466	490	941	0:SP3_SP2_SP3	C[6,6]	C	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-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(C[6,6]C[4,6,6]C[6,6]N)(CF3)(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(C[6,6]C[4,6,6]C[6,6]N)(CF3)(H)2	N(C[6,6]C[4,6,6]C[6,6]C)(COO)	108.9510	0.000	1	108.9510	0.000	1	108.9510	0.000	1	108.9510	0.000	1	108.9510	0.000	1	108.2187	9.295	29
466	490	941	0:SP3_SP2_SP3	C[6]	C	N	2:3:4:2:	4:4:4:1:	4:3:	O[6]-2:C[6]-3:C-4:N-2:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C-3:	C[6](O[6]C[6,6a])(C[6]O[6]O)(CCCH)(NC)	C(C[6]C[6]O[6]N)(CCHH)(CH3)(H)	N(C[6]C[6]O[6]C)(CC[6]O)	C[6](O[6]C[6,6a])(C[6]O[6]O)(CCCH)(NC){2|C<3>}	C(C[6]C[6]O[6]N)(CCHH)(CH3)(H)	N(C[6]C[6]O[6]C)(CC[6]O)	110.7110	0.000	1	110.7110	0.000	1	110.7110	0.000	1	110.7110	0.000	1	108.1926	9.618	28	108.2187	9.295	29
466	490	941	0:SP3_SP2_SP3	C[6]	C	N	3:2:4:2:	4:1:1:1:	4:4:	N[6]-3:O[6]-2:C-4:N-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-4:	C[6](N[6]C[6,6a]S)(O[6]C[6])(CH3)(NC)	C(C[6]N[6]O[6]N)(H)3	N(C[6]N[6]O[6]C)(CCHH)	C[6](N[6]C[6,6a]S)(O[6]C[6])(CH3)(NC){1|C<4>,3|C<3>}	C(C[6]N[6]O[6]N)(H)3	N(C[6]N[6]O[6]C)(CCHH)	113.1040	0.000	1	113.1040	0.000	1	113.1040	0.000	1	113.1040	0.000	1	108.1926	9.618	28	108.2187	9.295	29
466	490	941	0:SP3_SP2_SP3	C[6]	C	N	3:3:4:2:	4:4:1:1:	4:3:	C[6]-3:C[6]-3:C-4:N-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:S-3:	C[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH)(NS)	C(C[6]C[6]2N)(CH3)(H)2	N(C[6]C[6]2C)(SCO)	C[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH)(NS){1|C<3>,2|H<1>}	C(C[6]C[6]2N)(CH3)(H)2	N(C[6]C[6]2C)(SCO)	107.2800	0.000	1	107.2800	0.000	1	107.2800	0.000	1	107.2800	0.000	1	108.1926	9.618	28	108.2187	9.295	29
466	490	941	0:SP3_SP2_SP3	C[6]	C	N	4:3:4:2:	3:4:1:1:	4:1:	C[6]-4:C[6]-3:C-4:N-2:	C[6a]-3:C[6]-4:H-1: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(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	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(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	N(C[6]C[6]2C)(C)	109.0750	0.000	1	109.0750	0.000	1	109.0750	0.000	1	109.0750	0.000	1	108.1926	9.618	28	108.2187	9.295	29
466	490	941	0:SP3_SP2_SP3	C[6]	C	N	4:3:4:2:	4:1:1:1:	4:2:	C[5,6]-4:C[6]-3:C-4:N-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N-2:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(NN)	C(C[6]C[5,6]C[6]N)(H)3	N(C[6]C[5,6]C[6]C)(NN)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(NN){1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[5,6]C[6]N)(H)3	N(C[6]C[5,6]C[6]C)(NN)	105.5883	3.316	3	104.9375	9.023	4	104.9375	9.023	4	106.1848	14.546	5	108.1926	9.618	28	108.2187	9.295	29
466	490	941	0:SP3_SP2_SP3	C[6]	C	N	4:3:4:2:	4:1:1:1:	4:2:	C[5,6]-4:C[6]-3:C-4:N-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N-2:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(NN)	C(C[6]C[5,6]C[6]N)(H)3	N(C[6]C[5,6]C[6]C)(NN)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(NN){1|O<2>,3|C<4>}	C(C[6]C[5,6]C[6]N)(H)3	N(C[6]C[5,6]C[6]C)(NN)	102.9850	0.000	1	104.9375	9.023	4	104.9375	9.023	4	106.1848	14.546	5	108.1926	9.618	28	108.2187	9.295	29
466	490	941	0:SP3_SP2_SP3	C[6]	C	N	4:3:4:2:	4:1:1:1:	4:2:	C[6,6]-4:C[6]-3:C-4:N-2:	C[6]-4:H-1:H-1: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(C[6]C[6,6]C[6]N)(H)3	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(C[6]C[6,6]C[6]N)(H)3	N(C[6]C[6,6]C[6]C)(NN)	111.1740	0.000	1	111.1740	0.000	1	111.1740	0.000	1	106.1848	14.546	5	108.1926	9.618	28	108.2187	9.295	29
466	490	941	0:SP3_SP2_SP3	C[6]	C	N	4:3:4:2:	4:1:1:1:	4:4:	C[6]-4:C[6]-3:C-4:N-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:S-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(NS)	C(C[6]C[6]2N)(H)3	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(C[6]C[6]2N)(H)3	N(C[6]C[6]2C)(SC[6a]OO)	103.9030	0.270	2	104.4563	0.955	3	104.4563	0.955	3	104.4563	0.955	3	108.1926	9.618	28	108.2187	9.295	29
466	490	941	0:SP3_SP2_SP3	C[6]	C	N	4:3:4:2:	4:1:1:1:	4:4:	C[6]-4:C[6]-3:C-4:N-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:S-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(NS)	C(C[6]C[6]2N)(H)3	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(C[6]C[6]2N)(H)3	N(C[6]C[6]2C)(SC[6a]OO)	105.5630	0.000	1	104.4563	0.955	3	104.4563	0.955	3	104.4563	0.955	3	108.1926	9.618	28	108.2187	9.295	29
466	490	941	0:SP3_SP2_SP3	C[6]	C	N	4:4:2:2:	4:3:3:2:	4:2:	C[6]-4:C-4:O[6]-2:N-2:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C[6]-4:N-2:	C[6](C[6]C[6]HN)(CC[6a]2O)(O[6]C[6])(NN)	C(C[6]C[6]O[6]N)(C[6a]C[6a]2)2(OSi)	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(C[6]C[6]O[6]N)(C[6a]C[6a]2)2(OSi)	N(C[6]C[6]O[6]C)(NN)	108.0960	0.000	1	108.0960	0.000	1	108.0960	0.000	1	108.0960	0.000	1	108.1926	9.618	28	108.2187	9.295	29
466	490	941	0:SP3_SP2_SP3	C[6]	C	N	4:4:4:2:	3:4:3:1:	4:2:	C[6]-4:C[6]-4:C-4:N-2:	C[6a]-3:C[6]-4:N-3:H-1:	C[6]-4:N-2:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HN)(NN)	C(C[6a]C[6a]2)(C[6]C[6]2N)(NCH)(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(C[6a]C[6a]2)(C[6]C[6]2N)(NCH)(H)	N(C[6]C[6]2C)(NN)	106.7240	0.629	2	106.7240	0.396	2	106.7240	0.396	2	106.7240	0.396	2	108.1926	9.618	28	108.2187	9.295	29
466	490	941	0:SP3_SP2_SP3	C[6]	C	N	4:4:4:2:	4:1:1:1:	4:1:	C[6,6]-4:C[6]-4:C-4:N-2:	C[6]-4:H-1: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(C[6]C[6,6]C[6]N)(H)3	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(C[6]C[6,6]C[6]N)(H)3	N(C[6]C[6,6]C[6]C)(C)	106.3010	0.397	3	106.3010	0.158	3	106.3010	0.158	3	106.3010	0.158	3	108.1926	9.618	28	108.2187	9.295	29
466	490	941	0:SP3_SP2_SP3	C[6]	C	N	4:4:4:2:	4:1:1:1:	4:2:	C[6]-4:C[6]-4:C-4:N-2:	C[6]-4:H-1: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(C[6]C[6]2N)(H)3	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(C[6]C[6]2N)(H)3	N(C[6]C[6]2C)(NN)	109.7730	0.000	1	109.7730	0.000	1	110.9917	0.737	6	110.9917	0.737	6	108.1926	9.618	28	108.2187	9.295	29
466	490	941	0:SP3_SP2_SP3	C[6]	C	N	4:4:4:2:	4:1:1:1:	4:2:	C[6]-4:C[6]-4:C-4:N-2:	C[6]-4:H-1: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(C[6]C[6]2N)(H)3	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(C[6]C[6]2N)(H)3	N(C[6]C[6]2C)(NN)	111.4370	0.000	1	111.4370	0.000	1	110.9917	0.737	6	110.9917	0.737	6	108.1926	9.618	28	108.2187	9.295	29
466	490	941	0:SP3_SP2_SP3	C[6]	C	N	4:4:4:2:	4:1:1:1:	4:2:	C[6]-4:C[6]-4:C-4:N-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N-2:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(NN)	C(C[6]C[6]2N)(H)3	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(C[6]C[6]2N)(H)3	N(C[6]C[6]2C)(NN)	110.3490	0.000	1	110.3490	0.000	1	110.9917	0.737	6	110.9917	0.737	6	108.1926	9.618	28	108.2187	9.295	29
466	490	941	0:SP3_SP2_SP3	C[6]	C	N	4:4:4:2:	4:1:1:1:	4:2:	C[6]-4:C[6]-4:C-4:N-2:	C[6]-4:H-1: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(C[6]C[6]2N)(H)3	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(C[6]C[6]2N)(H)3	N(C[6]C[6]2C)(NN)	111.4637	0.679	3	111.4637	0.461	3	110.9917	0.737	6	110.9917	0.737	6	108.1926	9.618	28	108.2187	9.295	29
466	490	941	0:SP3_SP2_SP3	C[6]	C	N	4:4:4:2:	4:1:1:1:	4:3:	C[6,6]-4:C[6]-4:C-4:N-2:	C[6]-4:H-1: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(C[6]C[6,6]C[6]N)(H)3	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(C[6]C[6,6]C[6]N)(H)3	N(C[6]C[6,6]C[6]C)(CC[6a]H)	113.2460	0.000	1	113.2460	0.000	1	113.2460	0.000	1	110.8515	11.467	2	108.1926	9.618	28	108.2187	9.295	29
466	490	941	0:SP3_SP2_SP3	C[6]	C	N	4:4:4:2:	4:1:1:1:	4:3:	C[6]-4:C[6]-4:C-4:N-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)2(CH3)(NC)	C(C[6]C[6]2N)(H)3	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(C[6]C[6]2N)(H)3	N(C[6]C[6]2C)(CCO)	108.4570	0.000	1	108.4570	0.000	1	108.4570	0.000	1	110.8515	11.467	2	108.1926	9.618	28	108.2187	9.295	29
466	490	941	0:SP3_SP2_SP3	C[6]	C	N	4:4:4:2:	4:1:1:1:	4:4:	C[6]-4:C[6]-4:C-4:N-2:	C[6]-4:H-1: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(C[6]C[6]2N)(H)3	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(C[6]C[6]2N)(H)3	N(C[6]C[6]2C)(SC[6a]OO)	105.8340	0.000	1	105.8340	0.000	1	105.8340	0.000	1	105.8340	0.000	1	108.1926	9.618	28	108.2187	9.295	29
466	490	941	0:SP3_SP2_SP3	C[6]	C	N	4:4:4:2:	4:4:4:1:	4:2:	C[6,6]-4:C[6]-4:C-4:N-2:	C[6]-4:C-4:C-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(C[6]C[6,6]C[6]N)(CHHO)(CF3)(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(C[6]C[6,6]C[6]N)(CHHO)(CF3)(H)	N(C[6]C[6,6]C[6]C)(NN)	110.9950	0.000	1	110.9950	0.000	1	110.9950	0.000	1	110.9950	0.000	1	108.1926	9.618	28	108.2187	9.295	29
466	490	942	0:SP3_SP-NON_SP3	C[3x6]	C	Ga[6,6]	3:3:3:4:	4:4:1:1:	4:4:4:	Ga[6,6]-3:Ga[6,6]-3:Ga[6,6]-3:C-4:	C[3x6]-4:C-4:H-1:H-1:	C[3x6]-4:C[3x6]-4:C-4:	C[3x6](Ga[6,6]C[3x6]C)3(CCHH)	C(C[3x6]Ga[6,6]3)(CCHH)(H)2	Ga[6,6](C[3x6]Ga[6,6]2C)2(CCHH)	C[3x6](Ga[6,6]C[3x6]C)3(CCHH){3|Ga<3>,3|C<4>}	C(C[3x6]Ga[6,6]3)(CCHH)(H)2	Ga[6,6](C[3x6]Ga[6,6]2C)2(CCHH){6|C<4>}	114.4588	2.514	11	114.4588	6.322	11	114.4588	6.322	11	114.4588	6.322	11	114.4588	6.322	11	114.4588	6.322	11
466	490	943	0:SP3_SP-NON_SP3	C[6,6]	C	Ga[3x6]	4:4:4:4:	4:3:1:1:	4:2:2:4:	Ga[3x6]-4:Ga[3x6]-4:Si-4:C-4:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[6,6]-4:H[6,6]-2:H[6,6]-2:C-4:	C[6,6](Ga[3x6]H[6,6]2C)2(SiC[6a]2C)(CC[6a]HH)	C(C[6,6]Ga[3x6]2Si)(C[6a]C[6a]2)(H)2	Ga[3x6](C[6,6]Ga[3x6]SiC)(H[6,6]Ga[3x6])2(CC3)	C[6,6](Ga[3x6]H[6,6]2C)2(SiC[6a]2C)(CC[6a]HH)	C(C[6,6]Ga[3x6]2Si)(C[6a]C[6a]2)(H)2	Ga[3x6](C[6,6]Ga[3x6]SiC)(H[6,6]Ga[3x6])2(CC3){1|C<4>,2|H<2>}	105.5220	5.227	4	105.5220	27.322	4	105.5220	27.322	4	105.5220	27.322	4	105.5220	27.322	4	105.5220	27.322	4
466	490	944	0:SP3_SP-NON_SP3	C[6]	C	I	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:I-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]I)(H)3	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(C[6]C[6,6]C[6]I)(H)3	I(C[6]C[6,6]C[6]C)	105.1400	0.000	1	105.1400	0.000	1	105.1400	0.000	1	105.1400	0.000	1	105.1400	0.000	1	105.1400	0.000	1
466	490	951	0:SP3_SP-NON_SP3	C[3x6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[4x6]-4:C[4x6]-4:C-4:H-1:	C[3x6]-4:H-1:H-1: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(C[3x6]C[4x6]2H)(H)3	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(C[3x6]C[4x6]2H)(H)3	H(C[3x6]C[4x6]2C)	106.8250	0.000	1	106.8250	0.000	1	106.8250	0.000	1	106.8250	0.000	1	106.8250	0.000	1	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	3:3:4:1:	4:1:1:1:	4:	C[6,6]-3:N[4x6]-3:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C)(N[4x6]C[3x6]2)(CH3)(H)	C(C[6,6]C[6,6]N[4x6]H)(H)3	H(C[6,6]C[6,6]N[4x6]C)	C[6,6](C[6,6]C[3x6]C)(N[4x6]C[3x6]2)(CH3)(H){1|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]N[4x6]H)(H)3	H(C[6,6]C[6,6]N[4x6]C)	107.0130	0.000	1	107.0653	0.033	4	107.0653	0.033	4	107.0653	0.033	4	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	3:3:4:1:	4:1:1:1:	4:	C[6,6]-3:N[4x6]-3:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C)(N[4x6]C[3x6]2)(CH3)(H)	C(C[6,6]C[6,6]N[4x6]H)(H)3	H(C[6,6]C[6,6]N[4x6]C)	C[6,6](C[6,6]C[3x6]C)(N[4x6]C[3x6]2)(CH3)(H){2|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]N[4x6]H)(H)3	H(C[6,6]C[6,6]N[4x6]C)	107.0827	0.219	3	107.0653	0.033	4	107.0653	0.033	4	107.0653	0.033	4	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	3:3:4:1:	4:3:1:1:	4:	N[6,6]-3:N[6,6]-3:C-4:H-1:	C[6,6]-4:C-3:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])2(CCHH)(H)	C(C[6,6]N[6,6]2H)(COO)(H)2	H(C[6,6]N[6,6]2C)	C[6,6](N[6,6]C[6,6a]C[6])2(CCHH)(H){4|C<3>,4|H<1>}	C(C[6,6]N[6,6]2H)(COO)(H)2	H(C[6,6]N[6,6]2C)	107.6860	0.000	1	107.6860	0.000	1	107.6860	0.000	1	107.6860	0.000	1	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	3:3:4:1:	4:3:2:1:	4:	N[3x6]-3:P[3x6]-3:C-4:H-1:	C[6,6]-4:C[6a]-3:O-2:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(CC[6a]HO)(H)	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)(OH)(H)	H(C[6,6]N[3x6]P[3x6]C)	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(CC[6a]HO)(H){2|N<3>,8|H<1>}	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)(OH)(H)	H(C[6,6]N[3x6]P[3x6]C)	106.3830	0.000	1	106.3830	0.000	1	106.3830	0.000	1	106.3830	0.000	1	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	3:3:4:1:	4:3:3:1:	4:	N[3x6]-3:P[3x6]-3:C-4:H-1:	C[6,6]-4:C[6a]-3:N-3:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(CC[6a]HN)(H)	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)(NC[6a]H)(H)	H(C[6,6]N[3x6]P[3x6]C)	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(CC[6a]HN)(H){2|N<3>,8|H<1>}	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)(NC[6a]H)(H)	H(C[6,6]N[3x6]P[3x6]C)	106.4525	0.163	2	106.4525	0.027	2	106.4525	0.027	2	106.4525	0.027	2	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	3:3:4:1:	4:3:3:3:	4:	N[3x6]-3:P[3x6]-3:C-4:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:N-3:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(CC[6a]2N)(H)	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)2(NC[6a]H)	H(C[6,6]N[3x6]P[3x6]C)	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(CC[6a]2N)(H){2|N<3>,8|H<1>}	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)2(NC[6a]H)	H(C[6,6]N[3x6]P[3x6]C)	102.7250	0.000	1	102.7250	0.000	1	102.7250	0.000	1	102.7250	0.000	1	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	3:3:4:1:	4:4:1:1:	4:	N[3x6]-3:N[3x6]-3:C-4:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(CCHH)(H)	C(C[6,6]N[3x6]2H)(CHHO)(H)2	H(C[6,6]N[3x6]2C)	C[6,6](N[3x6]C[6,6]2)2(CCHH)(H){1|N<4>,1|P<4>,8|H<1>}	C(C[6,6]N[3x6]2H)(CHHO)(H)2	H(C[6,6]N[3x6]2C)	104.8120	0.000	1	104.8120	0.000	1	104.8120	0.000	1	104.8120	0.000	1	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	3:3:4:1:	4:4:2:1:	4:	N[3x6]-3:P[3x6]-3:C-4:H-1:	C[6,6]-4:C[5]-4:O-2:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(CC[5]HO)(H)	C(C[6,6]N[3x6]P[3x6]H)(C[5]C[5]2Fe)(OH)(H)	H(C[6,6]N[3x6]P[3x6]C)	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(CC[5]HO)(H){2|N<3>,8|H<1>}	C(C[6,6]N[3x6]P[3x6]H)(C[5]C[5]2Fe)(OH)(H)	H(C[6,6]N[3x6]P[3x6]C)	105.7840	0.000	1	105.7840	0.000	1	105.7840	0.000	1	105.7840	0.000	1	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6,6,6a]-3:C[4,6,6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(CH3)(H)	C(C[6,6]C[6,6,6a]C[4,6,6]H)(H)3	H(C[6,6]C[6,6,6a]C[4,6,6]C)	C[6,6](C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(CH3)(H){2|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6,6a]C[4,6,6]H)(H)3	H(C[6,6]C[6,6,6a]C[4,6,6]C)	109.1790	0.000	1	109.1790	0.000	1	109.1790	0.000	1	107.8320	0.837	4	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6,6]-3:C[3x6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1: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(C[6,6]C[3x6]C[6,6]H)(H)3	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(C[6,6]C[3x6]C[6,6]H)(H)3	H(C[6,6]C[3x6]C[6,6]C)	107.2740	0.141	2	107.2740	0.020	2	107.2740	0.020	2	107.8320	0.837	4	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	3:4:4:1:	4:1:1:1:	4:	N[4x6]-3:C[6,6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1: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(C[6,6]C[6,6]N[4x6]H)(H)3	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(C[6,6]C[6,6]N[4x6]H)(H)3	H(C[6,6]C[6,6]N[4x6]C)	107.6010	0.000	1	107.6010	0.000	1	107.6010	0.000	1	107.8320	0.837	4	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	3:4:4:1:	4:3:1:1:	4:	C[6,6,6a]-3:C[4,6,6]-4:C-4:H-1:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(CC[6a]HH)(H)	C(C[6,6]C[6,6,6a]C[4,6,6]H)(C[6a]C[6a]2)(H)2	H(C[6,6]C[6,6,6a]C[4,6,6]C)	C[6,6](C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(CC[6a]HH)(H){2|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6,6a]C[4,6,6]H)(C[6a]C[6a]2)(H)2	H(C[6,6]C[6,6,6a]C[4,6,6]C)	104.6215	1.497	2	104.6215	2.241	2	104.6215	2.241	2	104.6215	2.241	2	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	3:4:4:1:	4:4:1:1:	4:	C[3x6]-3:C[6,6]-4:C-4:H-1:	C[6,6]-4:C-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(C[6,6]C[3x6]C[6,6]H)(CH3)(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(C[6,6]C[3x6]C[6,6]H)(CH3)(H)2	H(C[6,6]C[3x6]C[6,6]C)	107.8690	0.000	1	107.8690	0.000	1	107.8690	0.000	1	107.9590	0.016	2	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	3:4:4:1:	4:4:1:1:	4:	N[6,6]-3:C[3x6]-4:C-4:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(CCHH)(H)	C(C[6,6]C[3x6]N[6,6]H)(CH3)(H)2	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(C[6,6]C[3x6]N[6,6]H)(CH3)(H)2	H(C[6,6]C[3x6]N[6,6]C)	108.0490	0.000	1	108.0490	0.000	1	108.0490	0.000	1	107.9590	0.016	2	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	3:4:4:1:	4:4:4:1:	4:	C[6,6,6a]-3:C[4,6,6]-4:C-4:H-1:	C[6,6]-4:C-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(CCCH)(H)	C(C[6,6]C[6,6,6a]C[4,6,6]H)(CH3)2(H)	H(C[6,6]C[6,6,6a]C[4,6,6]C)	C[6,6](C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(CCCH)(H){2|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6,6a]C[4,6,6]H)(CH3)2(H)	H(C[6,6]C[6,6,6a]C[4,6,6]C)	107.7150	0.000	1	107.7150	0.000	1	107.7150	0.000	1	107.7150	0.000	1	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[3x6]-4:O[6,6]-2:C-4:H-1:	C[6,6]-4:H-1:H-1: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(C[6,6]C[3x6]O[6,6]H)(H)3	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(C[6,6]C[3x6]O[6,6]H)(H)3	H(C[6,6]C[3x6]O[6,6]C)	107.9580	0.000	1	107.6460	0.195	2	107.6460	0.195	2	107.2715	0.485	6	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[3x6]-4:O[6,6]-2:C-4:H-1:	C[6,6]-4:H-1:H-1: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(C[6,6]C[3x6]O[6,6]H)(H)3	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(C[6,6]C[3x6]O[6,6]H)(H)3	H(C[6,6]C[3x6]O[6,6]C)	107.3340	0.000	1	107.6460	0.195	2	107.6460	0.195	2	107.2715	0.485	6	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[4x6]-4:O[6,6]-2:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]2C[6,6])(O[6,6]C[3x6])(CH3)(H)	C(C[6,6]C[4x6]O[6,6]H)(H)3	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(C[6,6]C[4x6]O[6,6]H)(H)3	H(C[6,6]C[4x6]O[6,6]C)	108.2470	0.000	1	108.2470	0.000	1	108.2470	0.000	1	107.2715	0.485	6	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5,3x6]-4:O[6,6]-2:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]2C)(O[6,6]P[3x6])(CH3)(H)	C(C[6,6]C[5,3x6]O[6,6]H)(H)3	H(C[6,6]C[5,3x6]O[6,6]C)	C[6,6](C[5,3x6]C[5,6,6]2C)(O[6,6]P[3x6])(CH3)(H){1|Cr<6>,1|O<2>,2|C<3>,3|C<4>}	C(C[6,6]C[5,3x6]O[6,6]H)(H)3	H(C[6,6]C[5,3x6]O[6,6]C)	106.7370	0.000	1	106.6967	0.004	3	106.6967	0.004	3	107.2715	0.485	6	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5,3x6]-4:O[6,6]-2:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]2C)(O[6,6]P[3x6])(CH3)(H)	C(C[6,6]C[5,3x6]O[6,6]H)(H)3	H(C[6,6]C[5,3x6]O[6,6]C)	C[6,6](C[5,3x6]C[5,6,6]2C)(O[6,6]P[3x6])(CH3)(H){1|Mo<6>,1|O<2>,2|C<3>,3|C<4>}	C(C[6,6]C[5,3x6]O[6,6]H)(H)3	H(C[6,6]C[5,3x6]O[6,6]C)	106.7280	0.000	1	106.6967	0.004	3	106.6967	0.004	3	107.2715	0.485	6	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5,3x6]-4:O[6,6]-2:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]2C)(O[6,6]P[3x6])(CH3)(H)	C(C[6,6]C[5,3x6]O[6,6]H)(H)3	H(C[6,6]C[5,3x6]O[6,6]C)	C[6,6](C[5,3x6]C[5,6,6]2C)(O[6,6]P[3x6])(CH3)(H){1|O<2>,1|W<6>,2|C<3>,3|C<4>}	C(C[6,6]C[5,3x6]O[6,6]H)(H)3	H(C[6,6]C[5,3x6]O[6,6]C)	106.6250	0.000	1	106.6967	0.004	3	106.6967	0.004	3	107.2715	0.485	6	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[3x6]-4:C[6,6]-3:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(CH3)(H)	C(C[6,6]C[3x6]C[6,6]H)(H)3	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(C[6,6]C[3x6]C[6,6]H)(H)3	H(C[6,6]C[3x6]C[6,6]C)	108.4990	0.000	1	108.4990	0.000	1	108.2900	0.036	3	107.8917	1.389	6	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[3x6]-4:C[6,6]-3:C-4:H-1:	C[6,6]-4:H-1: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]O)(CH3)(H)	C(C[6,6]C[3x6]C[6,6]H)(H)3	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(C[6,6]C[3x6]C[6,6]H)(H)3	H(C[6,6]C[3x6]C[6,6]C)	108.1855	0.083	2	108.1855	0.007	2	108.2900	0.036	3	107.8917	1.389	6	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[3x6]-4:N[6,6]-3:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(CH3)(H)	C(C[6,6]C[3x6]N[6,6]H)(H)3	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(C[6,6]C[3x6]N[6,6]H)(H)3	H(C[6,6]C[3x6]N[6,6]C)	109.0280	0.000	1	109.0280	0.000	1	109.0280	0.000	1	107.8917	1.389	6	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[4,6,6]-4:C[3x6]-3:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(CH3)(H)	C(C[6,6]C[4,6,6]C[3x6]H)(H)3	H(C[6,6]C[4,6,6]C[3x6]C)	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(CH3)(H){1|Re<6>,2|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[4,6,6]C[3x6]H)(H)3	H(C[6,6]C[4,6,6]C[3x6]C)	107.8190	0.000	1	107.8190	0.000	1	107.8190	0.000	1	107.8917	1.389	6	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6,6]-4:N[4x6]-3:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]ClH)(N[4x6]C[3x6]2)(CH3)(H)	C(C[6,6]C[6,6]N[4x6]H)(H)3	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(C[6,6]C[6,6]N[4x6]H)(H)3	H(C[6,6]C[6,6]N[4x6]C)	105.6330	0.000	1	105.6330	0.000	1	105.6330	0.000	1	107.8917	1.389	6	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:3:4:1:	4:2:1:1:	4:	C[3x6]-4:C[6,6]-3:C-4:H-1:	C[6,6]-4:O-2: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]N)(CHHO)(H)	C(C[6,6]C[3x6]C[6,6]H)(OC)(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]N)(CHHO)(H){1|O<2>,2|C<3>,2|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(OC)(H)2	H(C[6,6]C[3x6]C[6,6]C)	108.7640	0.000	1	108.7640	0.000	1	108.7640	0.000	1	108.7640	0.000	1	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[3x6]-4:N[6,6]-3:C-4:H-1:	C[6,6]-4:C-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(CCHH)(H)	C(C[6,6]C[3x6]N[6,6]H)(CCO)(H)2	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(C[6,6]C[3x6]N[6,6]H)(CCO)(H)2	H(C[6,6]C[3x6]N[6,6]C)	108.4890	0.000	1	108.4890	0.000	1	108.4890	0.000	1	107.2790	4.808	11	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[3x6]-4:N[6,6]-3:C-4:H-1:	C[6,6]-4:C[5a]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]C)(CC[5a]HH)(H)	C(C[6,6]C[3x6]N[6,6]H)(C[5a]C[5a,6a]C[5a])(H)2	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(C[6,6]C[3x6]N[6,6]H)(C[5a]C[5a,6a]C[5a])(H)2	H(C[6,6]C[3x6]N[6,6]C)	107.6605	0.177	2	107.6605	0.032	2	107.6605	0.032	2	107.2790	4.808	11	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[3x6]-4:N[6,6]-3:C-4:H-1:	C[6,6]-4:C[6a]-3:H-1: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(C[6,6]C[3x6]N[6,6]H)(C[6a]C[6a]2)(H)2	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(C[6,6]C[3x6]N[6,6]H)(C[6a]C[6a]2)(H)2	H(C[6,6]C[3x6]N[6,6]C)	108.3740	0.273	4	108.3740	0.075	4	108.5026	0.139	5	107.2790	4.808	11	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[3x6]-4:N[6,6]-3:C-4:H-1:	C[6,6]-4:C[6a]-3:H-1: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(C[6,6]C[3x6]N[6,6]H)(C[6a]C[6a]2)(H)2	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(C[6,6]C[3x6]N[6,6]H)(C[6a]C[6a]2)(H)2	H(C[6,6]C[3x6]N[6,6]C)	109.0170	0.000	1	109.0170	0.000	1	108.5026	0.139	5	107.2790	4.808	11	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[4,6,6]-4:C[6,6]-3:C-4:H-1:	C[6,6]-4:N-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]H)(CHHN)(H)	C(C[6,6]C[4,6,6]C[6,6]H)(NPdC)(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]H)(CHHN)(H){3|C<4>,4|H<1>}	C(C[6,6]C[4,6,6]C[6,6]H)(NPdC)(H)2	H(C[6,6]C[4,6,6]C[6,6]C)	105.7640	0.000	1	105.7640	0.000	1	105.7640	0.000	1	107.2790	4.808	11	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C[6,6]-4:C[6a]-3:H-1:O-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(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(H)(O)	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(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(H)(O)	H(C[6,6]C[6,6]N[3x6]C)	106.6680	0.000	1	106.6680	0.000	1	106.6680	0.000	1	107.2790	4.808	11	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:3:4:1:	4:3:1:1:	4:	N[3x6]-4:C[6,6]-3:C-4:H-1:	C[6,6]-4:C[6]-3:H-1:O-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CC[6]HO)(H)	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(H)(O)	H(C[6,6]C[6,6]N[3x6]C)	C[6,6](N[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CC[6]HO)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(H)(O)	H(C[6,6]C[6,6]N[3x6]C)	101.3140	0.000	1	101.3140	0.000	1	101.3140	0.000	1	107.2790	4.808	11	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:3:4:1:	4:3:2:1:	4:	C[6,6]-4:C[6,6]-3:C-4:H-1:	C[6,6]-4:C[6a]-3: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]C)(CC[6a]HO)(H)	C(C[6,6]C[6,6]2H)(C[6a]C[6a]2)(OC)(H)	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(C[6,6]C[6,6]2H)(C[6a]C[6a]2)(OC)(H)	H(C[6,6]C[6,6]2C)	106.4380	0.000	1	106.4380	0.000	1	106.4380	0.000	1	106.8604	0.459	20	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:3:4:1:	4:3:2:1:	4:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C[6,6]-4:C[6a]-3:N-2: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(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(NC)(H)	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(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(NC)(H)	H(C[6,6]C[6,6]N[3x6]C)	107.3980	0.000	1	107.3980	0.000	1	107.3980	0.000	1	106.8604	0.459	20	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:3:4:1:	4:3:2:1:	4:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C[6,6]-4:C[6a]-3:O-2: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(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OC)(H)	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(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OC)(H)	H(C[6,6]C[6,6]N[3x6]C)	106.8907	1.055	3	106.8907	1.114	3	106.9079	0.521	16	106.8604	0.459	20	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:3:4:1:	4:3:2:1:	4:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C[6,6]-4:C[6a]-3:O-2: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(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OH)(H)	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(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OH)(H)	H(C[6,6]C[6,6]N[3x6]C)	106.6843	0.608	10	106.6843	0.369	10	106.9079	0.521	16	106.8604	0.459	20	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:3:4:1:	4:3:2:1:	4:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C[6,6]-4:C[6a]-3:O-2: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(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OS)(H)	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(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OS)(H)	H(C[6,6]C[6,6]N[3x6]C)	107.6707	0.100	3	107.6707	0.010	3	106.9079	0.521	16	106.8604	0.459	20	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:3:4:1:	4:3:2:1:	4:	P[3x6]-4:N[3x6]-3:C-4:H-1:	C[6,6]-4:C[6a]-3:O-2:H-1:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(CC[6a]HO)(H)	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)(OH)(H)	H(C[6,6]N[3x6]P[3x6]C)	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(CC[6a]HO)(H){2|N<3>,8|H<1>}	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)(OH)(H)	H(C[6,6]N[3x6]P[3x6]C)	106.4880	0.000	1	106.4880	0.000	1	106.4230	0.008	2	106.8604	0.459	20	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:3:4:1:	4:3:2:1:	4:	P[3x6]-4:N[3x6]-3:C-4:H-1:	C[6,6]-4:C[6a]-3:O-2:H-1:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(CC[6a]HO)(H)	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)(OH)(H)	H(C[6,6]N[3x6]P[3x6]C)	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(CC[6a]HO)(H){2|N<3>,8|H<1>}	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)(OH)(H)	H(C[6,6]N[3x6]P[3x6]C)	106.3580	0.000	1	106.3580	0.000	1	106.4230	0.008	2	106.8604	0.459	20	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:3:4:1:	4:3:3:1:	4:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C[6,6]-4:C[6a]-3:N-3: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(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(NCH)(H)	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(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(NCH)(H)	H(C[6,6]C[6,6]N[3x6]C)	107.2728	0.195	4	107.2728	0.038	4	107.3893	0.124	6	107.4921	0.177	7	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:3:4:1:	4:3:3:1:	4:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C[6,6]-4:C[6a]-3:N-3: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(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(NC[4a]H)(H)	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(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(NC[4a]H)(H)	H(C[6,6]C[6,6]N[3x6]C)	107.2090	0.000	1	107.2090	0.000	1	107.3893	0.124	6	107.4921	0.177	7	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:3:4:1:	4:3:3:1:	4:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C[6,6]-4:C[6a]-3:N-3: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(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(NHS)(H)	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(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(NHS)(H)	H(C[6,6]C[6,6]N[3x6]C)	108.0360	0.000	1	108.0360	0.000	1	107.3893	0.124	6	107.4921	0.177	7	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:3:4:1:	4:3:3:1:	4:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C[6,6]-4:C[6a]-3:N[5]-3: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(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)	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(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)	H(C[6,6]C[6,6]N[3x6]C)	108.1090	0.000	1	108.1090	0.000	1	108.1090	0.000	1	107.4921	0.177	7	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:3:4:1:	4:3:3:2:	4:	P[3x6]-4:N[3x6]-3:C-4:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:O-2:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(CC[6a]2O)(H)	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)2(OH)	H(C[6,6]N[3x6]P[3x6]C)	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(CC[6a]2O)(H){2|N<3>,8|H<1>}	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)2(OH)	H(C[6,6]N[3x6]P[3x6]C)	106.5590	0.000	1	106.5590	0.000	1	106.4657	0.031	3	106.4657	0.031	3	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:3:4:1:	4:3:3:2:	4:	P[3x6]-4:N[3x6]-3:C-4:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:O-2:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(CC[6a]2O)(H)	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)2(OH)	H(C[6,6]N[3x6]P[3x6]C)	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(CC[6a]2O)(H){2|N<3>,8|H<1>}	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)2(OH)	H(C[6,6]N[3x6]P[3x6]C)	106.4190	0.223	2	106.4190	0.050	2	106.4657	0.031	3	106.4657	0.031	3	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:3:4:1:	4:3:3:3:	4:	C[4,6,6]-4:C[6,6]-3:C-4:H-1:	C[6,6]-4:C[6a]-3:N-3:C-3:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CC[6a]CN)(H)	C(C[6,6]C[4,6,6]C[6,6]H)(C[6a]C[6a]2)(NC[6a]H)(COO)	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]H)(CC[6a]CN)(H){2|H<1>,4|C<4>}	C(C[6,6]C[4,6,6]C[6,6]H)(C[6a]C[6a]2)(NC[6a]H)(COO)	H(C[6,6]C[4,6,6]C[6,6]C)	100.4485	0.254	2	100.4485	0.064	2	100.4485	0.064	2	100.4485	0.064	2	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:3:4:1:	4:3:4:1:	4:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C[6,6]-4:C[6a]-3:C-4: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(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(CC[6,6]C[6a]H)(H)	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(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(CC[6,6]C[6a]H)(H)	H(C[6,6]C[6,6]N[3x6]C)	107.2880	0.331	2	107.2880	0.110	2	107.2880	0.110	2	107.2880	0.110	2	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:3:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-3:C-4:H-1:	C[6,6]-4:C-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]C)(CCHO)(H)	C(C[6,6]C[6,6]2H)(CC3)(OC)(H)	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(C[6,6]C[6,6]2H)(CC3)(OC)(H)	H(C[6,6]C[6,6]2C)	104.1140	0.000	1	104.1140	0.000	1	104.1140	0.000	1	104.1140	0.000	1	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:3:4:1:	4:4:3:2:	4:	C[6,6]-4:C[6,6]-3:C-4:H-1:	C[6,6]-4:C-4:C-3:O-2:	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(C[6,6]C[6,6]2H)(CH3)(COO)(OH)	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(C[6,6]C[6,6]2H)(CH3)(COO)(OH)	H(C[6,6]C[6,6]2C)	106.0410	0.197	2	106.0410	0.039	2	106.0410	0.039	2	106.0410	0.039	2	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1: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(C[6,6]C[3x6]2H)(H)3	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(C[6,6]C[3x6]2H)(H)3	H(C[6,6]C[3x6]2C)	107.4200	0.000	1	107.2670	0.047	2	106.7864	0.971	9	107.0085	5.942	106	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1: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(C[6,6]C[3x6]2H)(H)3	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(C[6,6]C[3x6]2H)(H)3	H(C[6,6]C[3x6]2C)	107.1140	0.000	1	107.2670	0.047	2	106.7864	0.971	9	107.0085	5.942	106	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(CH3)(H)	C(C[6,6]C[3x6]2H)(H)3	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(C[6,6]C[3x6]2H)(H)3	H(C[6,6]C[3x6]2C)	105.6130	1.369	2	105.6130	1.874	2	106.7864	0.971	9	107.0085	5.942	106	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1: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(C[6,6]C[3x6]2H)(H)3	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(C[6,6]C[3x6]2H)(H)3	H(C[6,6]C[3x6]2C)	107.0430	0.000	1	107.0430	0.000	1	106.7864	0.971	9	107.0085	5.942	106	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1: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(C[6,6]C[3x6]2H)(H)3	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(C[6,6]C[3x6]2H)(H)3	H(C[6,6]C[3x6]2C)	108.2440	0.000	1	108.2440	0.000	1	106.7864	0.971	9	107.0085	5.942	106	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	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(C[6,6]C[3x6]2H)(H)3	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(C[6,6]C[3x6]2H)(H)3	H(C[6,6]C[3x6]2C)	106.4355	0.243	2	106.4355	0.059	2	106.7864	0.971	9	107.0085	5.942	106	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	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(C[6,6]C[3x6]2H)(H)3	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(C[6,6]C[3x6]2H)(H)3	H(C[6,6]C[3x6]2C)	107.1600	0.000	1	107.1600	0.000	1	106.7864	0.971	9	107.0085	5.942	106	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3x6]-4:C[5,6,6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1: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(C[6,6]C[5,6,6]C[3x6]H)(H)3	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(C[6,6]C[5,6,6]C[3x6]H)(H)3	H(C[6,6]C[5,6,6]C[3x6]C)	108.5020	0.000	1	108.5020	0.000	1	108.5020	0.000	1	107.0085	5.942	106	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:H-1: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(C[6,6]C[3x6]C[6,6]H)(H)3	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(C[6,6]C[3x6]C[6,6]H)(H)3	H(C[6,6]C[3x6]C[6,6]C)	108.4260	0.000	1	103.3511	51.510	2	106.3090	17.760	32	107.0085	5.942	106	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:H-1: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(C[6,6]C[3x6]C[6,6]H)(H)3	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(C[6,6]C[3x6]C[6,6]H)(H)3	H(C[6,6]C[3x6]C[6,6]C)	98.2761	0.000	1	103.3511	51.510	2	106.3090	17.760	32	107.0085	5.942	106	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:H-1: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(C[6,6]C[3x6]C[6,6]H)(H)3	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(C[6,6]C[3x6]C[6,6]H)(H)3	H(C[6,6]C[3x6]C[6,6]C)	108.2400	0.000	1	108.2400	0.000	1	106.3090	17.760	32	107.0085	5.942	106	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:H-1: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]C[6a]H)(CH3)(H)	C(C[6,6]C[3x6]C[6,6]H)(H)3	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(C[6,6]C[3x6]C[6,6]H)(H)3	H(C[6,6]C[3x6]C[6,6]C)	108.3150	0.000	1	108.3150	0.000	1	106.3090	17.760	32	107.0085	5.942	106	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:H-1: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(C[6,6]C[3x6]C[6,6]H)(H)3	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(C[6,6]C[3x6]C[6,6]H)(H)3	H(C[6,6]C[3x6]C[6,6]C)	107.1740	0.065	3	106.8979	0.314	14	106.3090	17.760	32	107.0085	5.942	106	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:H-1: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(C[6,6]C[3x6]C[6,6]H)(H)3	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(C[6,6]C[3x6]C[6,6]H)(H)3	H(C[6,6]C[3x6]C[6,6]C)	106.5510	0.451	8	106.8979	0.314	14	106.3090	17.760	32	107.0085	5.942	106	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:H-1: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(C[6,6]C[3x6]C[6,6]H)(H)3	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(C[6,6]C[3x6]C[6,6]H)(H)3	H(C[6,6]C[3x6]C[6,6]C)	107.5180	0.000	1	106.8979	0.314	14	106.3090	17.760	32	107.0085	5.942	106	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:H-1: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(C[6,6]C[3x6]C[6,6]H)(H)3	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(C[6,6]C[3x6]C[6,6]H)(H)3	H(C[6,6]C[3x6]C[6,6]C)	107.8740	0.000	1	106.8979	0.314	14	106.3090	17.760	32	107.0085	5.942	106	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:H-1: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(C[6,6]C[3x6]C[6,6]H)(H)3	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(C[6,6]C[3x6]C[6,6]H)(H)3	H(C[6,6]C[3x6]C[6,6]C)	107.2490	0.000	1	106.8979	0.314	14	106.3090	17.760	32	107.0085	5.942	106	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CH3)(H)	C(C[6,6]C[3x6]C[6,6]H)(H)3	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(C[6,6]C[3x6]C[6,6]H)(H)3	H(C[6,6]C[3x6]C[6,6]C)	108.2870	0.000	1	108.2870	0.000	1	106.3090	17.760	32	107.0085	5.942	106	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:H-1: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(C[6,6]C[3x6]C[6,6]H)(H)3	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(C[6,6]C[3x6]C[6,6]H)(H)3	H(C[6,6]C[3x6]C[6,6]C)	107.5430	0.000	1	107.5430	0.000	1	106.3090	17.760	32	107.0085	5.942	106	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:H-1: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(C[6,6]C[3x6]C[6,6]H)(H)3	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(C[6,6]C[3x6]C[6,6]H)(H)3	H(C[6,6]C[3x6]C[6,6]C)	85.3557	0.000	1	85.3557	0.000	1	106.3090	17.760	32	107.0085	5.942	106	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:H-1: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(C[6,6]C[3x6]C[6,6]H)(H)3	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(C[6,6]C[3x6]C[6,6]H)(H)3	H(C[6,6]C[3x6]C[6,6]C)	107.8270	0.000	1	107.8270	0.000	1	106.3090	17.760	32	107.0085	5.942	106	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:H-1: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(C[6,6]C[3x6]C[6,6]H)(H)3	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(C[6,6]C[3x6]C[6,6]H)(H)3	H(C[6,6]C[3x6]C[6,6]C)	107.5200	0.000	1	107.5200	0.000	1	106.3090	17.760	32	107.0085	5.942	106	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:H-1: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(C[6,6]C[3x6]C[6,6]H)(H)3	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(C[6,6]C[3x6]C[6,6]H)(H)3	H(C[6,6]C[3x6]C[6,6]C)	107.8105	0.346	2	107.8105	0.120	2	106.3090	17.760	32	107.0085	5.942	106	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:H-1: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(C[6,6]C[3x6]C[6,6]H)(H)3	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(C[6,6]C[3x6]C[6,6]H)(H)3	H(C[6,6]C[3x6]C[6,6]C)	108.6335	0.371	2	108.6335	0.138	2	106.3090	17.760	32	107.0085	5.942	106	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:H-1: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]CC)(CH3)(H)	C(C[6,6]C[3x6]C[6,6]H)(H)3	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(C[6,6]C[3x6]C[6,6]H)(H)3	H(C[6,6]C[3x6]C[6,6]C)	106.4085	0.105	2	106.5278	0.203	5	106.3090	17.760	32	107.0085	5.942	106	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:H-1: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]CC)(CH3)(H)	C(C[6,6]C[3x6]C[6,6]H)(H)3	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(C[6,6]C[3x6]C[6,6]H)(H)3	H(C[6,6]C[3x6]C[6,6]C)	106.3205	0.508	2	106.5278	0.203	5	106.3090	17.760	32	107.0085	5.942	106	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:H-1: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]CC)(CH3)(H)	C(C[6,6]C[3x6]C[6,6]H)(H)3	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(C[6,6]C[3x6]C[6,6]H)(H)3	H(C[6,6]C[3x6]C[6,6]C)	107.1810	0.000	1	106.5278	0.203	5	106.3090	17.760	32	107.0085	5.942	106	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[4,6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:H-1: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]BH)(CH3)(H)	C(C[6,6]C[4,6,6]C[6,6]H)(H)3	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(C[6,6]C[4,6,6]C[6,6]H)(H)3	H(C[6,6]C[4,6,6]C[6,6]C)	107.4057	1.097	3	107.4057	1.202	3	106.8945	0.203	23	107.0085	5.942	106	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[4,6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:H-1: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]HN)(CH3)(H)	C(C[6,6]C[4,6,6]C[6,6]H)(H)3	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(C[6,6]C[4,6,6]C[6,6]H)(H)3	H(C[6,6]C[4,6,6]C[6,6]C)	106.8350	0.240	19	106.8350	0.058	19	106.8945	0.203	23	107.0085	5.942	106	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[4,6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:H-1: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]HO)(CH3)(H)	C(C[6,6]C[4,6,6]C[6,6]H)(H)3	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(C[6,6]C[4,6,6]C[6,6]H)(H)3	H(C[6,6]C[4,6,6]C[6,6]C)	106.4920	0.000	1	106.4920	0.000	1	106.8945	0.203	23	107.0085	5.942	106	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[4x6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	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(C[6,6]C[3x6]C[4x6]H)(H)3	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(C[6,6]C[3x6]C[4x6]H)(H)3	H(C[6,6]C[3x6]C[4x6]C)	107.5940	0.000	1	107.5940	0.000	1	107.5940	0.000	1	107.0085	5.942	106	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[4x6]-4:C[5,6,6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	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(C[6,6]C[5,6,6]C[4x6]H)(H)3	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(C[6,6]C[5,6,6]C[4x6]H)(H)3	H(C[6,6]C[5,6,6]C[4x6]C)	108.3910	0.000	1	108.2183	0.084	3	108.2183	0.084	3	107.0085	5.942	106	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[4x6]-4:C[5,6,6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	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(C[6,6]C[5,6,6]C[4x6]H)(H)3	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(C[6,6]C[5,6,6]C[4x6]H)(H)3	H(C[6,6]C[5,6,6]C[4x6]C)	108.3810	0.000	1	108.2183	0.084	3	108.2183	0.084	3	107.0085	5.942	106	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[4x6]-4:C[5,6,6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	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(C[6,6]C[5,6,6]C[4x6]H)(H)3	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(C[6,6]C[5,6,6]C[4x6]H)(H)3	H(C[6,6]C[5,6,6]C[4x6]C)	107.8830	0.000	1	108.2183	0.084	3	108.2183	0.084	3	107.0085	5.942	106	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:H-1: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(C[6,6]C[4x6]C[6,6]H)(H)3	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(C[6,6]C[4x6]C[6,6]H)(H)3	H(C[6,6]C[4x6]C[6,6]C)	107.9656	0.277	8	108.0232	0.060	13	107.9305	0.093	17	107.0085	5.942	106	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:H-1: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(C[6,6]C[4x6]C[6,6]H)(H)3	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(C[6,6]C[4x6]C[6,6]H)(H)3	H(C[6,6]C[4x6]C[6,6]C)	108.0553	0.174	3	108.0232	0.060	13	107.9305	0.093	17	107.0085	5.942	106	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:H-1: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(C[6,6]C[4x6]C[6,6]H)(H)3	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(C[6,6]C[4x6]C[6,6]H)(H)3	H(C[6,6]C[4x6]C[6,6]C)	108.3040	0.000	1	108.0232	0.060	13	107.9305	0.093	17	107.0085	5.942	106	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:H-1: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(C[6,6]C[4x6]C[6,6]H)(H)3	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(C[6,6]C[4x6]C[6,6]H)(H)3	H(C[6,6]C[4x6]C[6,6]C)	108.1070	0.000	1	108.0232	0.060	13	107.9305	0.093	17	107.0085	5.942	106	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:H-1: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]HO)(CH3)(H)	C(C[6,6]C[4x6]C[6,6]H)(H)3	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(C[6,6]C[4x6]C[6,6]H)(H)3	H(C[6,6]C[4x6]C[6,6]C)	107.5930	0.372	3	107.6290	0.097	4	107.9305	0.093	17	107.0085	5.942	106	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:H-1: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]HO)(CH3)(H)	C(C[6,6]C[4x6]C[6,6]H)(H)3	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(C[6,6]C[4x6]C[6,6]H)(H)3	H(C[6,6]C[4x6]C[6,6]C)	107.7370	0.000	1	107.6290	0.097	4	107.9305	0.093	17	107.0085	5.942	106	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1: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(C[6,6]C[5,3x6]C[6,6]H)(H)3	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(C[6,6]C[5,3x6]C[6,6]H)(H)3	H(C[6,6]C[5,3x6]C[6,6]C)	107.5948	0.120	4	107.5948	0.014	4	107.5948	0.014	4	107.0085	5.942	106	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6,6]-4:C[5,6,6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6,6]C[5,6]O[5,6]H)(CH3)(H)	C(C[6,6]C[5,6,6]2H)(H)3	H(C[6,6]C[5,6,6]2C)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6,6]C[5,6]O[5,6]H)(CH3)(H){4|C<4>,4|H<1>}	C(C[6,6]C[5,6,6]2H)(H)3	H(C[6,6]C[5,6,6]2C)	105.4920	0.000	1	105.4920	0.000	1	105.6415	0.045	2	107.0085	5.942	106	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6,6]-4:C[5,6,6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[5,6,6]C[5,6]2H)(CH3)(H)	C(C[6,6]C[5,6,6]2H)(H)3	H(C[6,6]C[5,6,6]2C)	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[5,6,6]C[5,6]2H)(CH3)(H){4|C<4>,4|H<1>}	C(C[6,6]C[5,6,6]2H)(H)3	H(C[6,6]C[5,6,6]2C)	105.7910	0.000	1	105.7910	0.000	1	105.6415	0.045	2	107.0085	5.942	106	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1: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(C[6,6]C[5,6,6]C[6,6]H)(H)3	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(C[6,6]C[5,6,6]C[6,6]H)(H)3	H(C[6,6]C[5,6,6]C[6,6]C)	107.9560	0.000	1	107.9560	0.000	1	108.0545	0.019	2	107.0085	5.942	106	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1: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(C[6,6]C[5,6,6]C[6,6]H)(H)3	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(C[6,6]C[5,6,6]C[6,6]H)(H)3	H(C[6,6]C[5,6,6]C[6,6]C)	108.1530	0.000	1	108.1530	0.000	1	108.0545	0.019	2	107.0085	5.942	106	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[4,6,6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1: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(C[6,6]C[4,6,6]C[6,6]H)(H)3	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(C[6,6]C[4,6,6]C[6,6]H)(H)3	H(C[6,6]C[4,6,6]C[6,6]C)	105.7735	2.087	2	105.7735	4.354	2	106.8868	1.619	6	107.0085	5.942	106	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[4,6,6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1: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(C[6,6]C[4,6,6]C[6,6]H)(H)3	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(C[6,6]C[4,6,6]C[6,6]H)(H)3	H(C[6,6]C[4,6,6]C[6,6]C)	107.4435	0.084	4	107.4435	0.007	4	106.8868	1.619	6	107.0085	5.942	106	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:H-1: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]N[6]H)(CH3)(H)	C(C[6,6]C[6,6]2H)(H)3	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(C[6,6]C[6,6]2H)(H)3	H(C[6,6]C[6,6]2C)	106.7070	0.000	1	106.7070	0.000	1	107.9018	0.511	5	107.0085	5.942	106	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1: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(C[6,6]C[6,6]2H)(H)3	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(C[6,6]C[6,6]2H)(H)3	H(C[6,6]C[6,6]2C)	108.2730	0.000	1	108.2730	0.000	1	107.9018	0.511	5	107.0085	5.942	106	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1: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(C[6,6]C[6,6]2H)(H)3	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(C[6,6]C[6,6]2H)(H)3	H(C[6,6]C[6,6]2C)	108.0160	0.000	1	108.0160	0.000	1	107.9018	0.511	5	107.0085	5.942	106	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)2(CH3)(H)	C(C[6,6]C[6,6]2H)(H)3	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(C[6,6]C[6,6]2H)(H)3	H(C[6,6]C[6,6]2C)	108.5850	0.000	1	108.5850	0.000	1	107.9018	0.511	5	107.0085	5.942	106	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1: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(C[6,6]C[6,6]2H)(H)3	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(C[6,6]C[6,6]2H)(H)3	H(C[6,6]C[6,6]2C)	107.9280	0.000	1	107.9280	0.000	1	107.9018	0.511	5	107.0085	5.942	106	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6]-4:H-1: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(C[6,6]C[6,6]N[3x6]H)(H)3	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(C[6,6]C[6,6]N[3x6]H)(H)3	H(C[6,6]C[6,6]N[3x6]C)	107.1880	0.000	1	107.1880	0.000	1	107.1880	0.000	1	107.0085	5.942	106	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:O-2:H-1: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(C[6,6]C[3x6]2H)(OH)(H)2	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(C[6,6]C[3x6]2H)(OH)(H)2	H(C[6,6]C[3x6]2C)	107.7900	0.000	1	108.2575	0.437	2	108.2575	0.437	2	107.5122	0.503	30	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:O-2:H-1: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(C[6,6]C[3x6]2H)(OH)(H)2	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(C[6,6]C[3x6]2H)(OH)(H)2	H(C[6,6]C[3x6]2C)	108.7250	0.000	1	108.2575	0.437	2	108.2575	0.437	2	107.5122	0.503	30	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:O-2:H-1: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(C[6,6]C[3x6]C[6,6]H)(OH)(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]N[4x6]CH)(CHHO)(H){3|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	108.0040	0.000	1	108.0040	0.000	1	107.4695	0.373	23	107.5122	0.503	30	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:O-2: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(C[6,6]C[3x6]C[6,6]H)(OH)(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(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	107.0515	0.832	4	107.0515	0.692	4	107.4695	0.373	23	107.5122	0.503	30	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:O-2:H-1: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(C[6,6]C[3x6]C[6,6]H)(OC)(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]CH)(CHHO)(H){1|H<1>,4|C<3>}	C(C[6,6]C[3x6]C[6,6]H)(OC)(H)2	H(C[6,6]C[3x6]C[6,6]C)	107.7425	0.416	4	107.7425	0.173	4	107.4695	0.373	23	107.5122	0.503	30	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:O-2:H-1: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(C[6,6]C[3x6]C[6,6]H)(OH)(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]CH)(CHHO)(H){1|H<1>,4|C<3>}	C(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	106.7395	0.515	2	106.9770	0.172	4	107.4695	0.373	23	107.5122	0.503	30	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:O-2:H-1: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(C[6,6]C[3x6]C[6,6]H)(OH)(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]CH)(CHHO)(H){1|Ir<6>,4|C<3>}	C(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	107.3230	0.000	1	106.9770	0.172	4	107.4695	0.373	23	107.5122	0.503	30	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:O-2:H-1: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(C[6,6]C[3x6]C[6,6]H)(OH)(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]CH)(CHHO)(H){1|Ru<6>,4|C<3>}	C(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	107.1060	0.000	1	106.9770	0.172	4	107.4695	0.373	23	107.5122	0.503	30	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:O-2:H-1: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(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	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(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	107.2060	0.000	1	107.2060	0.000	1	107.4695	0.373	23	107.5122	0.503	30	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:O-2:H-1: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(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	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(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	107.1350	0.000	1	107.1350	0.000	1	107.4695	0.373	23	107.5122	0.503	30	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CHHO)(H)	C(C[6,6]C[3x6]C[6,6]H)(OH)(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]CH)(CHHO)(H){1|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	107.8025	0.158	4	107.8025	0.025	4	107.4695	0.373	23	107.5122	0.503	30	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]CH)(CHHO)(H)	C(C[6,6]C[3x6]C[6,6]H)(OH)(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[4x6]CH)(CHHO)(H){1|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	107.2210	0.000	1	107.2210	0.000	1	107.4695	0.373	23	107.5122	0.503	30	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:O-2:H-1: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(C[6,6]C[3x6]C[6,6]H)(OC)(H)2	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(C[6,6]C[3x6]C[6,6]H)(OC)(H)2	H(C[6,6]C[3x6]C[6,6]C)	107.1890	0.000	1	107.1890	0.000	1	107.4695	0.373	23	107.5122	0.503	30	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:O-2: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(C[6,6]C[3x6]C[6,6]H)(OC[6a])(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(C[6,6]C[3x6]C[6,6]H)(OC[6a])(H)2	H(C[6,6]C[3x6]C[6,6]C)	107.9420	0.000	1	107.9420	0.000	1	107.4695	0.373	23	107.5122	0.503	30	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:O-2: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(C[6,6]C[3x6]C[6,6]H)(OH)(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(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	108.8070	0.000	1	108.8070	0.000	1	107.4695	0.373	23	107.5122	0.503	30	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:O-2: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]CH)(CHHO)(H)	C(C[6,6]C[4x6]C[6,6]H)(OH)(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]CH)(CHHO)(H){1|C<3>,3|C<4>,5|H<1>}	C(C[6,6]C[4x6]C[6,6]H)(OH)(H)2	H(C[6,6]C[4x6]C[6,6]C)	105.6660	0.000	1	105.6660	0.000	1	107.2610	1.427	4	107.5122	0.503	30	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:O-2: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(C[6,6]C[4x6]C[6,6]H)(OH)(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(C[6,6]C[4x6]C[6,6]H)(OH)(H)2	H(C[6,6]C[4x6]C[6,6]C)	107.7927	0.667	3	107.7927	0.444	3	107.2610	1.427	4	107.5122	0.503	30	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5,6,6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:O-2:H-1: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(C[6,6]C[5,6,6]C[3x6]H)(OH)(H)2	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(C[6,6]C[5,6,6]C[3x6]H)(OH)(H)2	H(C[6,6]C[5,6,6]C[3x6]C)	108.0080	0.000	1	108.0080	0.000	1	108.0080	0.000	1	107.5122	0.503	30	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:C-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6,6]C)(C[3x6]C[6,6]2C)(CCHH)(H)	C(C[6,6]C[3x6]2H)(COO)(H)2	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(C[6,6]C[3x6]2H)(COO)(H)2	H(C[6,6]C[3x6]2C)	106.9020	0.000	1	106.9020	0.000	1	106.9020	0.000	1	107.4499	1.244	35	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[3x6]-4:C[3x6]-4:C-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]O[6,6]C)(C[3x6]C[6,6]O[6,6]H)(CC[6]HH)(H)	C(C[6,6]C[3x6]2H)(C[6]C[6]2)(H)2	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(C[6,6]C[3x6]2H)(C[6]C[6]2)(H)2	H(C[6,6]C[3x6]2C)	107.0150	0.000	1	107.0150	0.000	1	107.0150	0.000	1	107.4499	1.244	35	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	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:C[6a]-3: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)(CC[6a]HH)(H)	C(C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]2)(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)(CC[6a]HH)(H){1|C<4>,1|H<1>,4|C<3>}	C(C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]2)(H)2	H(C[6,6]C[3x6]C[6,6]C)	106.8570	0.000	1	106.8570	0.000	1	106.8570	0.000	1	107.4499	1.244	35	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	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[5]-3:H-1: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(C[6,6]C[3x6]C[6,6]H)(N[5]C[5,6a]C[5])(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]CH)(CN[5]HH)(H){1|H<1>,4|C<3>}	C(C[6,6]C[3x6]C[6,6]H)(N[5]C[5,6a]C[5])(H)2	H(C[6,6]C[3x6]C[6,6]C)	107.7778	0.579	14	107.7778	0.336	14	107.7778	0.336	14	107.4499	1.244	35	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[3x6]-4:N[6,6]-4:C-4:H-1:	C[6,6]-4:C[6a]-3:H-1: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(C[6,6]C[3x6]N[6,6]H)(C[6a]C[6a]2)(H)2	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(C[6,6]C[3x6]N[6,6]H)(C[6a]C[6a]2)(H)2	H(C[6,6]C[3x6]N[6,6]C)	108.3165	0.057	2	108.3165	0.003	2	108.3165	0.003	2	107.4499	1.244	35	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[4,6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:N-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)(CHHN)(H)	C(C[6,6]C[4,6,6]C[6,6]H)(NCH)(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(C[6,6]C[4,6,6]C[6,6]H)(NCH)(H)2	H(C[6,6]C[4,6,6]C[6,6]C)	106.5730	0.031	2	106.5730	0.001	2	106.0860	2.335	7	107.4499	1.244	35	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[4,6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:N-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)(CHHN)(H)	C(C[6,6]C[4,6,6]C[6,6]H)(NPdC)(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(C[6,6]C[4,6,6]C[6,6]H)(NPdC)(H)2	H(C[6,6]C[4,6,6]C[6,6]C)	105.8912	1.827	5	105.8912	3.337	5	106.0860	2.335	7	107.4499	1.244	35	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(CCHH)(H)	C(C[6,6]C[6,6]2H)(CCH)(H)2	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(C[6,6]C[6,6]2H)(CCH)(H)2	H(C[6,6]C[6,6]2C)	107.1160	1.277	2	107.1160	1.631	2	107.7063	0.621	6	107.4499	1.244	35	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2N)2(CCHH)(H)	C(C[6,6]C[6,6]2H)(CC[6a]O)(H)2	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(C[6,6]C[6,6]2H)(CC[6a]O)(H)2	H(C[6,6]C[6,6]2C)	108.1695	0.148	2	108.1695	0.022	2	107.7063	0.621	6	107.4499	1.244	35	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C-3:H-1: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(C[6,6]C[6,6]2H)(CCH)(H)2	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(C[6,6]C[6,6]2H)(CCH)(H)2	H(C[6,6]C[6,6]2C)	107.8335	0.542	2	107.8335	0.294	2	107.7063	0.621	6	107.4499	1.244	35	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(CC[6a]HH)(H)	C(C[6,6]C[6,6]2H)(C[6a]C[6a]2)(H)2	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(C[6,6]C[6,6]2H)(C[6a]C[6a]2)(H)2	H(C[6,6]C[6,6]2C)	108.6070	0.000	1	108.6070	0.000	1	108.6070	0.000	1	107.4499	1.244	35	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6]-4:C[6a]-3: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(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a]2)(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(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a]2)(H)2	H(C[6,6]C[6,6]N[3x6]C)	108.5015	0.037	2	108.5015	0.001	2	108.5015	0.001	2	107.4499	1.244	35	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:3:2:1:	4:	C[6,6]-4:N[3x6]-4:C-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]HH)(N[3x6]C[6,6]2C)(CC[6]HO)(H)	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(OH)(H)	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(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(OH)(H)	H(C[6,6]C[6,6]N[3x6]C)	107.2442	0.549	4	107.2442	0.302	4	107.0095	0.893	15	106.8630	3.750	57	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:3:2:1:	4:	C[6,6]-4:N[3x6]-4:C-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]HH)(N[3x6]C[6,6]2H)(CC[6]HO)(H)	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(OH)(H)	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(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(OH)(H)	H(C[6,6]C[6,6]N[3x6]C)	106.9570	1.115	10	106.9570	1.242	10	107.0095	0.893	15	106.8630	3.750	57	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:3:2:1:	4:	C[6,6]-4:N[3x6]-4:C-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]HH)(N[3x6]C[6,6]2H)(CC[6]HO)(H)	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(OSi)(H)	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(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(OSi)(H)	H(C[6,6]C[6,6]N[3x6]C)	106.5960	0.000	1	106.5960	0.000	1	107.0095	0.893	15	106.8630	3.750	57	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:3:2:1:	4:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6]-4:C[6a]-3:O-2: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(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OH)(H)	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(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OH)(H)	H(C[6,6]C[6,6]N[3x6]C)	106.6835	0.177	4	106.6835	0.031	4	106.8229	5.049	40	106.8630	3.750	57	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:3:2:1:	4:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6]-4:C[6a]-3:O-2: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(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OH)(H)	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(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OH)(H)	H(C[6,6]C[6,6]N[3x6]C)	106.9425	0.550	6	106.9425	0.302	6	106.8229	5.049	40	106.8630	3.750	57	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:3:2:1:	4:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6]-4:C[6a]-3:O-2: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(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6,6a]C[6a])(OH)(H)	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(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6,6a]C[6a])(OH)(H)	H(C[6,6]C[6,6]N[3x6]C)	94.3521	0.000	1	94.3521	0.000	1	106.8229	5.049	40	106.8630	3.750	57	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:3:2:1:	4:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6]-4:C[6a]-3:O-2: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(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OH)(H)	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(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OH)(H)	H(C[6,6]C[6,6]N[3x6]C)	107.2474	1.108	29	107.2474	1.229	29	106.8229	5.049	40	106.8630	3.750	57	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:3:2:1:	4:	N[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6a]-3:O-2: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(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OAl)(H)	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(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OAl)(H)	H(C[6,6]C[6,6]N[3x6]C)	106.5665	0.199	2	106.5665	0.039	2	106.5665	0.039	2	106.8630	3.750	57	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:3:3:1:	4:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3: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(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	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(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	H(C[6,6]C[6,6]N[3x6]C)	108.5170	0.000	1	108.5170	0.000	1	108.5170	0.000	1	108.5170	0.000	1	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[3,6,6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:C-4:H-1:H-1:	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(C[6,6]C[3,6,6]C[3x6]H)(CC[5a]C[6a]H)(H)2	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(C[6,6]C[3,6,6]C[3x6]H)(CC[5a]C[6a]H)(H)2	H(C[6,6]C[3,6,6]C[3x6]C)	108.8490	0.000	1	108.8490	0.000	1	108.8925	0.004	2	107.4463	0.881	36	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[3,6,6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:C-4:H-1:H-1:	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(C[6,6]C[3,6,6]C[3x6]H)(CC[5a]C[6a]O)(H)2	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(C[6,6]C[3,6,6]C[3x6]H)(CC[5a]C[6a]O)(H)2	H(C[6,6]C[3,6,6]C[3x6]C)	108.9360	0.000	1	108.9360	0.000	1	108.8925	0.004	2	107.4463	0.881	36	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:C-4:H-1: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(C[6,6]C[3x6]2H)(CCHH)(H)2	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(C[6,6]C[3x6]2H)(CCHH)(H)2	H(C[6,6]C[3x6]2C)	105.8600	0.000	2	105.8600	0.000	2	106.4830	1.164	3	107.4463	0.881	36	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:C-4:H-1: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(C[6,6]C[3x6]2H)(CC[5]HH)(H)2	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(C[6,6]C[3x6]2H)(CC[5]HH)(H)2	H(C[6,6]C[3x6]2C)	107.7290	0.000	1	107.7290	0.000	1	106.4830	1.164	3	107.4463	0.881	36	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	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:C-4:Cl-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(C[6,6]C[3x6]C[6,6]H)(CCHH)(Cl)(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(C[6,6]C[3x6]C[6,6]H)(CCHH)(Cl)(H)	H(C[6,6]C[3x6]C[6,6]C)	108.2890	0.000	1	108.2890	0.000	1	108.2890	0.000	1	107.4463	0.881	36	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	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:C-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(CCHH)(H)	C(C[6,6]C[3x6]C[6,6]H)(CC[6a]HH)(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]CC)(CCHH)(H){1|C<3>,1|N<3>,4|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(CC[6a]HH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	107.4870	0.000	1	107.4870	0.000	1	107.5563	0.528	18	107.4463	0.881	36	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	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:C-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(C[6,6]C[3x6]C[6,6]H)(CH3)(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(C[6,6]C[3x6]C[6,6]H)(CH3)(H)2	H(C[6,6]C[3x6]C[6,6]C)	107.9130	0.088	2	107.5892	0.142	4	107.5563	0.528	18	107.4463	0.881	36	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	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:C-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(C[6,6]C[3x6]C[6,6]H)(CH3)(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(C[6,6]C[3x6]C[6,6]H)(CH3)(H)2	H(C[6,6]C[3x6]C[6,6]C)	107.2655	0.023	2	107.5892	0.142	4	107.5563	0.528	18	107.4463	0.881	36	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	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:C-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(C[6,6]C[3x6]C[6,6]H)(CSiHH)(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(C[6,6]C[3x6]C[6,6]H)(CSiHH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	108.0070	0.000	1	108.0070	0.000	1	107.5563	0.528	18	107.4463	0.881	36	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	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:C-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(C[6,6]C[3x6]C[6,6]H)(CH3)(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(C[6,6]C[3x6]C[6,6]H)(CH3)(H)2	H(C[6,6]C[3x6]C[6,6]C)	105.4830	0.000	1	107.5480	1.012	9	107.5563	0.528	18	107.4463	0.881	36	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	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:C-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(C[6,6]C[3x6]C[6,6]H)(CH3)(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(C[6,6]C[3x6]C[6,6]H)(CH3)(H)2	H(C[6,6]C[3x6]C[6,6]C)	107.5532	0.950	4	107.5480	1.012	9	107.5563	0.528	18	107.4463	0.881	36	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	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:C-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(C[6,6]C[3x6]C[6,6]H)(CH3)(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(C[6,6]C[3x6]C[6,6]H)(CH3)(H)2	H(C[6,6]C[3x6]C[6,6]C)	108.1093	0.160	3	107.5480	1.012	9	107.5563	0.528	18	107.4463	0.881	36	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	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:C-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(C[6,6]C[3x6]C[6,6]H)(CH3)(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(C[6,6]C[3x6]C[6,6]H)(CH3)(H)2	H(C[6,6]C[3x6]C[6,6]C)	107.9080	0.000	1	107.5480	1.012	9	107.5563	0.528	18	107.4463	0.881	36	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	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:C-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(C[6,6]C[3x6]C[6,6]H)(CHHO)(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(C[6,6]C[3x6]C[6,6]H)(CHHO)(H)2	H(C[6,6]C[3x6]C[6,6]C)	107.3170	0.000	1	107.3170	0.000	1	107.5563	0.528	18	107.4463	0.881	36	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	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:C-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(C[6,6]C[3x6]C[6,6]H)(CCHH)(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(C[6,6]C[3x6]C[6,6]H)(CCHH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	107.7410	0.000	1	107.7410	0.000	1	107.5563	0.528	18	107.4463	0.881	36	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	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:C-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]CH)(CCHH)(H)	C(C[6,6]C[3x6]C[6,6]H)(CH3)(H)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(C[6,6]C[3x6]C[6,6]H)(CH3)(H)2	H(C[6,6]C[3x6]C[6,6]C)	107.1720	0.000	1	107.1720	0.000	1	107.5563	0.528	18	107.4463	0.881	36	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	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-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(C[6,6]C[3x6]C[6,6]H)(NCHH)(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(C[6,6]C[3x6]C[6,6]H)(NCHH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	108.4200	0.000	1	108.4200	0.000	1	108.4200	0.000	1	107.4463	0.881	36	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	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:P-4:H-1: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(C[6,6]C[3x6]C[6,6]H)(PPdCC)(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]CH)(CHHP)(H){1|H<1>,4|C<3>}	C(C[6,6]C[3x6]C[6,6]H)(PPdCC)(H)2	H(C[6,6]C[3x6]C[6,6]C)	107.8220	0.120	2	107.8220	0.014	2	107.8220	0.014	2	107.4463	0.881	36	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	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:S-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(C[6,6]C[4,6,6]C[6,6]H)(SCOO)(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(C[6,6]C[4,6,6]C[6,6]H)(SCOO)(H)2	H(C[6,6]C[4,6,6]C[6,6]C)	107.0960	1.566	2	107.0960	2.451	2	107.0960	2.451	2	107.4463	0.881	36	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:C-4:H-1: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(C[6,6]C[5,6,6]C[3x6]H)(CCHH)(H)2	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(C[6,6]C[5,6,6]C[3x6]H)(CCHH)(H)2	H(C[6,6]C[5,6,6]C[3x6]C)	106.3530	0.000	1	106.3530	0.000	1	106.3530	0.000	1	107.4463	0.881	36	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C-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[6,6]C[6,6]C[6]H)(CCHH)(H)	C(C[6,6]C[5,6,6]C[6,6]H)(CH3)(H)2	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(C[6,6]C[5,6,6]C[6,6]H)(CH3)(H)2	H(C[6,6]C[5,6,6]C[6,6]C)	107.8920	0.000	1	107.8920	0.000	1	107.8920	0.000	1	107.4463	0.881	36	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:C-4:H-1: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(C[6,6]C[3x6]C[6,6]H)(CCHH)(H)2	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(C[6,6]C[3x6]C[6,6]H)(CCHH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	108.0570	0.000	1	108.0570	0.000	1	107.6600	0.315	2	107.4463	0.881	36	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:C-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(C[6,6]C[3x6]C[6,6]H)(CH3)(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(C[6,6]C[3x6]C[6,6]H)(CH3)(H)2	H(C[6,6]C[3x6]C[6,6]C)	107.2630	0.000	1	107.2630	0.000	1	107.6600	0.315	2	107.4463	0.881	36	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C-4:H-1: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(C[6,6]C[6,6]2H)(CH3)(H)2	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(C[6,6]C[6,6]2H)(CH3)(H)2	H(C[6,6]C[6,6]2C)	107.1030	0.000	1	107.1030	0.000	1	106.2360	0.756	3	107.4463	0.881	36	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C-4:H-1: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(C[6,6]C[6,6]2H)(CHHO)(H)2	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(C[6,6]C[6,6]2H)(CHHO)(H)2	H(C[6,6]C[6,6]2C)	105.3640	0.000	1	105.3640	0.000	1	106.2360	0.756	3	107.4463	0.881	36	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C-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]2C)(CCHH)(H)	C(C[6,6]C[6,6]2H)(CCHH)(H)2	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(C[6,6]C[6,6]2H)(CCHH)(H)2	H(C[6,6]C[6,6]2C)	106.2410	0.000	1	106.2410	0.000	1	106.2360	0.756	3	107.4463	0.881	36	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	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-4:O-2: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(C[6,6]C[3x6]C[6,6]H)(CCHH)(OH)(H)	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(C[6,6]C[3x6]C[6,6]H)(CCHH)(OH)(H)	H(C[6,6]C[3x6]C[6,6]C)	106.9605	0.113	4	106.9605	0.013	4	106.5936	0.683	5	106.7632	0.719	6	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	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-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CCHO)(H)	C(C[6,6]C[3x6]C[6,6]H)(CCHH)(OH)(H)	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(C[6,6]C[3x6]C[6,6]H)(CCHH)(OH)(H)	H(C[6,6]C[3x6]C[6,6]C)	105.1260	0.000	1	105.1260	0.000	1	106.5936	0.683	5	106.7632	0.719	6	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:4:2:1:	4:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C-4:O-2: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(C[6,6]C[4x6]C[6,6]H)(CH3)(OH)(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(C[6,6]C[4x6]C[6,6]H)(CH3)(OH)(H)	H(C[6,6]C[4x6]C[6,6]C)	107.6110	0.000	1	107.6110	0.000	1	107.6110	0.000	1	106.7632	0.719	6	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[5,6,6]-4:C-4:H-1:	C[6,6]-4:C-4:C-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]N[5]H)(CCCH)(H)	C(C[6,6]C[5,6,6]C[3x6]H)(CH3)(COO)(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(C[6,6]C[5,6,6]C[3x6]H)(CH3)(COO)(H)	H(C[6,6]C[5,6,6]C[3x6]C)	107.1360	0.000	1	107.1360	0.000	1	107.1360	0.000	1	107.1360	0.000	1	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	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-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]HH)(CCCH)(H)	C(C[6,6]C[3x6]C[6,6]H)(CH3)2(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(C[6,6]C[3x6]C[6,6]H)(CH3)2(H)	H(C[6,6]C[3x6]C[6,6]C)	107.3510	0.000	1	107.6710	0.205	2	107.6710	0.205	2	107.4482	0.633	5	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	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-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]HH)(CCCH)(H)	C(C[6,6]C[3x6]C[6,6]H)(CH3)2(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(C[6,6]C[3x6]C[6,6]H)(CH3)2(H)	H(C[6,6]C[3x6]C[6,6]C)	107.9910	0.000	1	107.6710	0.205	2	107.6710	0.205	2	107.4482	0.633	5	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:C-4:C-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]2C)(CCCH)(H)	C(C[6,6]C[5,6,6]C[3x6]H)(CH3)2(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]2C)(CCCH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|O<1>}	C(C[6,6]C[5,6,6]C[3x6]H)(CH3)2(H)	H(C[6,6]C[5,6,6]C[3x6]C)	106.2770	0.000	1	106.2770	0.000	1	107.2997	1.081	3	107.4482	0.633	5	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:C-4:C-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)(CCCH)(H)	C(C[6,6]C[5,6,6]C[3x6]H)(CH3)2(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(C[6,6]C[5,6,6]C[3x6]H)(CH3)2(H)	H(C[6,6]C[5,6,6]C[3x6]C)	108.3560	0.000	1	107.8110	0.594	2	107.2997	1.081	3	107.4482	0.633	5	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:C-4:C-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)(CCCH)(H)	C(C[6,6]C[5,6,6]C[3x6]H)(CH3)2(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(C[6,6]C[5,6,6]C[3x6]H)(CH3)2(H)	H(C[6,6]C[5,6,6]C[3x6]C)	107.2660	0.000	1	107.8110	0.594	2	107.2997	1.081	3	107.4482	0.633	5	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6,6]	C	H	4:4:4:1:	4:4:4:2:	4:	C[5,6,6]-4:C[5,6,6]-4:C-4:H-1:	C[6,6]-4:C[5]-4:C-4:O-2:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[5,6,6]C[5,6]2C)(CC[5]CO)(H)	C(C[6,6]C[5,6,6]2H)(C[5]C[3,5]C[5]H)(CH3)(OH)	H(C[6,6]C[5,6,6]2C)	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[5,6,6]C[5,6]2C)(CC[5]CO)(H){1|O<2>,2|C<4>,5|H<1>}	C(C[6,6]C[5,6,6]2H)(C[5]C[3,5]C[5]H)(CH3)(OH)	H(C[6,6]C[5,6,6]2C)	105.0930	0.000	1	105.0930	0.000	1	105.0930	0.000	1	105.0930	0.000	1	107.0756	3.294	359	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:2:4:1:	4:1:1:1:	4:	O[6]-2:N[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(N[6]C[6])(CH3)(H)	C(C[6]N[6]O[6]H)(H)3	H(C[6]N[6]O[6]C)	C[6](O[6]C[6,6a])(N[6]C[6])(CH3)(H){1|O<1>,2|C<3>}	C(C[6]N[6]O[6]H)(H)3	H(C[6]N[6]O[6]C)	109.5930	0.000	1	109.5930	0.000	1	109.5930	0.000	1	110.6072	2.521	42	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:2:4:1:	4:1:1:1:	4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:Cl-1:Cl-1:Cl-1:	C[6]-4:	C[6](O[6]C[6,6a])(O[6]C[6])(CCl3)(H)	C(C[6]O[6]2H)(Cl)3	H(C[6]O[6]2C)	C[6](O[6]C[6,6a])(O[6]C[6])(CCl3)(H){1|O<1>,2|C<3>}	C(C[6]O[6]2H)(Cl)3	H(C[6]O[6]2C)	109.9490	0.000	1	109.9490	0.000	1	109.9490	0.000	1	110.6072	2.521	42	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:2:4:1:	4:1:1:1:	4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](O[6]C[3x6])2(CH3)(H)	C(C[6]O[6]2H)(H)3	H(C[6]O[6]2C)	C[6](O[6]C[3x6])2(CH3)(H){2|H<1>,3|C<4>}	C(C[6]O[6]2H)(H)3	H(C[6]O[6]2C)	110.1750	0.000	1	110.1750	0.000	1	110.6491	2.611	40	110.6072	2.521	42	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:2:4:1:	4:1:1:1:	4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](O[6]C[6,6])(O[6]C[6])(CH3)(H)	C(C[6]O[6]2H)(H)3	H(C[6]O[6]2C)	C[6](O[6]C[6,6])(O[6]C[6])(CH3)(H){2|C<4>,3|H<1>}	C(C[6]O[6]2H)(H)3	H(C[6]O[6]2C)	110.0304	1.255	16	110.0304	1.574	16	110.6491	2.611	40	110.6072	2.521	42	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:2:4:1:	4:1:1:1:	4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)(H)	C(C[6]O[6]2H)(H)3	H(C[6]O[6]2C)	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)(H){1|N<2>,2|C<3>}	C(C[6]O[6]2H)(H)3	H(C[6]O[6]2C)	109.6760	0.000	1	109.7920	0.027	2	110.6491	2.611	40	110.6072	2.521	42	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:2:4:1:	4:1:1:1:	4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)(H)	C(C[6]O[6]2H)(H)3	H(C[6]O[6]2C)	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)(H){1|O<1>,2|C<3>}	C(C[6]O[6]2H)(H)3	H(C[6]O[6]2C)	109.9080	0.000	1	109.7920	0.027	2	110.6491	2.611	40	110.6072	2.521	42	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:2:4:1:	4:1:1:1:	4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](O[6]C[6])2(CH3)(H)	C(C[6]O[6]2H)(H)3	H(C[6]O[6]2C)	C[6](O[6]C[6])2(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]O[6]2H)(H)3	H(C[6]O[6]2C)	109.9550	0.000	1	111.2246	3.172	21	110.6491	2.611	40	110.6072	2.521	42	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:2:4:1:	4:1:1:1:	4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](O[6]C[6])2(CH3)(H)	C(C[6]O[6]2H)(H)3	H(C[6]O[6]2C)	C[6](O[6]C[6])2(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	C(C[6]O[6]2H)(H)3	H(C[6]O[6]2C)	110.1778	1.248	5	111.2246	3.172	21	110.6491	2.611	40	110.6072	2.521	42	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:2:4:1:	4:1:1:1:	4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](O[6]C[6])2(CH3)(H)	C(C[6]O[6]2H)(H)3	H(C[6]O[6]2C)	C[6](O[6]C[6])2(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]O[6]2H)(H)3	H(C[6]O[6]2C)	111.9694	1.775	13	111.2246	3.172	21	110.6491	2.611	40	110.6072	2.521	42	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:2:4:1:	4:1:1:1:	4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](O[6]C[6])2(CH3)(H)	C(C[6]O[6]2H)(H)3	H(C[6]O[6]2C)	C[6](O[6]C[6])2(CH3)(H){2|C<4>,3|H<1>}	C(C[6]O[6]2H)(H)3	H(C[6]O[6]2C)	109.6350	0.194	2	111.2246	3.172	21	110.6491	2.611	40	110.6072	2.521	42	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:2:4:1:	4:3:1:1:	4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](O[6]C[6])2(CCHH)(H)	C(C[6]O[6]2H)(CCO)(H)2	H(C[6]O[6]2C)	C[6](O[6]C[6])2(CCHH)(H){1|C<4>,4|H<1>}	C(C[6]O[6]2H)(CCO)(H)2	H(C[6]O[6]2C)	109.7720	0.000	1	109.7720	0.000	1	109.7720	0.000	1	109.7720	0.000	1	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:2:4:1:	4:4:1:1:	4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](O[6]C[6,6])(O[6]C[6])(CCHH)(H)	C(C[6]O[6]2H)(CCHH)(H)2	H(C[6]O[6]2C)	C[6](O[6]C[6,6])(O[6]C[6])(CCHH)(H){2|C<4>,3|H<1>}	C(C[6]O[6]2H)(CCHH)(H)2	H(C[6]O[6]2C)	113.7083	2.590	3	113.7083	6.708	3	110.1138	2.853	22	109.5964	2.933	30	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:2:4:1:	4:4:1:1:	4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(O[6]C[6])(CCHH)(H)	C(C[6]O[6]2H)(CCHH)(H)2	H(C[6]O[6]2C)	C[6](O[6]C[6,6a])(O[6]C[6])(CCHH)(H){1|O<1>,2|C<3>}	C(C[6]O[6]2H)(CCHH)(H)2	H(C[6]O[6]2C)	109.7703	0.122	3	109.7703	0.015	3	110.1138	2.853	22	109.5964	2.933	30	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:2:4:1:	4:4:1:1:	4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(O[6]C[6])(CCHH)(H)	C(C[6]O[6]2H)(CH3)(H)2	H(C[6]O[6]2C)	C[6](O[6]C[6,6a])(O[6]C[6])(CCHH)(H){1|O<1>,2|C<3>}	C(C[6]O[6]2H)(CH3)(H)2	H(C[6]O[6]2C)	109.6140	0.199	2	109.6140	0.040	2	110.1138	2.853	22	109.5964	2.933	30	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:2:4:1:	4:4:1:1:	4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](O[6]C[6])2(CCHH)(H)	C(C[6]O[6]2H)(CCHH)(H)2	H(C[6]O[6]2C)	C[6](O[6]C[6])2(CCHH)(H){1|C<4>,4|H<1>}	C(C[6]O[6]2H)(CCHH)(H)2	H(C[6]O[6]2C)	109.4431	0.348	7	109.3868	0.129	8	110.1138	2.853	22	109.5964	2.933	30	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:2:4:1:	4:4:1:1:	4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](O[6]C[6])2(CCHH)(H)	C(C[6]O[6]2H)(CCHH)(H)2	H(C[6]O[6]2C)	C[6](O[6]C[6])2(CCHH)(H){2|C<4>,3|H<1>}	C(C[6]O[6]2H)(CCHH)(H)2	H(C[6]O[6]2C)	108.9920	0.000	1	109.3868	0.129	8	110.1138	2.853	22	109.5964	2.933	30	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:2:4:1:	4:4:1:1:	4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](O[6]C[6])2(CCHH)(H)	C(C[6]O[6]2H)(CC[6]HH)(H)2	H(C[6]O[6]2C)	C[6](O[6]C[6])2(CCHH)(H){1|C<4>,4|H<1>}	C(C[6]O[6]2H)(CC[6]HH)(H)2	H(C[6]O[6]2C)	109.6465	0.194	2	109.6465	0.038	2	110.1138	2.853	22	109.5964	2.933	30	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:2:4:1:	4:4:1:1:	4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](O[6]C[6])2(CCHH)(H)	C(C[6]O[6]2H)(CH3)(H)2	H(C[6]O[6]2C)	C[6](O[6]C[6])2(CCHH)(H){1|C<4>,4|H<1>}	C(C[6]O[6]2H)(CH3)(H)2	H(C[6]O[6]2C)	109.5470	0.000	1	109.5470	0.000	1	110.1138	2.853	22	109.5964	2.933	30	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:2:4:1:	4:4:1:1:	4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](O[6]C[6])2(CCHH)(H)	C(C[6]O[6]2H)(CHHN)(H)2	H(C[6]O[6]2C)	C[6](O[6]C[6])2(CCHH)(H){1|C<4>,4|H<1>}	C(C[6]O[6]2H)(CHHN)(H)2	H(C[6]O[6]2C)	109.6353	0.317	3	109.6353	0.100	3	110.1138	2.853	22	109.5964	2.933	30	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:2:4:1:	4:4:1:1:	4:	S[6]-2:S[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](S[6]C[6])2(CCHH)(H)	C(C[6]S[6]2H)(CCHH)(H)2	H(C[6]S[6]2C)	C[6](S[6]C[6])2(CCHH)(H){1|C<4>,4|H<1>}	C(C[6]S[6]2H)(CCHH)(H)2	H(C[6]S[6]2C)	108.7910	0.000	1	108.0143	0.274	7	108.1736	0.438	8	109.5964	2.933	30	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:2:4:1:	4:4:1:1:	4:	S[6]-2:S[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](S[6]C[6])2(CCHH)(H)	C(C[6]S[6]2H)(CCHH)(H)2	H(C[6]S[6]2C)	C[6](S[6]C[6])2(CCHH)(H){1|S<2>,2|C<4>,2|H<1>}	C(C[6]S[6]2H)(CCHH)(H)2	H(C[6]S[6]2C)	107.8848	0.433	6	108.0143	0.274	7	108.1736	0.438	8	109.5964	2.933	30	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:2:4:1:	4:4:1:1:	4:	S[6]-2:S[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](S[6]C[6])2(CCHH)(H)	C(C[6]S[6]2H)(CCHO)(H)2	H(C[6]S[6]2C)	C[6](S[6]C[6])2(CCHH)(H){1|C<4>,4|H<1>}	C(C[6]S[6]2H)(CCHO)(H)2	H(C[6]S[6]2C)	109.2890	0.000	1	109.2890	0.000	1	108.1736	0.438	8	109.5964	2.933	30	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:2:4:1:	4:4:2:1:	4:	S[6]-2:S[6]-2:C-4:H-1:	C[5]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](S[6]C[6])2(CC[5]HO)(H)	C(C[5]C[5]O[5]H)(C[6]S[6]2H)(OH)(H)	H(C[6]S[6]2C)	C[6](S[6]C[6])2(CC[5]HO)(H){1|C<4>,4|H<1>}	C(C[5]C[5]O[5]H)(C[6]S[6]2H)(OH)(H)	H(C[6]S[6]2C)	108.7760	0.000	1	108.7760	0.000	1	108.7760	0.000	1	108.7760	0.000	1	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:2:4:1:	4:4:4:1:	4:	N[6]-2:N[6]-2:C-4:H-1:	C[6]-4:Si-4:Si-4:H-1:	C[6]-4:	C[6](N[6]C[6])2(CSi2H)(H)	C(C[6]N[6]2H)(SiC3)2(H)	H(C[6]N[6]2C)	C[6](N[6]C[6])2(CSi2H)(H){1|N<2>,2|H<1>}	C(C[6]N[6]2H)(SiC3)2(H)	H(C[6]N[6]2C)	107.1510	0.000	1	107.1620	0.000	2	107.1620	0.000	2	108.3081	1.156	10	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:2:4:1:	4:4:4:1:	4:	N[6]-2:N[6]-2:C-4:H-1:	C[6]-4:Si-4:Si-4:H-1:	C[6]-4:	C[6](N[6]C[6])2(CSi2H)(H)	C(C[6]N[6]2H)(SiC3)2(H)	H(C[6]N[6]2C)	C[6](N[6]C[6])2(CSi2H)(H){1|N<3>,2|H<1>}	C(C[6]N[6]2H)(SiC3)2(H)	H(C[6]N[6]2C)	107.1730	0.000	1	107.1620	0.000	2	107.1620	0.000	2	108.3081	1.156	10	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:2:4:1:	4:4:4:1:	4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(O[6]C[6])(CCCH)(H)	C(C[6]O[6]2H)(CH3)2(H)	H(C[6]O[6]2C)	C[6](O[6]C[6,6a])(O[6]C[6])(CCCH)(H){1|O<1>,2|C<3>}	C(C[6]O[6]2H)(CH3)2(H)	H(C[6]O[6]2C)	109.3200	0.306	3	109.3200	0.093	3	109.4423	0.122	4	108.3081	1.156	10	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:2:4:1:	4:4:4:1:	4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](O[6]C[6])2(CCCH)(H)	C(C[6]O[6]2H)(CH3)2(H)	H(C[6]O[6]2C)	C[6](O[6]C[6])2(CCCH)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]O[6]2H)(CH3)2(H)	H(C[6]O[6]2C)	109.8090	0.000	1	109.8090	0.000	1	109.4423	0.122	4	108.3081	1.156	10	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:2:4:1:	4:4:4:1:	4:	S[6]-2:S[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](S[6]C[6])2(CCCH)(H)	C(C[6]S[6]2H)(CCHH)(CH3)(H)	H(C[6]S[6]2C)	C[6](S[6]C[6])2(CCCH)(H){1|C<4>,4|H<1>}	C(C[6]S[6]2H)(CCHH)(CH3)(H)	H(C[6]S[6]2C)	107.0690	0.000	1	107.0690	0.000	1	107.7470	0.335	4	108.3081	1.156	10	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:2:4:1:	4:4:4:1:	4:	S[6]-2:S[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](S[6]C[6])2(CCCH)(H)	C(C[6]S[6]2H)(CCHO)(CH3)(H)	H(C[6]S[6]2C)	C[6](S[6]C[6])2(CCCH)(H){1|C<4>,4|H<1>}	C(C[6]S[6]2H)(CCHO)(CH3)(H)	H(C[6]S[6]2C)	107.7205	0.090	2	107.7205	0.008	2	107.7470	0.335	4	108.3081	1.156	10	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:2:4:1:	4:4:4:1:	4:	S[6]-2:S[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](S[6]C[6])2(CCCH)(H)	C(C[6]S[6]2H)(CH3)2(H)	H(C[6]S[6]2C)	C[6](S[6]C[6])2(CCCH)(H){1|C<4>,4|H<1>}	C(C[6]S[6]2H)(CH3)2(H)	H(C[6]S[6]2C)	108.4780	0.000	1	108.4780	0.000	1	107.7470	0.335	4	108.3081	1.156	10	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:2:4:1:	4:4:4:4:	4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](O[6]C[6])2(CC3)(H)	C(C[6]O[6]2H)(CH3)3	H(C[6]O[6]2C)	C[6](O[6]C[6])2(CC3)(H){1|C<3>,1|N<2>,2|H<1>}	C(C[6]O[6]2H)(CH3)3	H(C[6]O[6]2C)	109.1750	0.000	1	109.1867	0.026	6	109.1867	0.026	6	109.1867	0.026	6	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:2:4:1:	4:4:4:4:	4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](O[6]C[6])2(CC3)(H)	C(C[6]O[6]2H)(CH3)3	H(C[6]O[6]2C)	C[6](O[6]C[6])2(CC3)(H){1|C<4>,4|H<1>}	C(C[6]O[6]2H)(CH3)3	H(C[6]O[6]2C)	109.1890	0.180	5	109.1867	0.026	6	109.1867	0.026	6	109.1867	0.026	6	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:3:4:1:	4:1:1:1:	4:	O[6]-2:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](O[6]C[5,6,6])(C[6]O[6]O)(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	C[6](O[6]C[5,6,6])(C[6]O[6]O)(CH3)(H){1|S<2>,2|C<4>}	C(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	107.8560	0.000	1	107.8560	0.000	1	108.1152	0.170	6	107.9510	1.195	9	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:3:4:1:	4:1:1:1:	4:	O[6]-2:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](O[6]C[5,6])(C[6]C[6]C)(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	C[6](O[6]C[5,6])(C[6]C[6]C)(CH3)(H){3|C<3>}	C(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	107.8990	0.000	1	107.8990	0.000	1	108.1152	0.170	6	107.9510	1.195	9	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:3:4:1:	4:1:1:1:	4:	O[6]-2:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](O[6]C[5,6])(C[6]C[6]H)(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	C[6](O[6]C[5,6])(C[6]C[6]H)(CH3)(H){2|C<3>,2|C<4>}	C(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	108.5800	0.000	1	108.5800	0.000	1	108.1152	0.170	6	107.9510	1.195	9	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:3:4:1:	4:1:1:1:	4:	O[6]-2:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](O[6]C[5a,6])(C[6]C[6]C)(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	C[6](O[6]C[5a,6])(C[6]C[6]C)(CH3)(H){3|C<3>}	C(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	107.8500	0.297	2	107.8500	0.088	2	108.1152	0.170	6	107.9510	1.195	9	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:3:4:1:	4:1:1:1:	4:	O[6]-2:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]N[6]O)(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]N[6]O)(CH3)(H){1|C<4>,2|C<3>}	C(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	108.6560	0.000	1	108.6560	0.000	1	108.1152	0.170	6	107.9510	1.195	9	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:3:4:1:	4:1:1:1:	4:	O[6]-2:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(N[6]C[6]C)(CH3)(H)	C(C[6]N[6]O[6]H)(H)3	H(C[6]N[6]O[6]C)	C[6](O[6]C[6,6a])(N[6]C[6]C)(CH3)(H){1|H<1>,3|C<3>}	C(C[6]N[6]O[6]H)(H)3	H(C[6]N[6]O[6]C)	107.3040	0.000	1	107.3040	0.000	1	108.5475	3.093	2	107.9510	1.195	9	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:3:4:1:	4:1:1:1:	4:	O[6]-2:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(N[6]C[6]H)(CH3)(H)	C(C[6]N[6]O[6]H)(H)3	H(C[6]N[6]O[6]C)	C[6](O[6]C[6,6a])(N[6]C[6]H)(CH3)(H){1|O<1>,2|C<3>}	C(C[6]N[6]O[6]H)(H)3	H(C[6]N[6]O[6]C)	109.7910	0.000	1	109.7910	0.000	1	108.5475	3.093	2	107.9510	1.195	9	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:3:4:1:	4:1:1:1:	4:	S[6]-2:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](S[6]C[5,6])(C[6]S[6]H)(CH3)(H)	C(C[6]C[6]S[6]H)(H)3	H(C[6]C[6]S[6]C)	C[6](S[6]C[5,6])(C[6]S[6]H)(CH3)(H){1|C<3>,1|S<2>}	C(C[6]C[6]S[6]H)(H)3	H(C[6]C[6]S[6]C)	105.7730	0.000	1	105.7730	0.000	1	105.7730	0.000	1	107.9510	1.195	9	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:3:4:1:	4:3:1:1:	4:	N[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HH)(H){2|C<4>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	108.2130	0.000	1	108.2130	0.000	1	105.9110	10.598	2	107.4456	5.561	11	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:3:4:1:	4:3:1:1:	4:	N[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6])(C[6]O[6]O)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6])(C[6]O[6]O)(CC[6a]HH)(H){2|C<4>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	103.6090	0.000	1	103.6090	0.000	1	105.9110	10.598	2	107.4456	5.561	11	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:3:4:1:	4:3:1:1:	4:	N[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:O-1:	C[6]-4:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HO)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)(O)	H(C[6]C[6]N[6]C)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HO)(H){2|C<4>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)(O)	H(C[6]C[6]N[6]C)	106.1882	0.323	5	106.1882	0.104	5	106.1882	0.104	5	107.4456	5.561	11	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:3:4:1:	4:3:1:1:	4:	O[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](O[6]C[6,6])(C[6]C[6]H)(CCHH)(H)	C(C[6]C[6]O[6]H)(CCO)(H)2	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6])(C[6]C[6]H)(CCHH)(H){2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CCO)(H)2	H(C[6]C[6]O[6]C)	110.8180	0.000	1	110.8180	0.000	1	109.9823	4.815	3	107.4456	5.561	11	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:3:4:1:	4:3:1:1:	4:	O[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](O[6]C[6,6])(C[6]C[6]H)(CCHH)(H)	C(C[6]C[6]O[6]H)(CC[6a]O)(H)2	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6])(C[6]C[6]H)(CCHH)(H){2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CC[6a]O)(H)2	H(C[6]C[6]O[6]C)	111.6360	0.000	1	111.6360	0.000	1	109.9823	4.815	3	107.4456	5.561	11	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:3:4:1:	4:3:1:1:	4:	O[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6]O[6]H)(CC[6a]O)(H)2	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]C[6]C)(CCHH)(H){1|O<2>,2|C<3>}	C(C[6]C[6]O[6]H)(CC[6a]O)(H)2	H(C[6]C[6]O[6]C)	107.4930	0.000	1	107.4930	0.000	1	109.9823	4.815	3	107.4456	5.561	11	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:3:4:1:	4:3:1:1:	4:	S[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](S[6]C[6,6a])(C[6]N[6]O)(CCHH)(H)	C(C[6]C[6]S[6]H)(CC[6a]O)(H)2	H(C[6]C[6]S[6]C)	C[6](S[6]C[6,6a])(C[6]N[6]O)(CCHH)(H){1|H<1>,2|C<3>}	C(C[6]C[6]S[6]H)(CC[6a]O)(H)2	H(C[6]C[6]S[6]C)	109.1920	0.000	1	109.1920	0.000	1	109.1920	0.000	1	107.4456	5.561	11	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:3:4:1:	4:3:2:1:	4:	N[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:O-2:H-1:	C[6]-4:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HO)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(OH)(H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HO)(H){2|C<4>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(OH)(H)	H(C[6]C[6]N[6]C)	105.9605	0.025	2	105.9605	0.001	2	105.9605	0.001	2	106.9677	1.599	4	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:3:4:1:	4:3:2:1:	4:	O[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:O-2:H-1:	C[6]-4:	C[6](O[6]C[6,6])(C[6]O[6]O)(CC[6a]HO)(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6])(C[6]O[6]O)(CC[6a]HO)(H){1|O<2>,2|C<4>}	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(OH)(H)	H(C[6]C[6]O[6]C)	108.5820	0.000	1	108.5820	0.000	1	108.5820	0.000	1	106.9677	1.599	4	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:3:4:1:	4:3:2:1:	4:	S[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:O-2:H-1:	C[6]-4:	C[6](S[6]C[6,6a])(C[6]N[6]O)(CC[6a]HO)(H)	C(C[6]C[6]S[6]H)(C[6a]C[6a]2)(OH)(H)	H(C[6]C[6]S[6]C)	C[6](S[6]C[6,6a])(C[6]N[6]O)(CC[6a]HO)(H){1|H<1>,2|C<3>}	C(C[6]C[6]S[6]H)(C[6a]C[6a]2)(OH)(H)	H(C[6]C[6]S[6]C)	107.3680	0.000	1	107.3680	0.000	1	107.3680	0.000	1	106.9677	1.599	4	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:3:4:1:	4:3:3:1:	4:	N[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:N-3:H-1:	C[6]-4:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HN)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(NCH)(H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HN)(H){2|C<4>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(NCH)(H)	H(C[6]C[6]N[6]C)	105.4750	0.000	1	105.4750	0.000	1	105.3047	0.042	4	105.3047	0.042	4	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:3:4:1:	4:3:3:1:	4:	N[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:N-3:H-1:	C[6]-4:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HN)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(NHS)(H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HN)(H){2|C<4>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(NHS)(H)	H(C[6]C[6]N[6]C)	105.2480	0.209	3	105.2480	0.044	3	105.3047	0.042	4	105.3047	0.042	4	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:3:4:1:	4:3:4:1:	4:	N[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C-4:H-1:	C[6]-4:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]CH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CHHN)(H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]CH)(H){2|C<4>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CHHN)(H)	H(C[6]C[6]N[6]C)	105.3130	0.194	5	105.3130	0.038	5	105.3130	0.038	5	105.3130	0.038	5	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:3:4:1:	4:4:1:1:	4:	N[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCHH)(H)	C(C[6]C[6]N[6]H)(CH3)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCHH)(H){2|C<4>}	C(C[6]C[6]N[6]H)(CH3)(H)2	H(C[6]C[6]N[6]C)	106.7730	0.000	1	106.7730	0.000	1	106.7730	0.000	1	106.8896	1.014	5	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:3:4:1:	4:4:1:1:	4:	N[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:O-1:	C[6]-4:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCHO)(H)	C(C[6]C[6]N[6]H)(CCCH)(H)(O)	H(C[6]C[6]N[6]C)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCHO)(H){2|C<4>}	C(C[6]C[6]N[6]H)(CCCH)(H)(O)	H(C[6]C[6]N[6]C)	106.3803	0.529	3	106.3803	0.280	3	106.3803	0.280	3	106.8896	1.014	5	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:3:4:1:	4:4:1:1:	4:	O[6]-2:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(N[6]C[6]H)(CCHH)(H)	C(C[6]N[6]O[6]H)(CHHS)(H)2	H(C[6]N[6]O[6]C)	C[6](O[6]C[6,6a])(N[6]C[6]H)(CCHH)(H){1|H<1>,3|C<3>}	C(C[6]N[6]O[6]H)(CHHS)(H)2	H(C[6]N[6]O[6]C)	108.5340	0.000	1	108.5340	0.000	1	108.5340	0.000	1	106.8896	1.014	5	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:3:4:1:	4:4:2:1:	4:	N[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCHO)(H)	C(C[6]C[6]N[6]H)(CCCH)(OH)(H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCHO)(H){2|C<4>}	C(C[6]C[6]N[6]H)(CCCH)(OH)(H)	H(C[6]C[6]N[6]C)	107.8032	0.355	4	107.8032	0.126	4	107.8032	0.126	4	107.3284	0.416	7	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:3:4:1:	4:4:2:1:	4:	N[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6]HO)(H)	C(C[6]C[6]N[6]H)(C[6]C[6]2H)(OH)(H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6]HO)(H){2|C<4>}	C(C[6]C[6]N[6]H)(C[6]C[6]2H)(OH)(H)	H(C[6]C[6]N[6]C)	106.6000	0.000	1	106.6000	0.000	1	106.6000	0.000	1	107.3284	0.416	7	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:3:4:1:	4:4:2:1:	4:	O[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:	C[6](O[6]C[6,6])(C[6]C[6]H)(CCHO)(H)	C(C[6]C[6]O[6]H)(CH3)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6])(C[6]C[6]H)(CCHO)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CH3)(OC)(H)	H(C[6]C[6]O[6]C)	106.7280	0.000	1	106.7280	0.000	1	106.7280	0.000	1	107.3284	0.416	7	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:3:4:1:	4:4:2:1:	4:	S[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:	C[6](S[6]C[6,6a])(C[6]C[6]N)(CCHO)(H)	C(C[6]C[6]S[6]H)(CCHO)(OC)(H)	H(C[6]C[6]S[6]C)	C[6](S[6]C[6,6a])(C[6]C[6]N)(CCHO)(H){1|H<1>,2|C<3>}	C(C[6]C[6]S[6]H)(CCHO)(OC)(H)	H(C[6]C[6]S[6]C)	106.7580	0.000	1	106.7580	0.000	1	106.7580	0.000	1	107.3284	0.416	7	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:3:4:1:	4:4:3:1:	4:	N[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6]-4:	C[6](N[6]C[3x6])(C[6]O[6]O)(CCCH)(H)	C(C[6]C[6]N[6]H)(CH3)(CCO)(H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[3x6])(C[6]O[6]O)(CCCH)(H){2|C<4>}	C(C[6]C[6]N[6]H)(CH3)(CCO)(H)	H(C[6]C[6]N[6]C)	107.9140	0.000	1	107.9140	0.000	1	107.9140	0.000	1	107.9140	0.000	1	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:3:4:1:	4:4:3:2:	4:	N[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-3:O-2:	C[6]-4:	C[6](N[6]C[3x6])(C[6]O[6]O)(CCCO)(H)	C(C[6]C[6]N[6]H)(CH3)(CCO)(OH)	H(C[6]C[6]N[6]C)	C[6](N[6]C[3x6])(C[6]O[6]O)(CCCO)(H){2|C<4>}	C(C[6]C[6]N[6]H)(CH3)(CCO)(OH)	H(C[6]C[6]N[6]C)	109.8530	0.000	1	109.8530	0.000	1	109.8530	0.000	1	109.8530	0.000	1	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:3:4:1:	4:4:4:1:	4:	N[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](N[6]C[3x6])(C[6]O[6]O)(CCCH)(H)	C(C[6]C[6]N[6]H)(CCHO)(CH3)(H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[3x6])(C[6]O[6]O)(CCCH)(H){2|C<4>}	C(C[6]C[6]N[6]H)(CCHO)(CH3)(H)	H(C[6]C[6]N[6]C)	107.8210	0.000	1	107.8210	0.000	1	107.5723	0.241	3	107.9750	0.494	5	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:3:4:1:	4:4:4:1:	4:	N[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCCH)(H)	C(C[6]C[6]N[6]H)(CCCH)(CH3)(H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCCH)(H){2|C<4>}	C(C[6]C[6]N[6]H)(CCCH)(CH3)(H)	H(C[6]C[6]N[6]C)	107.8890	0.000	1	107.8890	0.000	1	107.5723	0.241	3	107.9750	0.494	5	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:3:4:1:	4:4:4:1:	4:	N[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCCH)(H)	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCCH)(H){2|C<4>}	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	H(C[6]C[6]N[6]C)	107.0070	0.000	1	107.0070	0.000	1	107.5723	0.241	3	107.9750	0.494	5	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:3:4:1:	4:4:4:1:	4:	O[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](O[6]C[5,6])(C[6]C[6]O)(CCCH)(H)	C(C[6]C[6]O[6]H)(CH3)2(H)	H(C[6]C[6]O[6]C)	C[6](O[6]C[5,6])(C[6]C[6]O)(CCCH)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]O[6]H)(CH3)2(H)	H(C[6]C[6]O[6]C)	108.5790	0.528	2	108.5790	0.278	2	108.5790	0.278	2	107.9750	0.494	5	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:3:4:1:	4:4:4:2:	4:	O[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:O-2:	C[6]-4:	C[6](O[6]C[6,6])(C[6]C[6]O)(CCCO)(H)	C(C[6]C[6]O[6]H)(CH3)2(OH)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6])(C[6]C[6]O)(CCCO)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CH3)2(OH)	H(C[6]C[6]O[6]C)	108.1025	0.275	2	108.1025	0.076	2	108.1025	0.076	2	108.1025	0.076	2	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:3:4:1:	4:4:4:3:	4:	O[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-3:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]C)(CC3)(H)	C(C[6]C[6]O[6]H)(CH3)2(COO)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]C[6]C)(CC3)(H){1|O<1>,2|C<3>}	C(C[6]C[6]O[6]H)(CH3)2(COO)	H(C[6]C[6]O[6]C)	106.7760	0.000	1	106.7760	0.000	1	106.7760	0.000	1	106.7760	0.000	1	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:3:4:1:	4:4:4:4:	4:	O[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]N[6]O)(CC3)(H)	C(C[6]C[6]O[6]H)(CH3)3	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]N[6]O)(CC3)(H){1|C<4>,2|C<3>}	C(C[6]C[6]O[6]H)(CH3)3	H(C[6]C[6]O[6]C)	105.8885	0.327	2	105.8885	0.107	2	105.8885	0.107	2	105.8885	0.107	2	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:4:4:1:	3:4:1:1:	4:	O[6]-2:C[6]-4:C-4:H-1:	N[5a]-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(N[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(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(N[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	H(C[6]C[6]O[6]C)	109.2860	0.000	1	109.2860	0.000	1	107.7435	4.759	2	107.6578	0.989	6	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:4:4:1:	3:4:1:1:	4:	O[6]-2:C[6]-4:C-4:H-1:	N[5a]-3: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(N[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(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(N[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	H(C[6]C[6]O[6]C)	106.2010	0.000	1	106.2010	0.000	1	107.7435	4.759	2	107.6578	0.989	6	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:4:4:1:	3:4:1:1:	4:	S[6]-2:C[6]-4:C-4:H-1:	N[5a]-3: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(N[5a]C[5a,6a]C[5a])(C[6]C[6]S[6]H)(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(N[5a]C[5a,6a]C[5a])(C[6]C[6]S[6]H)(H)2	H(C[6]C[6]S[6]C)	107.5067	0.109	3	107.5067	0.012	3	107.5067	0.012	3	107.6578	0.989	6	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:4:4:1:	3:4:1:1:	4:	S[6]-2:C[6]-4:C-4:H-1:	N[6a]-3: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(N[6a]C[5a,6a]C[6a])(C[6]C[6]S[6]H)(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(N[6a]C[5a,6a]C[6a])(C[6]C[6]S[6]H)(H)2	H(C[6]C[6]S[6]C)	107.9400	0.000	1	107.9400	0.000	1	107.9400	0.000	1	107.6578	0.989	6	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:4:4:1:	4:1:1:1:	4:	N[6]-2:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a])(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	109.5090	0.000	1	109.5090	0.000	1	109.5090	0.000	1	108.2974	1.431	20	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:4:4:1:	4:1:1:1:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:Cl-1:H-1:H-1:	C[6]-4:	C[6](O[6]C[5a,6])(C[6]O[6]HH)(CClHH)(H)	C(C[6]C[6]O[6]H)(Cl)(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(C[6]C[6]O[6]H)(Cl)(H)2	H(C[6]C[6]O[6]C)	109.1050	0.000	1	109.1050	0.000	1	109.1050	0.000	1	108.2974	1.431	20	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:4:4:1:	4:1:1:1:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:F-1:F-1:F-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CN)(CF3)(H)	C(C[6]C[6]O[6]H)(F)3	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(C[6]C[6]O[6]H)(F)3	H(C[6]C[6]O[6]C)	108.5280	0.000	1	108.5280	0.000	1	108.0990	1.072	6	108.2974	1.431	20	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:4:4:1:	4:1:1:1:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:F-1:F-1:F-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HN)(CF3)(H)	C(C[6]C[6]O[6]H)(F)3	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(C[6]C[6]O[6]H)(F)3	H(C[6]C[6]O[6]C)	109.2210	0.294	2	109.2210	0.087	2	108.0990	1.072	6	108.2974	1.431	20	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:4:4:1:	4:1:1:1:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:F-1:F-1:F-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HS)(CF3)(H)	C(C[6]C[6]O[6]H)(F)3	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(C[6]C[6]O[6]H)(F)3	H(C[6]C[6]O[6]C)	107.2080	0.307	3	107.2080	0.094	3	108.0990	1.072	6	108.2974	1.431	20	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:4:4:1:	4:1:1:1:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](O[6]C[5a,6])(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	107.2330	0.000	1	107.7200	0.474	2	108.4936	0.832	10	108.2974	1.431	20	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:4:4:1:	4:1:1:1:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](O[6]C[5a,6])(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	108.2070	0.000	1	107.7200	0.474	2	108.4936	0.832	10	108.2974	1.431	20	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:4:4:1:	4:1:1:1:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](O[6]C[5a,6])(C[6]O[6]CH)(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	108.1500	0.658	2	108.1500	0.432	2	108.4936	0.832	10	108.2974	1.431	20	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:4:4:1:	4:1:1:1:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	109.1750	0.554	3	109.1750	0.307	3	108.4936	0.832	10	108.2974	1.431	20	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:4:4:1:	4:1:1:1:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	109.4420	0.000	1	109.4420	0.000	1	108.4936	0.832	10	108.2974	1.431	20	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:4:4:1:	4:1:1:1:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HS)(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	108.1145	1.397	2	108.1145	1.950	2	108.4936	0.832	10	108.2974	1.431	20	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:4:4:1:	4:1:1:1:	4:	S[6]-2:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](S[6]C[6,6a])(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]S[6]H)(H)3	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(C[6]C[6]S[6]H)(H)3	H(C[6]C[6]S[6]C)	108.8650	0.000	1	106.9020	7.707	2	106.9020	7.707	2	108.2974	1.431	20	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:4:4:1:	4:1:1:1:	4:	S[6]-2:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](S[6]C[6,6a])(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]S[6]H)(H)3	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(C[6]C[6]S[6]H)(H)3	H(C[6]C[6]S[6]C)	104.9390	0.000	1	106.9020	7.707	2	106.9020	7.707	2	108.2974	1.431	20	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:4:4:1:	4:2:1:1:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CHHO)(H)	C(C[6]C[6]O[6]H)(OS)(H)2	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(C[6]C[6]O[6]H)(OS)(H)2	H(C[6]C[6]O[6]C)	108.4490	0.000	1	108.4490	0.000	1	108.5320	0.014	3	108.5602	0.012	4	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:4:4:1:	4:2:1:1:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]O[6]HH)(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(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(C[6]C[6]O[6]H)(OH)(H)2	H(C[6]C[6]O[6]C)	108.5735	0.129	2	108.5735	0.017	2	108.5320	0.014	3	108.5602	0.012	4	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:4:4:1:	4:2:1:1:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:S-2:H-1:H-1:	C[6]-4:	C[6](O[6]C[5a,6])(C[6]C[6]CH)(CHHS)(H)	C(C[6]C[6]O[6]H)(SC)(H)2	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(C[6]C[6]O[6]H)(SC)(H)2	H(C[6]C[6]O[6]C)	108.6450	0.000	1	108.6450	0.000	1	108.6450	0.000	1	108.5602	0.012	4	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:4:4:1:	4:3:1:1:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CN)(CCHH)(H)	C(C[6]C[6]O[6]H)(COO)(H)2	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(C[6]C[6]O[6]H)(COO)(H)2	H(C[6]C[6]O[6]C)	109.1540	0.272	2	109.4273	0.188	4	108.5237	1.444	13	108.5633	1.355	14	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:4:4:1:	4:3:1:1:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CN)(CCHH)(H)	C(C[6]C[6]O[6]H)(COO)(H)2	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(C[6]C[6]O[6]H)(COO)(H)2	H(C[6]C[6]O[6]C)	109.7005	0.438	2	109.4273	0.188	4	108.5237	1.444	13	108.5633	1.355	14	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:4:4:1:	4:3:1:1:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]O[6]H)(CC[6a]O)(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(C[6]C[6]O[6]H)(CC[6a]O)(H)2	H(C[6]C[6]O[6]C)	108.9910	0.000	1	108.9910	0.000	1	108.5237	1.444	13	108.5633	1.355	14	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:4:4:1:	4:3:1:1:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]O[6]H)(CNO)(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(C[6]C[6]O[6]H)(CNO)(H)2	H(C[6]C[6]O[6]C)	107.6990	1.483	4	107.6990	2.200	4	108.5237	1.444	13	108.5633	1.355	14	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:4:4:1:	4:3:1:1:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HN)(CCHH)(H)	C(C[6]C[6]O[6]H)(COO)(H)2	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(C[6]C[6]O[6]H)(COO)(H)2	H(C[6]C[6]O[6]C)	107.3705	0.305	2	108.3280	1.269	4	108.5237	1.444	13	108.5633	1.355	14	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:4:4:1:	4:3:1:1:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HN)(CCHH)(H)	C(C[6]C[6]O[6]H)(COO)(H)2	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(C[6]C[6]O[6]H)(COO)(H)2	H(C[6]C[6]O[6]C)	109.2855	0.217	2	108.3280	1.269	4	108.5237	1.444	13	108.5633	1.355	14	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:4:4:1:	4:3:1:1:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CC[6a]HH)(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(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(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]O[6]C)	109.0780	0.000	1	109.0780	0.000	1	109.0780	0.000	1	108.5633	1.355	14	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:4:4:1:	4:4:1:1:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HS)(CCHH)(H)	C(C[6]C[6]O[6]H)(CCHH)(H)2	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(C[6]C[6]O[6]H)(CCHH)(H)2	H(C[6]C[6]O[6]C)	108.0830	0.000	1	108.0830	0.000	1	108.0830	0.000	1	108.4855	0.094	4	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:4:4:1:	4:4:1:1:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:P-4:H-1:H-1:	C[6]-4:	C[6](O[6]C[5a,6])(C[6]O[6]HH)(CHHP)(H)	C(C[6]C[6]O[6]H)(PC[6a]2Pd)(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(C[6]C[6]O[6]H)(PC[6a]2Pd)(H)2	H(C[6]C[6]O[6]C)	108.8300	0.000	1	108.8300	0.000	1	108.8300	0.000	1	108.4855	0.094	4	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:4:4:1:	4:4:1:1:	4:	S[6]-2:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](S[6]C[6,6a])(C[6]N[6]CH)(CCHH)(H)	C(C[6]C[6]S[6]H)(CCHH)(H)2	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(C[6]C[6]S[6]H)(CCHH)(H)2	H(C[6]C[6]S[6]C)	108.5145	0.008	2	108.5145	0.000	2	108.5145	0.000	2	108.4855	0.094	4	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:4:4:1:	4:4:2:1:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCHO)(H)	C(C[6]C[6]O[6]H)(CCHO)(OH)(H)	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(C[6]C[6]O[6]H)(CCHO)(OH)(H)	H(C[6]C[6]O[6]C)	107.0460	0.000	1	107.0460	0.000	1	108.5084	0.562	7	108.5084	0.562	7	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:4:4:1:	4:4:2:1:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCHO)(H)	C(C[6]C[6]O[6]H)(CH3)(OS)(H)	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(C[6]C[6]O[6]H)(CH3)(OS)(H)	H(C[6]C[6]O[6]C)	108.6490	0.000	1	108.6490	0.000	1	108.5084	0.562	7	108.5084	0.562	7	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:4:4:1:	4:4:2:1:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCHO)(H)	C(C[6]C[6]O[6]H)(CHHN)(OH)(H)	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(C[6]C[6]O[6]H)(CHHN)(OH)(H)	H(C[6]C[6]O[6]C)	108.7728	0.465	5	108.7728	0.216	5	108.5084	0.562	7	108.5084	0.562	7	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:4:4:1:	4:4:4:2:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:O-2:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]O[6]HH)(CCCO)(H)	C(C[6]C[6]O[6]H)(CH3)2(OH)	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(C[6]C[6]O[6]H)(CH3)2(OH)	H(C[6]C[6]O[6]C)	108.6605	0.338	6	108.6605	0.114	6	108.6605	0.114	6	108.6605	0.114	6	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:4:4:1:	4:4:4:4:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CC3)(H)	C(C[6]C[6]O[6]H)(CH3)3	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(C[6]C[6]O[6]H)(CH3)3	H(C[6]C[6]O[6]C)	105.4580	0.000	1	105.4580	0.000	1	107.5082	1.167	6	107.5082	1.167	6	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:4:4:1:	4:4:4:4:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](O[6]In[3x6])(C[6]P[6]HH)(CC3)(H)	C(C[6]C[6]O[6]H)(CH3)3	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(C[6]C[6]O[6]H)(CH3)3	H(C[6]C[6]O[6]C)	107.8213	0.570	3	107.8213	0.325	3	107.5082	1.167	6	107.5082	1.167	6	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	2:4:4:1:	4:4:4:4:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](O[6]In[6,6])(C[6]P[6]HH)(CC3)(H)	C(C[6]C[6]O[6]H)(CH3)3	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(C[6]C[6]O[6]H)(CH3)3	H(C[6]C[6]O[6]C)	108.0635	0.264	2	108.0635	0.070	2	107.5082	1.167	6	107.5082	1.167	6	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:1:1:1:	4:	C[5,6]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6a])(CH3)(H)	C(C[6]C[5,6]O[6]H)(H)3	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6a])(CH3)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C(C[6]C[5,6]O[6]H)(H)3	H(C[6]C[5,6]O[6]C)	108.0320	0.000	1	108.0320	0.000	1	108.0320	0.000	1	108.5287	2.351	53	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:1:1:1:	4:	C[5a,6]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6,6a])(CH3)(H)	C(C[6]C[5a,6]O[6]H)(H)3	H(C[6]C[5a,6]O[6]C)	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6,6a])(CH3)(H){1|N<3>,4|C<3>}	C(C[6]C[5a,6]O[6]H)(H)3	H(C[6]C[5a,6]O[6]C)	108.1500	0.000	1	108.1500	0.000	1	108.1500	0.000	1	108.5287	2.351	53	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:1:1:1:	4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:Cl-1:Cl-1:Cl-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[6])(CCl3)(H)	C(C[6]C[6,6a]O[6]H)(Cl)3	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[6])(CCl3)(H){1|H<1>,1|S<1>,2|C<3>,2|O<2>}	C(C[6]C[6,6a]O[6]H)(Cl)3	H(C[6]C[6,6a]O[6]C)	103.6010	0.000	1	103.6010	0.000	1	103.6010	0.000	1	108.5287	2.351	53	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:1:1:1:	4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:F-1:F-1:F-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(H)	C(C[6]C[6,6a]O[6]H)(F)3	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(H){1|C<3>,1|H<1>,1|O<1>,3|N<3>}	C(C[6]C[6,6a]O[6]H)(F)3	H(C[6]C[6,6a]O[6]C)	107.5410	0.000	1	107.5348	0.342	4	107.5348	0.342	4	108.5287	2.351	53	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:1:1:1:	4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:F-1:F-1:F-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(H)	C(C[6]C[6,6a]O[6]H)(F)3	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(H){1|H<1>,1|N<2>,3|C<3>}	C(C[6]C[6,6a]O[6]H)(F)3	H(C[6]C[6,6a]O[6]C)	106.7060	0.000	1	107.5348	0.342	4	107.5348	0.342	4	108.5287	2.351	53	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:1:1:1:	4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:F-1:F-1:F-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(H)	C(C[6]C[6,6a]O[6]H)(F)3	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[6,6a]O[6]H)(F)3	H(C[6]C[6,6a]O[6]C)	107.9460	0.000	2	107.5348	0.342	4	107.5348	0.342	4	108.5287	2.351	53	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:1:1:1:	4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CH3)(H)	C(C[6]C[6,6a]O[6]H)(H)3	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6a]O[6]H)(H)3	H(C[6]C[6,6a]O[6]C)	109.0195	0.368	2	109.0195	0.136	2	108.1298	0.754	12	108.5287	2.351	53	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:1:1:1:	4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CH3)(H)	C(C[6]C[6,6a]O[6]H)(H)3	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CH3)(H){1|H<1>,4|C<3>}	C(C[6]C[6,6a]O[6]H)(H)3	H(C[6]C[6,6a]O[6]C)	108.9080	0.000	1	108.1243	0.461	3	108.1298	0.754	12	108.5287	2.351	53	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:1:1:1:	4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CH3)(H)	C(C[6]C[6,6a]O[6]H)(H)3	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CH3)(H){5|C<3>}	C(C[6]C[6,6a]O[6]H)(H)3	H(C[6]C[6,6a]O[6]C)	107.7325	0.029	2	108.1243	0.461	3	108.1298	0.754	12	108.5287	2.351	53	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:1:1:1:	4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CH3)(H)	C(C[6]C[6,6a]O[6]H)(H)3	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]O[6]H)(H)3	H(C[6]C[6,6a]O[6]C)	108.4150	0.000	1	108.2720	1.250	4	108.1298	0.754	12	108.5287	2.351	53	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:1:1:1:	4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CH3)(H)	C(C[6]C[6,6a]O[6]H)(H)3	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CH3)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C(C[6]C[6,6a]O[6]H)(H)3	H(C[6]C[6,6a]O[6]C)	108.2243	1.365	3	108.2720	1.250	4	108.1298	0.754	12	108.5287	2.351	53	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:1:1:1:	4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]N[5,6])(CH3)(H)	C(C[6]C[6,6a]O[6]H)(H)3	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]N[5,6])(CH3)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C(C[6]C[6,6a]O[6]H)(H)3	H(C[6]C[6,6a]O[6]C)	107.3527	0.059	3	107.3527	0.003	3	108.1298	0.754	12	108.5287	2.351	53	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:1:1:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6]O)(O[6]C[6])(CH3)(H){1|C<3>,1|O<1>,2|C<4>}	C(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	108.2640	0.047	2	108.2640	0.002	2	108.8971	2.781	28	108.5287	2.351	53	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:1:1:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]H)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]H)(O[6]C[6])(CH3)(H){1|C<3>,1|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	108.9280	0.000	1	108.8355	0.017	2	108.8971	2.781	28	108.5287	2.351	53	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:1:1:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]H)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]H)(O[6]C[6])(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	108.7430	0.000	1	108.8355	0.017	2	108.8971	2.781	28	108.5287	2.351	53	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:1:1:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]H)(O[6]N[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]H)(O[6]N[6])(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	109.6200	0.000	1	108.2325	3.850	2	108.8971	2.781	28	108.5287	2.351	53	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:1:1:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]H)(O[6]N[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]H)(O[6]N[6])(CH3)(H){1|C<4>,2|C<3>}	C(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	106.8450	0.000	1	108.2325	3.850	2	108.8971	2.781	28	108.5287	2.351	53	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:1:1:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]O)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]O)(O[6]C[6])(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	106.5270	0.000	1	106.5270	0.000	1	108.8971	2.781	28	108.5287	2.351	53	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:1:1:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]O)(O[6]C[6,6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	C[6](C[6]N[5,6]O)(O[6]C[6,6])(CH3)(H){1|C<4>,1|O<2>,2|C<3>}	C(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	109.3550	0.000	1	109.3550	0.000	1	108.8971	2.781	28	108.5287	2.351	53	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:1:1:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]O)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]O)(O[6]C[6])(CH3)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	108.4163	0.402	3	108.4163	0.162	3	108.8971	2.781	28	108.5287	2.351	53	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:1:1:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]O)(O[6]P[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]O)(O[6]P[6])(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	109.6460	0.000	1	109.6460	0.000	1	108.8971	2.781	28	108.5287	2.351	53	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:1:1:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H){1|C<3>,1|O<1>}	C(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	111.4450	5.842	2	109.3731	5.389	12	108.8971	2.781	28	108.5287	2.351	53	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:1:1:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H){1|C<4>,1|O<1>}	C(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	109.0873	1.657	6	109.3731	5.389	12	108.8971	2.781	28	108.5287	2.351	53	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:1:1:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H){1|C<4>,1|O<2>}	C(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	108.3455	0.013	2	109.3731	5.389	12	108.8971	2.781	28	108.5287	2.351	53	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:1:1:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H){1|C<4>,1|S<1>}	C(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	109.1860	0.395	2	109.3731	5.389	12	108.8971	2.781	28	108.5287	2.351	53	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:1:1:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]S)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	C[6](C[6]O[6]S)(O[6]C[6])(CH3)(H){1|C<4>,1|O<1>}	C(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	108.7475	0.261	2	108.8003	0.032	4	108.8971	2.781	28	108.5287	2.351	53	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:1:1:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]S)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	C[6](C[6]O[6]S)(O[6]C[6])(CH3)(H){1|C<4>,1|S<1>}	C(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	108.8530	0.129	2	108.8003	0.032	4	108.8971	2.781	28	108.5287	2.351	53	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:1:1:1:	4:	N[6]-3:N[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](N[6]N[6]C)(N[6]N[6])(CH3)(H)	C(C[6]N[6]2H)(H)3	H(C[6]N[6]2C)	C[6](N[6]N[6]C)(N[6]N[6])(CH3)(H){1|C<3>}	C(C[6]N[6]2H)(H)3	H(C[6]N[6]2C)	108.9930	0.119	2	108.9930	0.014	2	109.0790	0.029	3	108.5287	2.351	53	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:1:1:1:	4:	N[6]-3:N[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](N[6]N[6]H)(N[6]N[6])(CH3)(H)	C(C[6]N[6]2H)(H)3	H(C[6]N[6]2C)	C[6](N[6]N[6]H)(N[6]N[6])(CH3)(H){1|C<3>}	C(C[6]N[6]2H)(H)3	H(C[6]N[6]2C)	109.2510	0.000	1	109.2510	0.000	1	109.0790	0.029	3	108.5287	2.351	53	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:1:1:1:	4:	N[6]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](N[6]C[5,5,6]H)(O[6]C[6])(CH3)(H)	C(C[6]N[6]O[6]H)(H)3	H(C[6]N[6]O[6]C)	C[6](N[6]C[5,5,6]H)(O[6]C[6])(CH3)(H){2|H<1>,3|C<4>}	C(C[6]N[6]O[6]H)(H)3	H(C[6]N[6]O[6]C)	108.9830	0.000	1	108.9830	0.000	1	108.9830	0.000	1	108.5287	2.351	53	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:1:1:1:	4:	S[6]-3:S[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](S[6]C[6]N)(S[6]C[6])(CH3)(H)	C(C[6]S[6]2H)(H)3	H(C[6]S[6]2C)	C[6](S[6]C[6]N)(S[6]C[6])(CH3)(H){1|C<4>,1|S<2>,3|H<1>}	C(C[6]S[6]2H)(H)3	H(C[6]S[6]2C)	109.6020	0.206	2	109.6020	0.043	2	109.6020	0.043	2	108.5287	2.351	53	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:2:1:1:	4:	C[6,6a]-3:N[6]-2:C-4:H-1:	C[6]-4:C-2:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6])(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(CN)(H)2	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6])(CCHH)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C(C[6]C[6,6a]N[6]H)(CN)(H)2	H(C[6]C[6,6a]N[6]C)	107.1500	0.000	1	107.1500	0.000	1	107.1500	0.000	1	108.1437	0.656	15	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:2:1:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]C)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[3,6]C)(O[6]C[6])(CHHO)(H){2|C<4>,3|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	H(C[6]C[6]O[6]C)	107.3270	0.000	1	107.3270	0.000	1	108.2523	0.682	12	108.1437	0.656	15	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:2:1:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]O)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OSi)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[5,6]O)(O[6]C[6])(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(OSi)(H)2	H(C[6]C[6]O[6]C)	108.6190	0.000	1	108.6190	0.000	1	108.2523	0.682	12	108.1437	0.656	15	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:2:1:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]O)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[5a,6]O)(O[6]C[6])(CHHO)(H){1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6]O[6]H)(OC)(H)2	H(C[6]C[6]O[6]C)	108.6910	0.000	1	108.6910	0.000	1	108.2523	0.682	12	108.1437	0.656	15	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:2:1:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]H)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC[6a])(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]H)(O[6]C[6])(CHHO)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(OC[6a])(H)2	H(C[6]C[6]O[6]C)	107.0680	0.000	1	107.0680	0.000	1	108.2523	0.682	12	108.1437	0.656	15	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:2:1:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]H)(O[6]N[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]H)(O[6]N[6])(CHHO)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	H(C[6]C[6]O[6]C)	108.6240	0.000	1	108.6240	0.000	1	108.2523	0.682	12	108.1437	0.656	15	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:2:1:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]O)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]O)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(OC)(H)2	H(C[6]C[6]O[6]C)	108.9650	0.000	1	108.3650	0.720	2	108.2523	0.682	12	108.1437	0.656	15	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:2:1:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]O)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]O)(O[6]C[6])(CHHO)(H){1|C<4>,3|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	H(C[6]C[6]O[6]C)	107.7650	0.000	1	108.3650	0.720	2	108.2523	0.682	12	108.1437	0.656	15	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:2:1:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]O)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]O[6]O)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	H(C[6]C[6]O[6]C)	108.3938	0.991	5	108.3938	0.982	5	108.2523	0.682	12	108.1437	0.656	15	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:2:1:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:S-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]O)(O[6]C[6])(CHHS)(H)	C(C[6]C[6]O[6]H)(SC)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]O[6]O)(O[6]C[6])(CHHS)(H){1|C<4>,1|O<1>}	C(C[6]C[6]O[6]H)(SC)(H)2	H(C[6]C[6]O[6]C)	107.4850	0.000	1	107.4850	0.000	1	107.4850	0.000	1	108.1437	0.656	15	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:2:1:1:	4:	N[6]-3:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]H)(O[6]C[6])(CHHO)(H)	C(C[6]N[6]O[6]H)(OC)(H)2	H(C[6]N[6]O[6]C)	C[6](N[6]C[6]H)(O[6]C[6])(CHHO)(H){2|H<1>,3|C<4>}	C(C[6]N[6]O[6]H)(OC)(H)2	H(C[6]N[6]O[6]C)	108.4920	0.000	1	108.4920	0.000	1	108.4920	0.000	1	108.1437	0.656	15	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:3:1:1:	4:	C[5a,6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(O[6]C[6])(CCHH)(H)	C(C[6]C[5a,6]O[6]H)(COO)(H)2	H(C[6]C[5a,6]O[6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(O[6]C[6])(CCHH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C(C[6]C[5a,6]O[6]H)(COO)(H)2	H(C[6]C[5a,6]O[6]C)	109.9880	0.000	2	109.7640	0.088	6	109.7640	0.088	6	108.5756	1.363	21	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:3:1:1:	4:	C[5a,6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(O[6]C[6])(CCHH)(H)	C(C[6]C[5a,6]O[6]H)(COO)(H)2	H(C[6]C[5a,6]O[6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(O[6]C[6])(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C(C[6]C[5a,6]O[6]H)(COO)(H)2	H(C[6]C[5a,6]O[6]C)	109.9220	0.000	2	109.7640	0.088	6	109.7640	0.088	6	108.5756	1.363	21	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:3:1:1:	4:	C[5a,6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(O[6]C[6])(CCHH)(H)	C(C[6]C[5a,6]O[6]H)(COO)(H)2	H(C[6]C[5a,6]O[6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(O[6]C[6])(CCHH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C(C[6]C[5a,6]O[6]H)(COO)(H)2	H(C[6]C[5a,6]O[6]C)	109.3820	0.000	2	109.7640	0.088	6	109.7640	0.088	6	108.5756	1.363	21	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:3:1:1:	4:	C[6,6a]-3:N[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6])(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(COO)(H)2	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6])(CCHH)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C(C[6]C[6,6a]N[6]H)(COO)(H)2	H(C[6]C[6,6a]N[6]C)	106.8040	0.000	1	106.8040	0.000	1	106.8040	0.000	1	108.5756	1.363	21	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:3:1:1:	4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CCHH)(H)	C(C[6]C[6,6a]O[6]H)(COO)(H)2	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CCHH)(H){1|H<1>,4|C<3>}	C(C[6]C[6,6a]O[6]H)(COO)(H)2	H(C[6]C[6,6a]O[6]C)	108.4210	0.000	1	108.4210	0.000	1	108.4890	1.035	4	108.5756	1.363	21	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:3:1:1:	4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCHH)(H)	C(C[6]C[6,6a]O[6]H)(COO)(H)2	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCHH)(H){1|C<4>,4|C<3>}	C(C[6]C[6,6a]O[6]H)(COO)(H)2	H(C[6]C[6,6a]O[6]C)	107.7940	0.000	1	107.7940	0.000	1	108.4890	1.035	4	108.5756	1.363	21	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:3:1:1:	4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCHH)(H)	C(C[6]C[6,6a]O[6]H)(CC[6a]C[5])(H)2	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]O[6]H)(CC[6a]C[5])(H)2	H(C[6]C[6,6a]O[6]C)	107.7920	0.000	1	107.7920	0.000	1	108.4890	1.035	4	108.5756	1.363	21	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:3:1:1:	4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]N[6])(CCHH)(H)	C(C[6]C[6,6a]O[6]H)(COO)(H)2	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]N[6])(CCHH)(H){1|H<1>,4|C<3>}	C(C[6]C[6,6a]O[6]H)(COO)(H)2	H(C[6]C[6,6a]O[6]C)	109.9490	0.000	1	109.9490	0.000	1	108.4890	1.035	4	108.5756	1.363	21	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:3:1:1:	4:	C[6,6a]-3:O[6]-2: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])(O[6]C[6])(CC[6]HH)(H)	C(C[6]C[6,6a]O[6]H)(C[6]C[6]O[6])(H)2	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CC[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]O[6]H)(C[6]C[6]O[6])(H)2	H(C[6]C[6,6a]O[6]C)	106.9070	0.000	1	106.9070	0.000	1	106.9070	0.000	1	108.5756	1.363	21	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:3:1:1:	4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CHHN)(H)	C(C[6]C[6,6a]O[6]H)(NOO)(H)2	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CHHN)(H){1|H<1>,4|C<3>}	C(C[6]C[6,6a]O[6]H)(NOO)(H)2	H(C[6]C[6,6a]O[6]C)	108.1590	0.000	1	108.1590	0.000	1	108.1590	0.000	1	108.5756	1.363	21	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:3:1:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]H)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]H)(O[6]C[6])(CCHH)(H){2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CCH)(H)2	H(C[6]C[6]O[6]C)	109.6450	0.000	2	109.6450	0.000	2	108.8858	1.047	4	108.5756	1.363	21	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:3:1:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]H)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(COO)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]H)(O[6]C[6])(CCHH)(H){2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(COO)(H)2	H(C[6]C[6]O[6]C)	108.1265	0.914	2	108.1265	0.836	2	108.8858	1.047	4	108.5756	1.363	21	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:3:1:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:S-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]O)(O[6]C[6])(CHHS)(H)	C(C[6]C[6]O[6]H)(SC[6a]O)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]O)(O[6]C[6])(CHHS)(H){1|C<4>,4|H<1>}	C(C[6]C[6]O[6]H)(SC[6a]O)(H)2	H(C[6]C[6]O[6]C)	107.8685	0.183	2	107.8685	0.034	2	107.8685	0.034	2	108.5756	1.363	21	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:3:1:1:	4:	N[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]S)(O[6]C[6])(CCHH)(H)	C(C[6]N[6]O[6]H)(CCO)(H)2	H(C[6]N[6]O[6]C)	C[6](N[6]C[6,6a]S)(O[6]C[6])(CCHH)(H){2|C<3>,2|H<1>}	C(C[6]N[6]O[6]H)(CCO)(H)2	H(C[6]N[6]O[6]C)	107.8170	0.000	1	107.8170	0.000	1	107.8170	0.000	1	108.5756	1.363	21	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:3:1:1:	4:	N[6]-3:S[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(S[6]C[6,6a])(CCHH)(H)	C(C[6]N[6]S[6]H)(COO)(H)2	H(C[6]N[6]S[6]C)	C[6](N[6]C[6a]C[6])(S[6]C[6,6a])(CCHH)(H){1|O<1>,4|C<3>}	C(C[6]N[6]S[6]H)(COO)(H)2	H(C[6]N[6]S[6]C)	106.5810	0.000	1	106.5810	0.000	1	106.5810	0.000	1	108.5756	1.363	21	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:3:2:1:	4:	C[6]-3:C[6]-2:C-4:H-1:	C[6]-4:C[6]-3:S-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6])(CC[6]HS)(H)	C(C[6]C[6]2H)(C[6]C[6]2)(SC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]O)(C[6]C[6])(CC[6]HS)(H){1|C<2>,1|C<3>}	C(C[6]C[6]2H)(C[6]C[6]2)(SC)(H)	H(C[6]C[6]2C)	105.9510	0.000	1	105.9510	0.000	1	105.9510	0.000	1	105.9510	0.000	1	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:3:4:1:	4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:C-3:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCCH)(H)	C(C[6]C[6,6a]O[6]H)(CC[6a]C[5])(CH3)(H)	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCCH)(H){1|H<1>,4|C<3>}	C(C[6]C[6,6a]O[6]H)(CC[6a]C[5])(CH3)(H)	H(C[6]C[6,6a]O[6]C)	107.8850	0.000	1	107.8850	0.000	1	107.8850	0.000	1	108.0545	0.057	2	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:3:4:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]C)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CN[5]O)(CH3)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]C)(O[6]C[6])(CCCH)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CN[5]O)(CH3)(H)	H(C[6]C[6]O[6]C)	108.2240	0.000	1	108.2240	0.000	1	108.2240	0.000	1	108.0545	0.057	2	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:4:1:1:	4:	C[6,6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCHH)(H)	C(C[6]C[6,6]O[6]H)(CH3)(H)2	H(C[6]C[6,6]O[6]C)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCHH)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C(C[6]C[6,6]O[6]H)(CH3)(H)2	H(C[6]C[6,6]O[6]C)	108.6510	0.000	1	108.6510	0.000	1	108.8180	0.056	2	107.2966	1.458	16	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:4:1:1:	4:	C[6,6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6])(O[6]C[6,6])(CCHH)(H)	C(C[6]C[6,6]O[6]H)(CH3)(H)2	H(C[6]C[6,6]O[6]C)	C[6](C[6,6]N[6,6]C[6])(O[6]C[6,6])(CCHH)(H){1|H<1>,4|C<3>}	C(C[6]C[6,6]O[6]H)(CH3)(H)2	H(C[6]C[6,6]O[6]C)	108.9850	0.000	1	108.9850	0.000	1	108.8180	0.056	2	107.2966	1.458	16	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:4:1:1:	4:	C[6,6]-3:O[6]-2: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]O[6])(CC[6]HH)(H)	C(C[6]C[5,6]C[6]H)(C[6]C[6,6]O[6]H)(H)2	H(C[6]C[6,6]O[6]C)	C[6](C[6,6]C[6,6]C[6])(O[6]O[6])(CC[6]HH)(H){5|C<4>}	C(C[6]C[5,6]C[6]H)(C[6]C[6,6]O[6]H)(H)2	H(C[6]C[6,6]O[6]C)	107.7170	0.000	1	107.7170	0.000	1	107.7170	0.000	1	107.2966	1.458	16	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:4:1:1:	4:	C[6,6a]-3:O[6]-2: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])(O[6]C[6])(CC[6]HH)(H)	C(C[6]C[6,6a]O[6]H)(C[6]C[6]O[6]H)(H)2	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CC[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]O[6]H)(C[6]C[6]O[6]H)(H)2	H(C[6]C[6,6a]O[6]C)	106.2520	0.000	1	106.2520	0.000	1	106.5010	0.124	2	107.2966	1.458	16	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:4:1:1:	4:	C[6,6a]-3:O[6]-2: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])(O[6]C[6])(CC[6]HH)(H)	C(C[6]C[6,6a]O[6]H)(C[6]C[6]O[6]O)(H)2	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CC[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]O[6]H)(C[6]C[6]O[6]O)(H)2	H(C[6]C[6,6a]O[6]C)	106.7500	0.000	1	106.7500	0.000	1	106.5010	0.124	2	107.2966	1.458	16	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:4:1:1:	4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:S-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CHHS)(H)	C(C[6]C[6,6a]O[6]H)(SC[6a]OO)(H)2	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CHHS)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]O[6]H)(SC[6a]OO)(H)2	H(C[6]C[6,6a]O[6]C)	108.9730	0.000	1	108.9730	0.000	1	108.9730	0.000	1	107.2966	1.458	16	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:4:1:1:	4:	C[6]-3:N[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6])(CC[6]HH)(H)	C(C[6]C[6]N[6]H)(C[6]C[6]2H)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6])(CC[6]HH)(H){1|C<4>,1|O<2>}	C(C[6]C[6]N[6]H)(C[6]C[6]2H)(H)2	H(C[6]C[6]N[6]C)	106.4300	0.000	1	106.4300	0.000	1	106.4300	0.000	1	107.2966	1.458	16	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:4:1:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[3]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]O)(O[6]C[6])(CC[3]HH)(H)	C(C[3]C[3]O[3]C)(C[6]C[6]O[6]H)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]O)(O[6]C[6])(CC[3]HH)(H){2|C<4>,3|H<1>}	C(C[3]C[3]O[3]C)(C[6]C[6]O[6]H)(H)2	H(C[6]C[6]O[6]C)	106.6460	0.000	1	106.6460	0.000	1	106.6460	0.000	1	107.2966	1.458	16	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:4:1:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]C)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CC[6a]HH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]C)(O[6]C[6])(CCHH)(H){1|C<3>,4|H<1>}	C(C[6]C[6]O[6]H)(CC[6a]HH)(H)2	H(C[6]C[6]O[6]C)	108.2810	0.000	1	107.9550	0.213	2	107.9120	0.161	4	107.2966	1.458	16	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:4:1:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]C)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CC[6a]HH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]C)(O[6]C[6])(CCHH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]O[6]H)(CC[6a]HH)(H)2	H(C[6]C[6]O[6]C)	107.6290	0.000	1	107.9550	0.213	2	107.9120	0.161	4	107.2966	1.458	16	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:4:1:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]O)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCHH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]O)(O[6]C[6])(CCHH)(H){1|C<3>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(CCHH)(H)2	H(C[6]C[6]O[6]C)	107.5070	0.000	1	107.5070	0.000	1	107.9120	0.161	4	107.2966	1.458	16	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:4:1:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(O[6]C[5,6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCHH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6a]C[6])(O[6]C[5,6])(CCHH)(H){5|C<3>}	C(C[6]C[6]O[6]H)(CCHH)(H)2	H(C[6]C[6]O[6]C)	108.2310	0.000	1	108.2310	0.000	1	107.9120	0.161	4	107.2966	1.458	16	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:4:1:1:	4:	C[6]-3: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[6,6a]O)(O[6]C[6])(CC[6]HH)(H)	C(C[6]C[6,6a]O[6]H)(C[6]C[6]O[6]H)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]O)(O[6]C[6])(CC[6]HH)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6,6a]O[6]H)(C[6]C[6]O[6]H)(H)2	H(C[6]C[6]O[6]C)	104.3360	0.000	1	104.3360	0.000	1	106.1735	1.532	4	107.2966	1.458	16	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:4:1:1:	4:	C[6]-3: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]C)(O[6]O[6])(CC[6]HH)(H)	C(C[6]C[6]O[6]H)(C[6]C[6]2C)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]C)(O[6]O[6])(CC[6]HH)(H){1|C<4>,1|H<1>}	C(C[6]C[6]O[6]H)(C[6]C[6]2C)(H)2	H(C[6]C[6]O[6]C)	106.7860	0.217	3	106.7860	0.047	3	106.1735	1.532	4	107.2966	1.458	16	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:4:2:1:	4:	C[6]-3:N[6]-2:C-4:H-1:	C[3]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6])(CC[3]HO)(H)	C(C[3]C[3]O[3]C)(C[6]C[6]N[6]H)(OH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6])(CC[3]HO)(H){1|C<4>,1|O<2>}	C(C[3]C[3]O[3]C)(C[6]C[6]N[6]H)(OH)(H)	H(C[6]C[6]N[6]C)	107.6130	0.000	1	107.6130	0.000	1	107.6130	0.000	1	108.8440	3.031	2	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:4:2:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[5]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]O)(O[6]C[6])(CC[5]HO)(H)	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]H)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]O)(O[6]C[6])(CC[5]HO)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]H)(OH)(H)	H(C[6]C[6]O[6]C)	110.0750	0.000	1	110.0750	0.000	1	110.0750	0.000	1	108.8440	3.031	2	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:4:3:1:	4:	C[6,6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCCH)(H)	C(C[6]C[6,6]O[6]H)(CH3)(COO)(H)	H(C[6]C[6,6]O[6]C)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCCH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6,6]O[6]H)(CH3)(COO)(H)	H(C[6]C[6,6]O[6]C)	107.1550	0.000	1	107.1550	0.000	1	107.1550	0.000	1	107.1550	0.000	1	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:4:4:1:	4:	C[5a,6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(CCCH)(H)	C(C[6]C[5a,6]O[6]H)(CH3)2(H)	H(C[6]C[5a,6]O[6]C)	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(CCCH)(H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C(C[6]C[5a,6]O[6]H)(CH3)2(H)	H(C[6]C[5a,6]O[6]C)	110.1915	0.671	2	110.1915	0.450	2	110.1915	0.450	2	107.7027	2.179	27	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:4:4:1:	4:	C[6,6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCCH)(H)	C(C[6]C[6,6]O[6]H)(CH3)2(H)	H(C[6]C[6,6]O[6]C)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCCH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6,6]O[6]H)(CH3)2(H)	H(C[6]C[6,6]O[6]C)	107.4665	0.166	2	107.4665	0.028	2	107.4665	0.028	2	107.7027	2.179	27	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:4:4:1:	4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]N[6,6a]N[6a])(O[6]C[6])(CCCH)(H)	C(C[6]C[6,6a]O[6]H)(CH3)2(H)	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]N[6,6a]N[6a])(O[6]C[6])(CCCH)(H){1|H<1>,1|N<2>,2|C<3>}	C(C[6]C[6,6a]O[6]H)(CH3)2(H)	H(C[6]C[6,6a]O[6]C)	107.0170	0.000	1	107.0170	0.000	1	107.0170	0.000	1	107.7027	2.179	27	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:4:4:1:	4:	C[6]-3:N[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6])(CCCH)(H)	C(C[6]C[6]N[6]H)(CH3)2(H)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6])(CCCH)(H){1|C<4>,1|O<2>}	C(C[6]C[6]N[6]H)(CH3)2(H)	H(C[6]C[6]N[6]C)	106.4202	1.288	10	106.4202	1.660	10	106.4202	1.660	10	107.7027	2.179	27	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:4:4:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]H)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CCHH)(CHHO)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]H)(O[6]C[6])(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CCHH)(CHHO)(H)	H(C[6]C[6]O[6]C)	107.6620	0.000	1	107.6620	0.000	1	108.5300	0.523	10	107.7027	2.179	27	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:4:4:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]O)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CCHH)(CH3)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]O)(O[6]C[6])(CCCH)(H){1|C<4>,1|N<2>,1|O<2>}	C(C[6]C[6]O[6]H)(CCHH)(CH3)(H)	H(C[6]C[6]O[6]C)	107.7110	0.000	1	107.7110	0.000	1	108.5300	0.523	10	107.7027	2.179	27	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:4:4:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]O)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CH3)2(H)	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]O)(O[6]C[6])(CCCH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]O[6]H)(CH3)2(H)	H(C[6]C[6]O[6]C)	109.4660	0.000	1	108.7409	0.418	8	108.5300	0.523	10	107.7027	2.179	27	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:4:4:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]O)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CH3)2(H)	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]O)(O[6]C[6])(CCCH)(H){1|C<4>,1|O<1>}	C(C[6]C[6]O[6]H)(CH3)2(H)	H(C[6]C[6]O[6]C)	108.6373	0.622	7	108.7409	0.418	8	108.5300	0.523	10	107.7027	2.179	27	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:4:4:1:	4:	N[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](N[6]C[6]H)(O[6]C[6])(CCCH)(H)	C(C[6]N[6]O[6]H)(CH3)2(H)	H(C[6]N[6]O[6]C)	C[6](N[6]C[6]H)(O[6]C[6])(CCCH)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]N[6]O[6]H)(CH3)2(H)	H(C[6]N[6]O[6]C)	108.0690	0.107	2	108.0690	0.012	2	108.0690	0.012	2	107.7027	2.179	27	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:4:4:2:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6a]H)(O[6]C[6])(CCCO)(H)	C(C[6]C[6]O[6]H)(CH3)2(OH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]H)(O[6]C[6])(CCCO)(H){2|C<3>,2|H<1>}	C(C[6]C[6]O[6]H)(CH3)2(OH)	H(C[6]C[6]O[6]C)	106.0840	0.000	1	106.0840	0.000	1	106.0840	0.000	1	106.0840	0.000	1	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:4:4:4:	4:	C[6,6a]-3:S[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(CC3)(H)	C(C[6]C[6,6a]S[6]H)(CH3)3	H(C[6]C[6,6a]S[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(CC3)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]S[6]H)(CH3)3	H(C[6]C[6,6a]S[6]C)	105.2790	0.000	1	105.2790	0.000	1	105.2790	0.000	1	106.3270	1.343	5	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:4:4:4:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[6]N[6]O)(O[6]C[6])(CC3)(H)	C(C[6]C[6]O[6]H)(CH3)3	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]O)(O[6]C[6])(CC3)(H){1|C<4>,1|O<1>}	C(C[6]C[6]O[6]H)(CH3)3	H(C[6]C[6]O[6]C)	105.6290	0.000	1	105.6290	0.000	1	106.8973	1.429	3	106.3270	1.343	5	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:4:4:4:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[6]O[6]O)(O[6]C[6])(CC3)(H)	C(C[6]C[6]O[6]H)(CHHO)(CH3)2	H(C[6]C[6]O[6]C)	C[6](C[6]O[6]O)(O[6]C[6])(CC3)(H){1|C<4>,1|O<1>}	C(C[6]C[6]O[6]H)(CHHO)(CH3)2	H(C[6]C[6]O[6]C)	107.5315	0.667	2	107.5315	0.445	2	106.8973	1.429	3	106.3270	1.343	5	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:2:4:1:	4:4:4:4:	4:	N[6]-3:N[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](N[6]C[6]C)(N[6]C[6])(CC3)(H)	C(C[6]N[6]2H)(CH3)3	H(C[6]N[6]2C)	C[6](N[6]C[6]C)(N[6]C[6])(CC3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]N[6]2H)(CH3)3	H(C[6]N[6]2C)	105.6640	0.000	1	105.6640	0.000	1	105.6640	0.000	1	106.3270	1.343	5	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	3:3:3:4:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)2(CC[6a]3)(H)	C(C[6a]C[6a]2)3(C[6]C[6]2H)	H(C[6]C[6]2C)	C[6](C[6]C[6]H)2(CC[6a]3)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)3(C[6]C[6]2H)	H(C[6]C[6]2C)	106.9500	0.000	1	106.8940	0.006	2	106.8940	0.006	2	106.8940	0.006	2	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	3:3:3:4:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)2(CC[6a]3)(H)	C(C[6a]C[6a]2)3(C[6]C[6]2H)	H(C[6]C[6]2C)	C[6](C[6]C[6]H)2(CC[6a]3)(H){1|N<3>,2|H<1>}	C(C[6a]C[6a]2)3(C[6]C[6]2H)	H(C[6]C[6]2C)	106.8380	0.000	1	106.8940	0.006	2	106.8940	0.006	2	106.8940	0.006	2	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[5a]-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]N)(CC[5a]HH)(H)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6,6a]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]N)(CC[5a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6,6a]C[6]H)(H)2	H(C[6]C[6,6a]C[6]C)	108.4500	0.000	1	108.4500	0.000	1	108.4500	0.000	1	107.1927	1.258	23	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	3:4:1:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]O)2(CC[5a]HH)(H)	C(C[5a]C[5a]2)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	C[6](C[6]O[6]O)2(CC[5a]HH)(H){1|C<4>}	C(C[5a]C[5a]2)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	106.1400	0.000	1	106.1400	0.000	1	106.1400	0.000	1	107.1927	1.258	23	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	3:4:1:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]H)(C[6]N[6]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]H)(C[6]N[6]O)(CC[6a]HH)(H){1|H<1>,2|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	106.9560	0.000	2	106.9560	0.000	2	106.9096	1.308	9	107.1927	1.258	23	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	3:4:1:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]H)2(CC[6a]HH)(H){1|N<3>,2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	107.6210	0.000	1	107.0510	0.650	2	106.9096	1.308	9	107.1927	1.258	23	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	3:4:1:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]H)2(CC[6a]HH)(H){1|Si<4>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	106.4810	0.000	1	107.0510	0.650	2	106.9096	1.308	9	107.1927	1.258	23	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	3:4:1:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]O)2(CC[6a]HH)(H)	C(C[6a]C[5,6a]C[6a])(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	C[6](C[6]N[6]O)2(CC[6a]HH)(H){1|C<3>,2|C<4>}	C(C[6a]C[5,6a]C[6a])(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	106.2160	0.000	1	106.2160	0.000	1	106.9096	1.308	9	107.1927	1.258	23	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	3:4:1:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]O)2(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	C[6](C[6]O[6]O)2(CC[6a]HH)(H){1|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	106.9890	1.758	4	106.9890	3.089	4	106.9096	1.308	9	107.1927	1.258	23	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	3:4:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[5]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[5]HH)(H)	C(C[5]C[5,6a]C[5])(C[6]C[6]N[6]H)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[5]HH)(H){1|O<1>,2|C<4>}	C(C[5]C[5,6a]C[5])(C[6]C[6]N[6]H)(H)2	H(C[6]C[6]N[6]C)	107.3450	0.000	1	107.3450	0.000	1	107.3450	0.000	1	107.1927	1.258	23	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	3:4:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CC[5a]HH)(H)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CC[5a]HH)(H){1|O<1>,2|C<4>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	H(C[6]C[6]N[6]C)	108.8160	0.000	1	108.8160	0.000	1	107.1599	0.825	10	107.1927	1.258	23	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	3:4:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[5a]HH)(H)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[5a]HH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	H(C[6]C[6]N[6]C)	106.3130	0.399	3	106.5855	0.403	4	107.1599	0.825	10	107.1927	1.258	23	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	3:4:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[5a]HH)(H)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[5a]HH)(H){1|O<1>,2|C<4>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	H(C[6]C[6]N[6]C)	107.4030	0.000	1	106.5855	0.403	4	107.1599	0.825	10	107.1927	1.258	23	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	3:4:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5a]HH)(H)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5a]HH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	H(C[6]C[6]N[6]C)	107.5950	0.000	1	107.2882	0.517	5	107.1599	0.825	10	107.1927	1.258	23	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	3:4:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5a]HH)(H)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5a]HH)(H){1|O<1>,2|C<4>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	H(C[6]C[6]N[6]C)	107.2115	0.807	4	107.2882	0.517	5	107.1599	0.825	10	107.1927	1.258	23	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	3:4:1:1:	4:	N[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(N[6]S[6]H)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[6]N[6]2H)(H)2	H(C[6]N[6]2C)	C[6](N[6]C[6,6a]H)(N[6]S[6]H)(CC[6a]HH)(H){2|C<3>,2|O<1>}	C(C[6a]C[6a]2)(C[6]N[6]2H)(H)2	H(C[6]N[6]2C)	109.7120	0.000	1	109.7120	0.000	1	109.7120	0.000	1	107.1927	1.258	23	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	3:4:2:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C-2:H-1:	C[6]-4:	C[6](C[6]O[6]O)2(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CC)(H)	H(C[6]C[6]2C)	C[6](C[6]O[6]O)2(CC[6a]CH)(H){1|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CC)(H)	H(C[6]C[6]2C)	106.9400	0.000	1	106.9400	0.000	1	106.9400	0.000	1	105.0730	13.887	3	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	3:4:2:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OSi)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HO)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(OSi)(H)	H(C[6]C[6]2C)	100.7820	0.000	1	100.7820	0.000	1	100.7820	0.000	1	105.0730	13.887	3	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	3:4:2:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]O[6]O)(N[6]C[6]C)(CC[6a]HO)(H)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(OC)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]O[6]O)(N[6]C[6]C)(CC[6a]HO)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(OC)(H)	H(C[6]C[6]N[6]C)	107.4970	0.000	1	107.4970	0.000	1	107.4970	0.000	1	105.0730	13.887	3	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	3:4:3:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(CC[6a]HN)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(NHS)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]H)2(CC[6a]HN)(H){1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(NHS)(H)	H(C[6]C[6]2C)	107.4560	0.000	1	107.4560	0.000	1	107.4560	0.000	1	107.9270	0.418	3	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	3:4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CC[6a]2H)(H)	C(C[6a]C[6a]O[6a])(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]H)(N[6]C[6]C)(CC[6a]2H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]O[6a])(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)	H(C[6]C[6]N[6]C)	107.6610	0.000	1	107.6610	0.000	1	107.6610	0.000	1	107.9270	0.418	3	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	3:4:3:1:	4:	N[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](N[6]C[6]S)2(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[6]N[6]2H)(COO)(H)	H(C[6]N[6]2C)	C[6](N[6]C[6]S)2(CC[6a]CH)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]N[6]2H)(COO)(H)	H(C[6]N[6]2C)	108.6640	0.000	1	108.6640	0.000	1	108.6640	0.000	1	107.9270	0.418	3	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	3:4:4:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]O)2(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]N[6]O)2(CC[6a]CH)(H){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	H(C[6]C[6]2C)	104.8255	0.525	2	104.8255	0.276	2	105.8021	1.518	7	105.9879	1.577	8	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	3:4:4:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]O)2(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHN)(H)	H(C[6]C[6]2C)	C[6](C[6]O[6]O)2(CC[6a]CH)(H){1|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHN)(H)	H(C[6]C[6]2C)	105.6577	0.380	4	105.6577	0.145	4	105.8021	1.518	7	105.9879	1.577	8	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	3:4:4:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]O)2(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]O[6]O)2(CC[6a]CH)(H){1|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)(H)	H(C[6]C[6]2C)	108.3330	0.000	1	108.3330	0.000	1	105.8021	1.518	7	105.9879	1.577	8	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	3:4:4:1:	4:	N[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C-4:F-1:	C[6]-4:	C[6](N[6]C[6,6a]C[6a])(N[6]C[6]H)(CC[6a]CF)(H)	C(C[6a]C[6a]2)(C[6]N[6]2H)(CH3)(F)	H(C[6]N[6]2C)	C[6](N[6]C[6,6a]C[6a])(N[6]C[6]H)(CC[6a]CF)(H){1|O<1>,4|C<3>}	C(C[6a]C[6a]2)(C[6]N[6]2H)(CH3)(F)	H(C[6]N[6]2C)	107.2880	0.000	1	107.2880	0.000	1	107.2880	0.000	1	105.9879	1.577	8	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	3:4:4:4:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]O[6]O)2(CC[6a]CC)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]O[6]O)2(CC[6a]CC)(H){1|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(CH3)	H(C[6]C[6]2C)	105.2750	0.000	1	105.2750	0.000	1	105.7984	0.949	9	105.7984	0.949	9	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	3:4:4:4:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]O[6]O)2(CC[6a]CC)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	H(C[6]C[6]2C)	C[6](C[6]O[6]O)2(CC[6a]CC)(H){1|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	H(C[6]C[6]2C)	105.8639	1.020	8	105.8639	1.041	8	105.7984	0.949	9	105.7984	0.949	9	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:1:1:1:	4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-4:Cl-1:Cl-1:Cl-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CCl3)(H)	C(C[6]C[5a,6]N[6]H)(Cl)3	H(C[6]C[5a,6]N[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CCl3)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[5a,6]N[6]H)(Cl)3	H(C[6]C[5a,6]N[6]C)	108.8140	0.000	1	108.8140	0.000	1	106.1280	14.429	2	105.3484	189.267	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:1:1:1:	4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-4:Cl-1:Cl-1:Cl-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6a]C[6])(CCl3)(H)	C(C[6]C[5a,6]N[6]H)(Cl)3	H(C[6]C[5a,6]N[6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6a]C[6])(CCl3)(H){1|O<2>,6|C<3>}	C(C[6]C[5a,6]N[6]H)(Cl)3	H(C[6]C[5a,6]N[6]C)	103.4420	0.000	1	103.4420	0.000	1	106.1280	14.429	2	105.3484	189.267	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:1:1:1:	4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CH3)(H)	C(C[6]C[5a,6]N[6]H)(H)3	H(C[6]C[5a,6]N[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[5a,6]N[6]H)(H)3	H(C[6]C[5a,6]N[6]C)	107.5160	0.000	1	107.5160	0.000	1	107.5160	0.000	1	105.3484	189.267	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:1:1:1:	4:	C[6,6]-3:C[6,6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])2(CH3)(H)	C(C[6]C[6,6]2H)(H)3	H(C[6]C[6,6]2C)	C[6](C[6,6]C[6,6]C[6])2(CH3)(H){1|N<3>,2|O<1>,4|C<4>}	C(C[6]C[6,6]2H)(H)3	H(C[6]C[6,6]2C)	108.0267	0.193	3	108.0267	0.037	3	108.0267	0.037	3	105.3484	189.267	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:1:1:1:	4:	C[6,6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]H)(CH3)(H)	C(C[6]C[6,6]N[6]H)(H)3	H(C[6]C[6,6]N[6]C)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6]N[6]H)(H)3	H(C[6]C[6,6]N[6]C)	109.4220	0.000	1	109.4220	0.000	1	109.4220	0.000	1	105.3484	189.267	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:1:1:1:	4:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6]-4:F-1:F-1:F-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(CF3)(H)	C(C[6]C[6,6a]2H)(F)3	H(C[6]C[6,6a]2C)	C[6](C[6,6a]C[6,6a]C[6a])2(CF3)(H){1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2H)(F)3	H(C[6]C[6,6a]2C)	107.1902	0.552	5	107.4893	0.781	6	107.4893	0.781	6	105.3484	189.267	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:1:1:1:	4:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6]-4:F-1:F-1:F-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(CF3)(H)	C(C[6]C[6,6a]2H)(F)3	H(C[6]C[6,6a]2C)	C[6](C[6,6a]C[6,6a]C[6a])2(CF3)(H){1|H<1>,1|O<1>,2|C<3>,3|N<3>}	C(C[6]C[6,6a]2H)(F)3	H(C[6]C[6,6a]2C)	108.9850	0.000	1	107.4893	0.781	6	107.4893	0.781	6	105.3484	189.267	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:1:1:1:	4:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])2(CH3)(H)	C(C[6]C[6,6a]2H)(H)3	H(C[6]C[6,6a]2C)	C[6](C[6,6a]C[6a,6a]C[6,6a])2(CH3)(H){1|N<3>,6|C<3>}	C(C[6]C[6,6a]2H)(H)3	H(C[6]C[6,6a]2C)	107.3780	0.000	1	107.3780	0.000	1	107.3780	0.000	1	105.3484	189.267	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:1:1:1:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)(H)	C(C[6]C[6,6a]C[6]H)(H)3	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(H)3	H(C[6]C[6,6a]C[6]C)	107.6860	0.000	1	107.6860	0.000	1	106.9023	0.457	4	105.3484	189.267	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:1:1:1:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CH3)(H)	C(C[6]C[6,6a]C[6]H)(H)3	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(H)3	H(C[6]C[6,6a]C[6]C)	106.4105	0.484	2	106.6410	0.277	3	106.9023	0.457	4	105.3484	189.267	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:1:1:1:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CH3)(H)	C(C[6]C[6,6a]C[6]H)(H)3	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CH3)(H){1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(H)3	H(C[6]C[6,6a]C[6]C)	107.1020	0.000	1	106.6410	0.277	3	106.9023	0.457	4	105.3484	189.267	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:1:1:1:	4:	C[6,6a]-3:N[6,6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(CH3)(H)	C(C[6]C[6,6a]N[6,6]H)(H)3	H(C[6]C[6,6a]N[6,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(CH3)(H){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6,6a]N[6,6]H)(H)3	H(C[6]C[6,6a]N[6,6]C)	106.7770	0.000	1	106.7770	0.000	1	106.7770	0.000	1	105.3484	189.267	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:1:1:1:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:Cl-1:Cl-1:Cl-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCl3)(H)	C(C[6]C[6,6a]N[6]H)(Cl)3	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCl3)(H){1|C<4>,3|H<1>,4|C<3>}	C(C[6]C[6,6a]N[6]H)(Cl)3	H(C[6]C[6,6a]N[6]C)	106.2340	0.000	1	106.2340	0.000	1	106.2340	0.000	1	105.3484	189.267	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:1:1:1:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]S)(CH3)(H)	C(C[6]C[6,6a]N[6]H)(H)3	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]S)(CH3)(H){1|H<1>,4|C<3>}	C(C[6]C[6,6a]N[6]H)(H)3	H(C[6]C[6,6a]N[6]C)	108.2370	0.000	1	108.2370	0.000	1	107.7559	0.385	8	105.3484	189.267	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:1:1:1:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CH3)(H)	C(C[6]C[6,6a]N[6]H)(H)3	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]H)(H)3	H(C[6]C[6,6a]N[6]C)	106.8955	0.037	2	107.4243	0.840	3	107.7559	0.385	8	105.3484	189.267	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:1:1:1:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CH3)(H)	C(C[6]C[6,6a]N[6]H)(H)3	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CH3)(H){2|H<1>,3|C<3>}	C(C[6]C[6,6a]N[6]H)(H)3	H(C[6]C[6,6a]N[6]C)	108.4820	0.000	1	107.4243	0.840	3	107.7559	0.385	8	105.3484	189.267	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:1:1:1:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CH3)(H)	C(C[6]C[6,6a]N[6]H)(H)3	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]N[6]H)(H)3	H(C[6]C[6,6a]N[6]C)	107.6400	0.000	1	107.6400	0.000	1	107.7559	0.385	8	105.3484	189.267	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:1:1:1:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CH3)(H)	C(C[6]C[6,6a]N[6]H)(H)3	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CH3)(H){2|H<1>,3|C<3>}	C(C[6]C[6,6a]N[6]H)(H)3	H(C[6]C[6,6a]N[6]C)	108.3800	0.000	1	107.9910	0.303	2	107.7559	0.385	8	105.3484	189.267	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:1:1:1:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CH3)(H)	C(C[6]C[6,6a]N[6]H)(H)3	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CH3)(H){3|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]H)(H)3	H(C[6]C[6,6a]N[6]C)	107.6020	0.000	1	107.9910	0.303	2	107.7559	0.385	8	105.3484	189.267	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:1:1:1:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6]S)(CH3)(H)	C(C[6]C[6,6a]N[6]H)(H)3	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6]S)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[6,6a]N[6]H)(H)3	H(C[6]C[6,6a]N[6]C)	107.9150	0.000	1	107.9150	0.000	1	107.7559	0.385	8	105.3484	189.267	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:1:1:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)(H)	C(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.5455	2.023	2	107.5455	4.093	2	95.2789	895.736	21	105.3484	189.267	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:1:1:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(CH3)(H){1|H<1>,2|C<4>}	C(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.5180	0.000	1	106.8157	0.392	3	95.2789	895.736	21	105.3484	189.267	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:1:1:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(CH3)(H){2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.4645	0.210	2	106.8157	0.392	3	95.2789	895.736	21	105.3484	189.267	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:1:1:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C)(C[6]O[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]C)(C[6]O[6]O)(CH3)(H){2|C<3>}	C(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.4880	0.000	1	108.4880	0.000	1	95.2789	895.736	21	105.3484	189.267	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:1:1:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	C[6](C[6]C[6]2)(C[6]C[6]H)(CH3)(H){1|C<4>,3|C<3>}	C(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.7860	0.000	1	106.7860	0.000	1	95.2789	895.736	21	105.3484	189.267	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:1:1:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)(H){1|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.2770	0.000	1	108.2770	0.000	1	95.2789	895.736	21	105.3484	189.267	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:1:1:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]C)2(CH3)(H)	C(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	C[6](C[6]C[6]C)2(CH3)(H){1|B<3>,2|C<4>}	C(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.6280	0.000	1	107.6235	0.662	4	95.2789	895.736	21	105.3484	189.267	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:1:1:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]C)2(CH3)(H)	C(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	C[6](C[6]C[6]C)2(CH3)(H){1|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.2970	0.000	1	107.6235	0.662	4	95.2789	895.736	21	105.3484	189.267	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:1:1:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]C)2(CH3)(H)	C(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	C[6](C[6]C[6]C)2(CH3)(H){1|N<3>,2|C<4>}	C(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.2845	0.118	2	107.6235	0.662	4	95.2789	895.736	21	105.3484	189.267	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:1:1:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]H)(C[6]N[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	C[6](C[6]C[6]H)(C[6]N[6]O)(CH3)(H){1|H<1>,2|C<4>}	C(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.6760	0.000	2	106.6760	0.000	2	95.2789	895.736	21	105.3484	189.267	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:1:1:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(CH3)(H)	C(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	C[6](C[6]C[6]H)2(CH3)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	4.8866	0.000	1	57.1009	2083.821	5	95.2789	895.736	21	105.3484	189.267	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:1:1:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(CH3)(H)	C(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	C[6](C[6]C[6]H)2(CH3)(H){1|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	9.3647	0.000	1	57.1009	2083.821	5	95.2789	895.736	21	105.3484	189.267	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:1:1:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(CH3)(H)	C(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	C[6](C[6]C[6]H)2(CH3)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	90.4177	0.304	3	57.1009	2083.821	5	95.2789	895.736	21	105.3484	189.267	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:1:1:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3)(H)	C(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3)(H){1|Cr<9>,1|Mn<6>,1|C<5>,1|H<1>,2|C<4>}	C(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.6700	0.000	1	106.6700	0.000	1	95.2789	895.736	21	105.3484	189.267	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:1:1:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]O)(C[6]O[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	C[6](C[6]C[6]O)(C[6]O[6]O)(CH3)(H){1|H<1>,2|C<4>}	C(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	105.7480	0.000	1	105.7480	0.000	1	95.2789	895.736	21	105.3484	189.267	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:1:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:Cl-1:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CClHH)(H)	C(C[6]C[6]N[6]H)(Cl)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CClHH)(H){1|O<1>,2|C<4>}	C(C[6]C[6]N[6]H)(Cl)(H)2	H(C[6]C[6]N[6]C)	107.1953	0.206	3	107.1953	0.042	3	107.1953	0.042	3	105.3484	189.267	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:1:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(N[6]C[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	C[6](C[6]C[5,6]H)(N[6]C[6]H)(CH3)(H){1|O<1>,2|C<4>}	C(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	110.2820	0.000	1	110.2820	0.000	1	107.7231	0.876	37	105.3484	189.267	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:1:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)(H){1|C<4>,1|N<2>,1|N<3>}	C(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	105.5100	0.000	1	106.9456	1.759	5	107.7231	0.876	37	105.3484	189.267	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:1:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)(H){1|C<4>,1|N<3>,1|O<1>}	C(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	108.0900	0.000	1	106.9456	1.759	5	107.7231	0.876	37	105.3484	189.267	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:1:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)(H){1|C<4>,1|N<3>,1|S<1>}	C(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	107.0427	1.349	3	106.9456	1.759	5	107.7231	0.876	37	105.3484	189.267	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:1:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]C)(N[6]C[6]S)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	107.2420	0.000	1	107.2420	0.000	1	107.7231	0.876	37	105.3484	189.267	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:1:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]C)(N[6]N[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]C)(N[6]N[6]C)(CH3)(H){1|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	107.4120	0.000	1	107.4120	0.000	1	107.7231	0.876	37	105.3484	189.267	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:1:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]S)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]H)(N[6]C[6]S)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	106.9460	0.000	1	108.5070	1.835	3	107.7231	0.876	37	105.3484	189.267	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:1:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]S)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]H)(N[6]C[6]S)(CH3)(H){2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	109.2875	0.118	2	108.5070	1.835	3	107.7231	0.876	37	105.3484	189.267	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:1:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]H)(N[6]O[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]H)(N[6]O[6]C)(CH3)(H){1|C<4>,1|H<1>}	C(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	108.3630	0.000	1	108.3630	0.000	1	107.7231	0.876	37	105.3484	189.267	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:1:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]H)(N[6]S[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]H)(N[6]S[6]C)(CH3)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	107.1980	0.000	1	107.1980	0.000	1	107.7231	0.876	37	105.3484	189.267	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:1:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]H)(N[6]S[6]S)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]H)(N[6]S[6]S)(CH3)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	107.7115	1.080	2	107.7115	1.166	2	107.7231	0.876	37	105.3484	189.267	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:1:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(N[6]C[6a]O[6])(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	C[6](C[6]C[6a]C[6])(N[6]C[6a]O[6])(CH3)(H){1|C<4>,1|H<1>,4|C<3>}	C(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	107.6020	0.000	1	107.6020	0.000	1	107.7231	0.876	37	105.3484	189.267	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:1:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CH3)(H){1|O<1>,2|C<4>}	C(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	107.8880	0.130	2	107.8880	0.017	2	107.7231	0.876	37	105.3484	189.267	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:1:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CH3)(H){1|O<1>,2|C<4>}	C(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	108.2750	0.000	1	108.2750	0.000	1	107.7231	0.876	37	105.3484	189.267	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:1:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CH3)(H){1|C<3>,1|N<3>,1|O<1>}	C(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	107.4130	0.000	1	107.6850	0.047	6	107.7231	0.876	37	105.3484	189.267	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:1:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CH3)(H){1|C<4>,1|N<3>,1|O<1>}	C(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	107.7394	0.192	5	107.6850	0.047	6	107.7231	0.876	37	105.3484	189.267	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:1:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CH3)(H){1|C<3>,1|N<3>,1|O<1>}	C(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	107.6370	0.000	1	107.9765	0.231	2	107.7231	0.876	37	105.3484	189.267	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:1:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CH3)(H){1|C<4>,1|N<3>,1|O<1>}	C(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	108.3160	0.000	1	107.9765	0.231	2	107.7231	0.876	37	105.3484	189.267	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:1:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	108.1136	0.569	5	107.7170	0.677	7	107.7231	0.876	37	105.3484	189.267	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:1:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)(H){1|C<4>,1|N<3>,1|O<1>}	C(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	106.8120	0.000	1	107.7170	0.677	7	107.7231	0.876	37	105.3484	189.267	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:1:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)(H){1|O<1>,2|C<4>}	C(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	106.6390	0.000	1	107.7170	0.677	7	107.7231	0.876	37	105.3484	189.267	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:1:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]O)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	C[6](C[6]O[6]O)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	106.7685	0.097	2	106.7685	0.009	2	107.7231	0.876	37	105.3484	189.267	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:1:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]O)(N[6]C[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	C[6](C[6]O[6]O)(N[6]C[6]H)(CH3)(H){1|C<4>,1|O<1>}	C(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	108.3150	0.000	1	108.3150	0.000	1	107.7231	0.876	37	105.3484	189.267	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:1:1:1:	4:	C[6]-3:S[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]H)(S[6]N[6]O)(CH3)(H)	C(C[6]C[6]S[6]H)(H)3	H(C[6]C[6]S[6]C)	C[6](C[6]C[6]H)(S[6]N[6]O)(CH3)(H){1|C<4>,1|H<1>,1|S<4>}	C(C[6]C[6]S[6]H)(H)3	H(C[6]C[6]S[6]C)	106.8710	0.000	1	106.8710	0.000	1	106.8710	0.000	1	105.3484	189.267	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:1:1:1:	4:	N[5,6]-3:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(CH3)(H)	C(C[6]N[5,6]C[6]H)(H)3	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(CH3)(H){1|O<1>,4|C<3>}	C(C[6]N[5,6]C[6]H)(H)3	H(C[6]N[5,6]C[6]C)	108.0310	0.000	1	108.0310	0.000	1	108.0310	0.000	1	105.3484	189.267	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:1:1:1:	4:	N[6,6]-3:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6,6a]C[6,6])(C[6]C[6]H)(CH3)(H)	C(C[6]N[6,6]C[6]H)(H)3	H(C[6]N[6,6]C[6]C)	C[6](N[6,6]C[6,6,6a]C[6,6])(C[6]C[6]H)(CH3)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[6]N[6,6]C[6]H)(H)3	H(C[6]N[6,6]C[6]C)	107.6790	0.000	1	107.6790	0.000	1	107.6790	0.000	1	105.3484	189.267	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:1:1:1:	4:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(CH3)(H){1|C<4>,2|C<3>}	C(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	107.3015	1.176	2	107.3015	1.383	2	107.8973	0.519	7	105.3484	189.267	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:1:1:1:	4:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(CH3)(H){1|H<1>,2|C<3>}	C(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	108.6900	0.000	1	108.2715	0.123	4	107.8973	0.519	7	105.3484	189.267	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:1:1:1:	4:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(CH3)(H){3|C<3>}	C(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	108.1320	0.259	3	108.2715	0.123	4	107.8973	0.519	7	105.3484	189.267	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:1:1:1:	4:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](N[6]N[5,6]H)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	C[6](N[6]N[5,6]H)(C[6]C[6]H)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	107.5920	0.000	1	107.5920	0.000	1	107.8973	0.519	7	105.3484	189.267	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:1:1:1:	4:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:I-1:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(CHHI)(H)	C(C[6]C[6]N[6]H)(H)2(I)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(CHHI)(H){3|C<3>}	C(C[6]C[6]N[6]H)(H)2(I)	H(C[6]C[6]N[6]C)	108.7370	0.000	1	108.7370	0.000	1	108.7370	0.000	1	105.3484	189.267	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:1:1:1:	4:	N[6]-3:N[6]-3:C-4:H-1:	C[6]-4:Cl-1:Cl-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(N[6]S[6]H)(CCl2H)(H)	C(C[6]N[6]2H)(Cl)2(H)	H(C[6]N[6]2C)	C[6](N[6]C[6,6a]H)(N[6]S[6]H)(CCl2H)(H){2|C<3>,2|O<1>}	C(C[6]N[6]2H)(Cl)2(H)	H(C[6]N[6]2C)	107.8260	0.000	1	107.8260	0.000	1	107.8260	0.000	1	105.3484	189.267	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:1:1:1:	4:	N[6]-3:N[6]-3:C-4:H-1:	C[6]-4:Cl-1:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(N[6]S[6]C)(CClHH)(H)	C(C[6]N[6]2H)(Cl)(H)2	H(C[6]N[6]2C)	C[6](N[6]C[6,6a]H)(N[6]S[6]C)(CClHH)(H){2|C<3>,2|O<1>}	C(C[6]N[6]2H)(Cl)(H)2	H(C[6]N[6]2C)	108.9330	0.000	1	108.9330	0.000	1	108.9330	0.000	1	105.3484	189.267	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:1:1:1:	4:	N[6]-3:N[6]-3:C-4:H-1:	C[6]-4:F-1:F-1:F-1:	C[6]-4:	C[6](N[6]C[5,6]H)(N[6]C[6]O)(CF3)(H)	C(C[6]N[6]2H)(F)3	H(C[6]N[6]2C)	C[6](N[6]C[5,6]H)(N[6]C[6]O)(CF3)(H){1|N<3>,1|O<1>,2|C<3>}	C(C[6]N[6]2H)(F)3	H(C[6]N[6]2C)	109.5420	0.000	1	109.5420	0.000	1	109.5420	0.000	1	105.3484	189.267	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:1:1:1:	4:	N[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(N[6]C[6]2)(CH3)(H)	C(C[6]N[6]2H)(H)3	H(C[6]N[6]2C)	C[6](N[6]C[6,6a]H)(N[6]C[6]2)(CH3)(H){1|H<1>,2|C<3>,3|C<4>}	C(C[6]N[6]2H)(H)3	H(C[6]N[6]2C)	108.6530	0.000	1	108.6530	0.000	1	108.6530	0.000	1	105.3484	189.267	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:1:1:1:	4:	S[6]-3:S[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](S[6]C[6]Co)2(CH3)(H)	C(C[6]S[6]2H)(H)3	H(C[6]S[6]2C)	C[6](S[6]C[6]Co)2(CH3)(H){1|S<3>,2|C<4>,2|H<1>}	C(C[6]S[6]2H)(H)3	H(C[6]S[6]2C)	108.3867	0.383	6	108.3867	0.147	6	108.3867	0.147	6	105.3484	189.267	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:2:1:1:	4:	C[6,6]-3:C[6,6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])2(CHHO)(H)	C(C[6]C[6,6]2H)(OC)(H)2	H(C[6]C[6,6]2C)	C[6](C[6,6]C[6,6]C[6])2(CHHO)(H){1|N<3>,2|O<1>,4|C<4>}	C(C[6]C[6,6]2H)(OC)(H)2	H(C[6]C[6,6]2C)	106.7075	1.271	2	106.7075	1.615	2	106.7075	1.615	2	107.6533	2.819	26	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:2:1:1:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C-2:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(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]O)(CCHH)(H){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(CC)(H)2	H(C[6]C[6,6a]C[6]C)	106.5983	2.364	3	106.5983	5.588	3	106.5580	3.732	4	107.6533	2.819	26	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:2:1:1:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C-2:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CN)(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]O)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(CN)(H)2	H(C[6]C[6,6a]C[6]C)	106.4370	0.000	1	106.4370	0.000	1	106.5580	3.732	4	107.6533	2.819	26	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:2:1:1:	4:	C[6,6a]-3:N[5,6]-3:C-4:H-1:	C[6]-4:C-2:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(CCHH)(H)	C(C[6]C[6,6a]N[5,6]H)(CN)(H)2	H(C[6]C[6,6a]N[5,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(CCHH)(H){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C(C[6]C[6,6a]N[5,6]H)(CN)(H)2	H(C[6]C[6,6a]N[5,6]C)	108.3265	0.216	2	108.3265	0.047	2	108.3265	0.047	2	107.6533	2.819	26	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:2:1:1:	4:	C[6,6a]-3:N[6,6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6,6]C[6,6]C[6])(CHHO)(H)	C(C[6]C[6,6a]N[6,6]H)(OC)(H)2	H(C[6]C[6,6a]N[6,6]C)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6,6]C[6,6]C[6])(CHHO)(H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C(C[6]C[6,6a]N[6,6]H)(OC)(H)2	H(C[6]C[6,6a]N[6,6]C)	108.4720	0.000	1	108.4720	0.000	1	108.4720	0.000	1	107.6533	2.819	26	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:2:1:1:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-2:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(CC)(H)2	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]H)(CC)(H)2	H(C[6]C[6,6a]N[6]C)	108.6410	0.000	1	108.6410	0.000	1	108.6410	0.000	1	107.6533	2.819	26	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:2:1:1:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHO)(H)	C(C[6]C[6,6a]N[6]H)(OC[6a])(H)2	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHO)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]H)(OC[6a])(H)2	H(C[6]C[6,6a]N[6]C)	108.6990	0.000	1	108.6990	0.000	1	107.6077	3.315	6	107.6533	2.819	26	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:2:1:1:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHO)(H)	C(C[6]C[6,6a]N[6]H)(OH)(H)2	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHO)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C(C[6]C[6,6a]N[6]H)(OH)(H)2	H(C[6]C[6,6a]N[6]C)	107.6230	0.006	2	107.6230	0.000	2	107.6077	3.315	6	107.6533	2.819	26	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:2:1:1:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CHHO)(H)	C(C[6]C[6,6a]N[6]H)(OH)(H)2	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CHHO)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]H)(OH)(H)2	H(C[6]C[6,6a]N[6]C)	105.8875	2.023	2	105.8875	4.093	2	107.6077	3.315	6	107.6533	2.819	26	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:2:1:1:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CHHO)(H)	C(C[6]C[6,6a]N[6]H)(OH)(H)2	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CHHO)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C(C[6]C[6,6a]N[6]H)(OH)(H)2	H(C[6]C[6,6a]N[6]C)	109.9260	0.000	1	109.9260	0.000	1	107.6077	3.315	6	107.6533	2.819	26	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:2:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(CHHO)(H)	C(C[6]C[6]N[6]H)(OSi)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(CHHO)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]N[6]H)(OSi)(H)2	H(C[6]C[6]N[6]C)	106.9430	0.000	1	106.9430	0.000	1	107.2618	0.768	6	107.6533	2.819	26	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:2:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CHHO)(H)	C(C[6]C[6]N[6]H)(OH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CHHO)(H){1|O<1>,2|C<4>}	C(C[6]C[6]N[6]H)(OH)(H)2	H(C[6]C[6]N[6]C)	107.4660	0.000	1	107.4660	0.000	1	107.2618	0.768	6	107.6533	2.819	26	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:2:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CHHO)(H)	C(C[6]C[6]N[6]H)(OC)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CHHO)(H){1|O<1>,2|C<4>}	C(C[6]C[6]N[6]H)(OC)(H)2	H(C[6]C[6]N[6]C)	108.4710	0.000	1	108.4710	0.000	1	107.2618	0.768	6	107.6533	2.819	26	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:2:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CHHO)(H)	C(C[6]C[6]N[6]H)(OH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CHHO)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(OH)(H)2	H(C[6]C[6]N[6]C)	106.8690	0.000	1	106.8690	0.000	1	107.2618	0.768	6	107.6533	2.819	26	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:2:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(CHHO)(H)	C(C[6]C[6]N[6]H)(OH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]H)(CHHO)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(OH)(H)2	H(C[6]C[6]N[6]C)	106.9110	1.355	2	106.9110	1.836	2	107.2618	0.768	6	107.6533	2.819	26	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:2:1:1:	4:	N[6,6]-3:C[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(CHHO)(H)	C(C[6]N[6,6]C[6]H)(OH)(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]H)(CHHO)(H){1|H<1>,1|O<1>,4|C<4>}	C(C[6]N[6,6]C[6]H)(OH)(H)2	H(C[6]N[6,6]C[6]C)	108.2860	0.000	1	108.2860	0.000	1	108.2860	0.000	1	107.6533	2.819	26	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:2:1:1:	4:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:S-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]Mo)(C[6]N[6]O)(CHHS)(H)	C(C[6]C[6]N[6]H)(SMo)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6]Mo)(C[6]N[6]O)(CHHS)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(SMo)(H)2	H(C[6]C[6]N[6]C)	107.4510	0.000	1	107.4510	0.000	1	107.4510	0.000	1	107.6533	2.819	26	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:2:1:1:	4:	N[6]-3:N[6]-3:C-4:H-1:	C[6]-4:S-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(N[6]S[6]C)(CHHS)(H)	C(C[6]N[6]2H)(SC)(H)2	H(C[6]N[6]2C)	C[6](N[6]C[6,6a]H)(N[6]S[6]C)(CHHS)(H){2|C<3>,2|O<1>}	C(C[6]N[6]2H)(SC)(H)2	H(C[6]N[6]2C)	107.8000	0.000	1	107.8000	0.000	1	107.8000	0.000	1	107.6533	2.819	26	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:2:1:1:	4:	S[6]-3:S[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](S[6]C[6]O)2(CHHO)(H)	C(C[6]S[6]2H)(OC)(H)2	H(C[6]S[6]2C)	C[6](S[6]C[6]O)2(CHHO)(H){1|C<4>,4|H<1>}	C(C[6]S[6]2H)(OC)(H)2	H(C[6]S[6]2C)	112.8180	0.000	1	112.8180	0.000	1	112.8180	0.000	1	107.6533	2.819	26	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:2:2:1:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C-2:C-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H)	C(C[6]C[6,6a]C[6]H)(CN)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]C)(CCCH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(CN)2(H)	H(C[6]C[6,6a]C[6]C)	103.3030	0.000	1	103.3030	0.000	1	103.3030	0.000	1	105.6040	10.589	2	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:2:2:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:O-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]C)2(CHOO)(H)	C(C[6]C[6]2H)(OC)2(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]C)2(CHOO)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2H)(OC)2(H)	H(C[6]C[6]2C)	107.9050	0.000	1	107.9050	0.000	1	107.9050	0.000	1	105.6040	10.589	2	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[5,6]-3:C[6,6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(CC[6a]HH)(H)	C(C[6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[5,6]C[6,6]C)	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(CC[6a]HH)(H){1|N<3>,2|C<3>,2|C<4>,2|O<1>}	C(C[6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[5,6]C[6,6]C)	107.4030	0.000	1	107.4030	0.000	1	107.4030	0.000	1	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[5,6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(N[6]C[6,6a]C)(CCHH)(H)	C(C[6]C[5,6]N[6]H)(COO)(H)2	H(C[6]C[5,6]N[6]C)	C[6](C[5,6]C[5,6]C[5])(N[6]C[6,6a]C)(CCHH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[5,6]N[6]H)(COO)(H)2	H(C[6]C[5,6]N[6]C)	108.6620	0.000	1	108.6620	0.000	1	108.6620	0.000	1	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[5a,6]-3:C[6]-3:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(CHHN)(H)	C(C[6]C[5a,6]C[6]H)(NOO)(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]H)(CHHN)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>}	C(C[6]C[5a,6]C[6]H)(NOO)(H)2	H(C[6]C[5a,6]C[6]C)	104.7110	0.000	1	104.7110	0.000	1	104.7110	0.000	1	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCHH)(H)	C(C[6]C[5a,6]N[6]H)(CCO)(H)2	H(C[6]C[5a,6]N[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[5a,6]N[6]H)(CCO)(H)2	H(C[6]C[5a,6]N[6]C)	107.8700	0.000	1	107.8700	0.000	1	108.8152	1.365	4	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]O)(CCHH)(H)	C(C[6]C[5a,6]N[6]H)(COO)(H)2	H(C[6]C[5a,6]N[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]O)(CCHH)(H){1|O<1>,2|C<3>,2|C<4>}	C(C[6]C[5a,6]N[6]H)(COO)(H)2	H(C[6]C[5a,6]N[6]C)	107.8470	0.000	1	107.8470	0.000	1	108.8152	1.365	4	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(CCHH)(H)	C(C[6]C[5a,6]N[6]H)(COO)(H)2	H(C[6]C[5a,6]N[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[5a,6]N[6]H)(COO)(H)2	H(C[6]C[5a,6]N[6]C)	109.3060	0.000	1	109.7720	0.434	2	108.8152	1.365	4	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(CCHH)(H)	C(C[6]C[5a,6]N[6]H)(COO)(H)2	H(C[6]C[5a,6]N[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(CCHH)(H){2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5a,6]N[6]H)(COO)(H)2	H(C[6]C[5a,6]N[6]C)	110.2380	0.000	1	109.7720	0.434	2	108.8152	1.365	4	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6,6]-3:C[6,6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])2(CCHH)(H)	C(C[6]C[6,6]2H)(CC[6a]O)(H)2	H(C[6]C[6,6]2C)	C[6](C[6,6]C[6,6]C[6])2(CCHH)(H){1|O<2>,2|O<1>,4|C<4>}	C(C[6]C[6,6]2H)(CC[6a]O)(H)2	H(C[6]C[6,6]2C)	107.3250	0.000	1	107.3250	0.000	1	107.3250	0.000	1	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6,6]-3:C[6]-3:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CHHN)(H)	C(C[6]C[6,6]C[6]H)(NOO)(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]H)(CHHN)(H){1|O<1>,1|O<2>,3|C<3>}	C(C[6]C[6,6]C[6]H)(NOO)(H)2	H(C[6]C[6,6]C[6]C)	107.6780	0.000	1	107.6780	0.000	1	107.6780	0.000	1	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6,6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6,6a]S)(CCHH)(H)	C(C[6]C[6,6]N[6]H)(COO)(H)2	H(C[6]C[6,6]N[6]C)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6,6a]S)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6,6]N[6]H)(COO)(H)2	H(C[6]C[6,6]N[6]C)	107.9940	0.000	1	107.9940	0.000	1	107.9940	0.000	1	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6,6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6,6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6,6]N[6]C)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6,6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6,6]N[6]C)	103.7610	0.000	1	103.7610	0.000	1	103.7610	0.000	1	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[5,6]-3:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(CHHN)(H)	C(C[6]C[6,6a]C[5,6]H)(NOO)(H)2	H(C[6]C[6,6a]C[5,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(CHHN)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C(C[6]C[6,6a]C[5,6]H)(NOO)(H)2	H(C[6]C[6,6a]C[5,6]C)	107.0270	0.000	1	107.0270	0.000	1	107.0270	0.000	1	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6,6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CCHH)(H)	C(C[6]C[6,6a]C[6,6]H)(CCO)(H)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[6,6]C[6])(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C(C[6]C[6,6a]C[6,6]H)(CCO)(H)2	H(C[6]C[6,6a]C[6,6]C)	108.2220	0.000	1	108.2220	0.000	1	108.2220	0.000	1	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6,6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CC[6a]HH)(H)	C(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(H)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[6,6]C[6])(CC[6a]HH)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6,6a]C[6,6]C)	108.5404	0.204	5	108.5404	0.041	5	108.5779	0.077	10	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6,6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(CC[6a]HH)(H)	C(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(H)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[6,6]N[6])(CC[6a]HH)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6,6a]C[6,6]C)	108.2270	0.000	1	108.6154	0.129	5	108.5779	0.077	10	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6,6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(CC[6a]HH)(H)	C(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(H)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[6,6]N[6])(CC[6a]HH)(H){1|H<1>,2|C<4>,4|C<3>}	C(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6,6a]C[6,6]C)	108.7125	0.330	4	108.6154	0.129	5	108.5779	0.077	10	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H)	C(C[6]C[6,6a]2H)(CCO)(H)2	H(C[6]C[6,6a]2C)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H){1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2H)(CCO)(H)2	H(C[6]C[6,6a]2C)	109.4560	0.000	1	109.4560	0.000	1	105.6074	12.500	5	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H)	C(C[6]C[6,6a]2H)(COO)(H)2	H(C[6]C[6,6a]2C)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C(C[6]C[6,6a]2H)(COO)(H)2	H(C[6]C[6,6a]2C)	107.3180	0.091	2	104.6453	10.495	4	105.6074	12.500	5	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H)	C(C[6]C[6,6a]2H)(COO)(H)2	H(C[6]C[6,6a]2C)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H){1|I<2>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2H)(COO)(H)2	H(C[6]C[6,6a]2C)	101.9725	1.703	2	104.6453	10.495	4	105.6074	12.500	5	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6,6a]-3: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])2(CC[6]HH)(H)	C(C[6]C[6,6a]2H)(C[6]C[6]2)(H)2	H(C[6]C[6,6a]2C)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6]HH)(H){1|H<1>,1|O<2>,5|C<3>}	C(C[6]C[6,6a]2H)(C[6]C[6]2)(H)2	H(C[6]C[6,6a]2C)	108.4880	0.000	1	108.4880	0.000	1	108.4880	0.000	1	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CC[6a]HH)(H)	C(C[6]C[6,6a]2H)(C[6a]C[6a]2)(H)2	H(C[6]C[6,6a]2C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CC[6a]HH)(H){1|C<4>,1|H<1>,4|C<3>}	C(C[6]C[6,6a]2H)(C[6a]C[6a]2)(H)2	H(C[6]C[6,6a]2C)	108.1385	0.409	4	108.1385	0.168	4	108.1239	0.289	10	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H)	C(C[6]C[6,6a]2H)(C[6a]C[6a]2)(H)2	H(C[6]C[6,6a]2C)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C(C[6]C[6,6a]2H)(C[6a]C[6a]2)(H)2	H(C[6]C[6,6a]2C)	107.7370	0.000	1	108.1142	0.419	6	108.1239	0.289	10	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H)	C(C[6]C[6,6a]2H)(C[6a]C[6a]2)(H)2	H(C[6]C[6,6a]2C)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]2H)(C[6a]C[6a]2)(H)2	H(C[6]C[6,6a]2C)	108.3977	0.165	3	108.1142	0.419	6	108.1239	0.289	10	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H)	C(C[6]C[6,6a]2H)(C[6a]C[6a]2)(H)2	H(C[6]C[6,6a]2C)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2H)(C[6a]C[6a]2)(H)2	H(C[6]C[6,6a]2C)	108.7570	0.000	1	108.1142	0.419	6	108.1239	0.289	10	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H)	C(C[6]C[6,6a]2H)(C[6a]C[6a]2)(H)2	H(C[6]C[6,6a]2C)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H){1|H<1>,1|O<2>,5|C<3>}	C(C[6]C[6,6a]2H)(C[6a]C[6a]2)(H)2	H(C[6]C[6,6a]2C)	106.9980	0.000	1	108.1142	0.419	6	108.1239	0.289	10	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C-3:Cl-1:Cl-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(CCl2C)(H)	C(C[6]C[6,6a]C[6]H)(COS)(Cl)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]H)(CCl2C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(COS)(Cl)2	H(C[6]C[6,6a]C[6]C)	107.5080	0.000	1	107.5080	0.000	1	107.5080	0.000	1	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CC[6a]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]C)(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	H(C[6]C[6,6a]C[6]C)	107.8900	0.000	1	107.9633	0.703	3	107.6411	0.855	7	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CC[6a]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]C)(CCHH)(H){1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	H(C[6]C[6,6a]C[6]C)	108.0000	1.182	2	107.9633	0.703	3	107.6411	0.855	7	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CHO)(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]C)(CCHH)(H){1|H<1>,1|N<3>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(CHO)(H)2	H(C[6]C[6,6a]C[6]C)	108.6450	0.000	1	108.6450	0.000	1	107.6411	0.855	7	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CC[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]H)(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(CC[6]O)(H)2	H(C[6]C[6,6a]C[6]C)	107.8120	0.000	1	107.8120	0.000	1	107.6411	0.855	7	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CC[6a]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]H)(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	H(C[6]C[6,6a]C[6]C)	106.7750	0.000	1	106.7750	0.000	1	107.6411	0.855	7	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CCH)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(CCH)(H)2	H(C[6]C[6,6a]C[6]C)	106.3660	0.000	1	106.3660	0.000	1	107.6411	0.855	7	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CHHN)(H)	C(C[6]C[6,6a]C[6]H)(NOO)(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]C)(CHHN)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(NOO)(H)2	H(C[6]C[6,6a]C[6]C)	106.7163	0.585	3	106.7163	0.342	3	106.7352	0.210	5	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(CHHN)(H)	C(C[6]C[6,6a]C[6]H)(NOO)(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]N)(CHHN)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(NOO)(H)2	H(C[6]C[6,6a]C[6]C)	106.7635	0.390	2	106.7635	0.152	2	106.7352	0.210	5	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:N[5,6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(CCHH)(H)	C(C[6]C[6,6a]N[5,6]H)(COO)(H)2	H(C[6]C[6,6a]N[5,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(CCHH)(H){1|N<2>,1|S<2>,3|C<3>,3|H<1>}	C(C[6]C[6,6a]N[5,6]H)(COO)(H)2	H(C[6]C[6,6a]N[5,6]C)	108.4220	0.000	1	108.4220	0.000	1	108.2180	0.083	2	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:N[5,6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]N[5,6]C[5])(CCHH)(H)	C(C[6]C[6,6a]N[5,6]H)(CCO)(H)2	H(C[6]C[6,6a]N[5,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]N[5,6]C[5])(CCHH)(H){1|H<1>,3|C<4>,4|C<3>}	C(C[6]C[6,6a]N[5,6]H)(CCO)(H)2	H(C[6]C[6,6a]N[5,6]C)	108.0140	0.000	1	108.0140	0.000	1	108.2180	0.083	2	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:F-1:F-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCFF)(H)	C(C[6]C[6,6a]N[6]H)(CNO)(F)2	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCFF)(H){1|C<4>,3|H<1>,4|C<3>}	C(C[6]C[6,6a]N[6]H)(CNO)(F)2	H(C[6]C[6,6a]N[6]C)	107.9580	0.000	1	107.9580	0.000	1	107.9580	0.000	1	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6]C)(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(CCO)(H)2	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6]C)(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C(C[6]C[6,6a]N[6]H)(CCO)(H)2	H(C[6]C[6,6a]N[6]C)	106.5410	0.000	1	106.5410	0.000	1	108.1479	1.336	26	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(COO)(H)2	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(CCHH)(H){1|H<1>,2|C<4>,3|C<3>}	C(C[6]C[6,6a]N[6]H)(COO)(H)2	H(C[6]C[6,6a]N[6]C)	106.3850	0.000	1	106.3850	0.000	1	108.1479	1.336	26	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(CNO)(H)2	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]N[6]H)(CNO)(H)2	H(C[6]C[6,6a]N[6]C)	107.7560	0.000	1	107.7560	0.000	1	108.1479	1.336	26	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(CCO)(H)2	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CCHH)(H){1|H<1>,4|C<3>}	C(C[6]C[6,6a]N[6]H)(CCO)(H)2	H(C[6]C[6,6a]N[6]C)	107.7040	0.000	1	107.7040	0.000	1	108.1479	1.336	26	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[6a])(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(CNO)(H)2	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[6a])(CCHH)(H){1|H<1>,6|C<3>}	C(C[6]C[6,6a]N[6]H)(CNO)(H)2	H(C[6]C[6,6a]N[6]C)	108.0900	0.000	1	108.0900	0.000	1	108.1479	1.336	26	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]N)(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(CCH)(H)2	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]N)(CCHH)(H){1|H<1>,4|C<3>}	C(C[6]C[6,6a]N[6]H)(CCH)(H)2	H(C[6]C[6,6a]N[6]C)	107.7580	0.000	1	107.7580	0.000	1	108.1479	1.336	26	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(CCC)(H)2	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]H)(CCC)(H)2	H(C[6]C[6,6a]N[6]C)	107.7060	0.000	1	107.7060	0.000	1	108.1479	1.336	26	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(CCO)(H)2	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H){1|H<1>,4|C<3>}	C(C[6]C[6,6a]N[6]H)(CCO)(H)2	H(C[6]C[6,6a]N[6]C)	112.1340	0.000	1	112.1340	0.000	1	108.1479	1.336	26	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(CCH)(H)2	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(CCHH)(H){2|H<1>,3|C<3>}	C(C[6]C[6,6a]N[6]H)(CCH)(H)2	H(C[6]C[6,6a]N[6]C)	108.9090	0.000	1	108.9090	0.000	1	108.1479	1.336	26	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(COO)(H)2	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCHH)(H){1|H<1>,4|C<3>}	C(C[6]C[6,6a]N[6]H)(COO)(H)2	H(C[6]C[6,6a]N[6]C)	107.9950	0.000	1	107.9950	0.000	1	108.1479	1.336	26	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(CCO)(H)2	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H){1|H<1>,1|N<2>,5|C<3>}	C(C[6]C[6,6a]N[6]H)(CCO)(H)2	H(C[6]C[6,6a]N[6]C)	108.8090	0.000	1	108.9245	0.027	2	108.1479	1.336	26	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(CCO)(H)2	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H){1|H<1>,6|C<3>}	C(C[6]C[6,6a]N[6]H)(CCO)(H)2	H(C[6]C[6,6a]N[6]C)	109.0400	0.000	1	108.9245	0.027	2	108.1479	1.336	26	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(CC[6a]O)(H)2	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H){1|H<1>,1|N<2>,5|C<3>}	C(C[6]C[6,6a]N[6]H)(CC[6a]O)(H)2	H(C[6]C[6,6a]N[6]C)	108.9675	0.493	2	108.4025	0.981	4	108.1479	1.336	26	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(CC[6a]O)(H)2	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H){1|H<1>,1|N<3>,1|S<1>,4|C<3>}	C(C[6]C[6,6a]N[6]H)(CC[6a]O)(H)2	H(C[6]C[6,6a]N[6]C)	108.6810	0.000	1	108.4025	0.981	4	108.1479	1.336	26	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(CC[6a]O)(H)2	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C(C[6]C[6,6a]N[6]H)(CC[6a]O)(H)2	H(C[6]C[6,6a]N[6]C)	106.9940	0.000	1	108.4025	0.981	4	108.1479	1.336	26	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(COO)(H)2	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C(C[6]C[6,6a]N[6]H)(COO)(H)2	H(C[6]C[6,6a]N[6]C)	107.8810	0.424	2	107.7552	0.084	4	108.1479	1.336	26	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(COO)(H)2	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H){1|H<1>,1|N<3>,1|S<1>,4|C<3>}	C(C[6]C[6,6a]N[6]H)(COO)(H)2	H(C[6]C[6,6a]N[6]C)	107.6295	0.093	2	107.7552	0.084	4	108.1479	1.336	26	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]Si[6])(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(CCH)(H)2	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]Si[6])(CCHH)(H){1|H<1>,2|O<2>,5|C<3>}	C(C[6]C[6,6a]N[6]H)(CCH)(H)2	H(C[6]C[6,6a]N[6]C)	107.9590	0.000	1	107.9590	0.000	1	108.1479	1.336	26	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]C)(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(COO)(H)2	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]C)(CCHH)(H){1|H<1>,4|C<3>}	C(C[6]C[6,6a]N[6]H)(COO)(H)2	H(C[6]C[6,6a]N[6]C)	108.9250	0.000	1	108.9250	0.000	1	108.1479	1.336	26	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]S)(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(COO)(H)2	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]S)(CCHH)(H){1|H<1>,3|C<3>}	C(C[6]C[6,6a]N[6]H)(COO)(H)2	H(C[6]C[6,6a]N[6]C)	109.6580	0.000	1	109.6580	0.000	1	108.1479	1.336	26	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(CCO)(H)2	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CCHH)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C(C[6]C[6,6a]N[6]H)(CCO)(H)2	H(C[6]C[6,6a]N[6]C)	107.2470	0.167	2	107.2470	0.028	2	108.1479	1.336	26	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(CC[6a]O)(H)2	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CCHH)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C(C[6]C[6,6a]N[6]H)(CC[6a]O)(H)2	H(C[6]C[6,6a]N[6]C)	107.3510	0.000	1	107.3510	0.000	1	108.1479	1.336	26	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[5a]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC[5a]HH)(H)	C(C[6]C[6,6a]N[6]H)(C[5a]C[5a]N[5a])(H)2	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC[5a]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C(C[6]C[6,6a]N[6]H)(C[5a]C[5a]N[5a])(H)2	H(C[6]C[6,6a]N[6]C)	107.6550	0.000	1	107.6550	0.000	1	107.6550	0.000	1	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:N[6]-3: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])(N[6]C[6,6a]C)(CC[6]HH)(H)	C(C[6]C[6,6a]N[6]H)(C[6]C[6]2)(H)2	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CC[6]HH)(H){1|O<2>,4|C<3>}	C(C[6]C[6,6a]N[6]H)(C[6]C[6]2)(H)2	H(C[6]C[6,6a]N[6]C)	108.0190	0.000	1	108.0190	0.000	1	108.0190	0.000	1	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6,6a]N[6]C)	107.5990	0.154	2	107.4939	0.096	9	107.6391	0.183	11	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6,6a]N[6]C)	107.4639	0.345	7	107.4939	0.096	9	107.6391	0.183	11	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CC[6a]HH)(H)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CC[6a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6,6a]N[6]C)	108.1880	0.000	1	108.1880	0.000	1	107.6391	0.183	11	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]C)(CC[6a]HH)(H)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]C)(CC[6a]HH)(H){1|H<1>,3|C<3>}	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6,6a]N[6]C)	108.3970	0.000	1	108.3970	0.000	1	107.6391	0.183	11	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-3:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(CCFF)(H)	C(C[6]C[6]2H)(CC[6a]O)(F)2	H(C[6]C[6]2C)	C[6](C[6]C[6]C)(C[6]C[6]H)(CCFF)(H){1|C<4>,1|H<1>,1|S<2>}	C(C[6]C[6]2H)(CC[6a]O)(F)2	H(C[6]C[6]2C)	108.1530	0.000	1	108.1530	0.000	1	108.1530	0.000	1	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]C)2(CCHH)(H)	C(C[6]C[6]2H)(CC[5a]O)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]C)2(CCHH)(H){1|C<3>,1|N<3>,2|H<1>}	C(C[6]C[6]2H)(CC[5a]O)(H)2	H(C[6]C[6]2C)	107.2690	0.000	1	107.2690	0.000	1	107.4174	1.132	7	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]C)2(CCHH)(H)	C(C[6]C[6]2H)(COO)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]C)2(CCHH)(H){2|H<1>,2|O<2>}	C(C[6]C[6]2H)(COO)(H)2	H(C[6]C[6]2C)	108.4770	0.000	1	108.4770	0.000	1	107.4174	1.132	7	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]H)(C[6]O[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CCH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]H)(C[6]O[6]O)(CCHH)(H){1|C<3>,1|C<4>}	C(C[6]C[6]2H)(CCH)(H)2	H(C[6]C[6]2C)	107.3670	0.000	1	107.3670	0.000	1	107.4174	1.132	7	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(CCHH)(H)	C(C[6]C[6]2H)(CC[6a]O)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]H)2(CCHH)(H){1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CC[6a]O)(H)2	H(C[6]C[6]2C)	108.9440	0.000	1	108.9440	0.000	1	107.4174	1.132	7	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]O)(C[6]O[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CCH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]O)(C[6]O[6]O)(CCHH)(H){1|H<1>,2|C<4>}	C(C[6]C[6]2H)(CCH)(H)2	H(C[6]C[6]2C)	106.1360	0.020	2	106.1360	0.000	2	107.4174	1.132	7	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]N[6]N)(CCHH)(H)	C(C[6]C[6]2H)(CCH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6])(C[6]N[6]N)(CCHH)(H){1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[6]2H)(CCH)(H)2	H(C[6]C[6]2C)	107.5930	0.000	1	107.5930	0.000	1	107.4174	1.132	7	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCO)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]C)(N[6]C[6]S)(CCHH)(H){1|C<4>,2|C<3>}	C(C[6]C[6]N[6]H)(CCO)(H)2	H(C[6]C[6]N[6]C)	108.8170	0.000	1	108.8170	0.000	1	107.4525	0.638	8	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CC[4]C)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(CC[4]C)(H)2	H(C[6]C[6]N[6]C)	106.4740	0.000	1	106.4740	0.000	1	107.4525	0.638	8	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(CCH)(H)2	H(C[6]C[6]N[6]C)	107.0035	0.265	2	107.0035	0.070	2	107.4525	0.638	8	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H)	C(C[6]C[6]N[6]H)(CNO)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(CNO)(H)2	H(C[6]C[6]N[6]C)	107.1640	0.000	1	107.1640	0.000	1	107.4525	0.638	8	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H)	C(C[6]C[6]N[6]H)(COO)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H){1|O<1>,2|C<4>}	C(C[6]C[6]N[6]H)(COO)(H)2	H(C[6]C[6]N[6]C)	106.9600	0.000	1	106.9600	0.000	1	107.4525	0.638	8	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]O)(N[6]C[6]H)(CCHH)(H)	C(C[6]C[6]N[6]H)(CC[6a]O)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]O[6]O)(N[6]C[6]H)(CCHH)(H){1|C<4>,2|C<3>}	C(C[6]C[6]N[6]H)(CC[6a]O)(H)2	H(C[6]C[6]N[6]C)	108.1720	0.000	1	108.1720	0.000	1	107.4525	0.638	8	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]O)(N[6]C[6]H)(CCHH)(H)	C(C[6]C[6]N[6]H)(CNO)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]O[6]O)(N[6]C[6]H)(CCHH)(H){1|C<4>,1|O<1>}	C(C[6]C[6]N[6]H)(CNO)(H)2	H(C[6]C[6]N[6]C)	108.0260	0.000	1	108.0260	0.000	1	107.4525	0.638	8	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[5]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5]HH)(H)	C(C[6]C[6]N[6]H)(C[5]C[5]N[5])(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5]HH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(C[5]C[5]N[5])(H)2	H(C[6]C[6]N[6]C)	107.3370	0.140	2	107.3370	0.020	2	107.3370	0.020	2	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[5a]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CC[5a]HH)(H)	C(C[6]C[6]N[6]H)(C[5a]C[5a]2)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CC[5a]HH)(H){1|O<1>,2|C<4>}	C(C[6]C[6]N[6]H)(C[5a]C[5a]2)(H)2	H(C[6]C[6]N[6]C)	108.3990	0.000	1	108.3990	0.000	1	108.3990	0.000	1	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6]HH)(H)	C(C[6]C[6]N[6]H)(C[6]C[6]2)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6]HH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(C[6]C[6]2)(H)2	H(C[6]C[6]N[6]C)	108.2710	0.000	1	108.2710	0.000	1	108.2710	0.000	1	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]C)(N[6]C[6]S)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[4,6]C)(N[6]C[6]S)(CC[6a]HH)(H){2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	106.9577	0.469	3	106.9577	0.220	3	107.1011	0.490	82	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]H)(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	107.2690	0.162	4	107.1988	0.044	5	107.1011	0.490	82	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]H)(N[6]C[6]C)(CC[6a]HH)(H){2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	106.9180	0.000	1	107.1988	0.044	5	107.1011	0.490	82	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|C<3>,3|H<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	107.9110	0.000	1	107.9110	0.000	1	107.1011	0.490	82	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(CC[6a]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	107.0790	0.679	4	107.0790	0.461	4	107.1011	0.490	82	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[3,6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[3,6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	106.6230	0.000	1	106.6230	0.000	1	107.1011	0.490	82	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|O<1>,2|C<4>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	106.7975	0.385	10	106.7975	0.149	10	107.1011	0.490	82	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CC[6a]HH)(H){1|O<1>,2|C<4>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	107.0283	0.256	3	106.9938	0.048	4	107.1011	0.490	82	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CC[6a]HH)(H){2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	106.8900	0.000	1	106.9938	0.048	4	107.1011	0.490	82	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|O<1>,2|C<4>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	106.9333	0.450	13	106.9333	0.202	13	107.1011	0.490	82	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]O)(N[6]C[6]H)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6,6]O)(N[6]C[6]H)(CC[6a]HH)(H){1|O<1>,2|C<4>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	107.6109	0.624	12	107.6109	0.389	12	107.1011	0.490	82	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	106.6890	0.000	1	106.9671	0.803	19	107.1011	0.490	82	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	109.7200	0.000	1	106.9671	0.803	19	107.1011	0.490	82	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	106.8450	0.389	3	106.9671	0.803	19	107.1011	0.490	82	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	106.8010	0.000	1	106.9671	0.803	19	107.1011	0.490	82	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|O<1>,2|C<4>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	106.6973	0.724	10	106.9671	0.803	19	107.1011	0.490	82	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H){2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	107.2190	0.625	3	106.9671	0.803	19	107.1011	0.490	82	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]HH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	106.6920	1.027	5	106.6920	1.056	5	107.1011	0.490	82	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]O)(N[6]C[6]H)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]O[6]O)(N[6]C[6]H)(CC[6a]HH)(H){1|C<4>,1|O<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	107.5070	0.000	1	107.8650	0.328	5	107.1011	0.490	82	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]O)(N[6]C[6]H)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]O[6]O)(N[6]C[6]H)(CC[6a]HH)(H){1|C<4>,2|C<3>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	108.4485	0.275	2	107.8650	0.328	5	107.1011	0.490	82	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]O)(N[6]C[6]H)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]O[6]O)(N[6]C[6]H)(CC[6a]HH)(H){1|N<3>,1|O<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	107.4605	0.316	2	107.8650	0.328	5	107.1011	0.490	82	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	N[5,6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6a]C[6])(CCHH)(H)	C(C[6]N[5,6]C[6]H)(CHN)(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[6a]C[6])(CCHH)(H){1|C<4>,1|H<1>,6|C<3>}	C(C[6]N[5,6]C[6]H)(CHN)(H)2	H(C[6]N[5,6]C[6]C)	106.0240	0.334	2	106.0240	0.111	2	106.0240	0.111	2	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	N[5,6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,5]C[5,6])(C[6]N[6]O)(CC[6a]HH)(H)	C(C[6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)2	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,5]C[5,6])(C[6]N[6]O)(CC[6a]HH)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C(C[6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)2	H(C[6]N[5,6]C[6]C)	107.2870	0.000	1	107.2870	0.000	1	106.7813	0.340	3	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	N[5,6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]O)(CC[6a]HH)(H)	C(C[6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)2	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]O)(CC[6a]HH)(H){1|O<1>,2|O<2>,3|C<4>}	C(C[6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)2	H(C[6]N[5,6]C[6]C)	106.5285	0.544	2	106.5285	0.296	2	106.7813	0.340	3	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	N[5a,6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(CC[6a]HH)(H)	C(C[6]N[5a,6]C[6]H)(C[6a]C[6a]2)(H)2	H(C[6]N[5a,6]C[6]C)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(CC[6a]HH)(H){1|C<4>,1|N<3>,2|N<2>}	C(C[6]N[5a,6]C[6]H)(C[6a]C[6a]2)(H)2	H(C[6]N[5a,6]C[6]C)	108.0890	0.000	1	108.0890	0.000	1	108.0890	0.000	1	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	N[6,6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[5,6,6]C[6,6])(C[6]N[6]O)(CC[6a]HH)(H)	C(C[6]N[6,6]C[6]H)(C[6a]C[6a]2)(H)2	H(C[6]N[6,6]C[6]C)	C[6](N[6,6]C[5,6,6]C[6,6])(C[6]N[6]O)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|O<2>}	C(C[6]N[6,6]C[6]H)(C[6a]C[6a]2)(H)2	H(C[6]N[6,6]C[6]C)	108.6380	0.000	1	108.6380	0.000	1	108.6380	0.000	1	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	N[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(H)	C(C[6]N[6,6a]C[6]H)(C[6a]C[6a]2)(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]O)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>}	C(C[6]N[6,6a]C[6]H)(C[6a]C[6a]2)(H)2	H(C[6]N[6,6a]C[6]C)	107.3640	0.453	3	107.4112	0.146	4	107.4112	0.146	4	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	N[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(H)	C(C[6]N[6,6a]C[6]H)(C[6a]C[6a]2)(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]O)(CC[6a]HH)(H){1|C<4>,1|N<2>,1|O<1>,2|C<3>}	C(C[6]N[6,6a]C[6]H)(C[6a]C[6a]2)(H)2	H(C[6]N[6,6a]C[6]C)	107.5530	0.000	1	107.4112	0.146	4	107.4112	0.146	4	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	N[6]-3:B[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(B[6]N[6]N)(CC[6a]HH)(H)	C(C[6]B[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]B[6]N[6]C)	C[6](N[6]C[6a]C[6])(B[6]N[6]N)(CC[6a]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]B[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]B[6]N[6]C)	108.0790	0.413	2	108.0790	0.171	2	107.8855	0.484	4	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	N[6]-3:B[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(B[6]N[6]O)(CC[6a]HH)(H)	C(C[6]B[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]B[6]N[6]C)	C[6](N[6]C[6a]C[6])(B[6]N[6]O)(CC[6a]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]B[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]B[6]N[6]C)	108.4440	0.000	1	108.4440	0.000	1	107.8855	0.484	4	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	N[6]-3:B[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(B[6]N[6]S)(CC[6a]HH)(H)	C(C[6]B[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]B[6]N[6]C)	C[6](N[6]C[6a]C[6])(B[6]N[6]S)(CC[6a]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]B[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]B[6]N[6]C)	106.9400	0.000	1	106.9400	0.000	1	107.8855	0.484	4	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[5]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(CC[5]HH)(H)	C(C[6]C[6]N[6]H)(C[5]N[5]O[5])(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(CC[5]HH)(H){1|H<1>,2|C<3>}	C(C[6]C[6]N[6]H)(C[5]N[5]O[5])(H)2	H(C[6]C[6]N[6]C)	108.9205	0.095	2	108.9205	0.009	2	108.9205	0.009	2	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(CC[6]HH)(H)	C(C[6]C[6]N[6]H)(C[6]C[6]N[6])(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(CC[6]HH)(H){1|H<1>,2|C<3>}	C(C[6]C[6]N[6]H)(C[6]C[6]N[6])(H)2	H(C[6]C[6]N[6]C)	107.7820	0.000	1	107.7820	0.000	1	107.7820	0.000	1	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]N[6]O)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]C)(C[6]N[6]O)(CC[6a]HH)(H){3|C<3>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	108.4725	0.496	4	108.4725	0.246	4	108.4287	0.329	9	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[3,6]O)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6a]C[6])(C[6]N[3,6]O)(CC[6a]HH)(H){1|H<1>,2|C<4>,3|C<3>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	107.3480	0.000	1	107.3480	0.000	1	108.4287	0.329	9	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]N[6])(C[6]O[6]C)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6a]N[6])(C[6]O[6]C)(CC[6a]HH)(H){3|C<3>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	108.8563	0.120	3	108.8563	0.014	3	108.4287	0.329	9	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]N[6])(C[6]O[6]O)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6a]N[6])(C[6]O[6]O)(CC[6a]HH)(H){3|C<3>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	108.0510	0.000	1	108.0510	0.000	1	108.4287	0.329	9	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:1:1:	4:	S[6]-3:C[6]-3:C-4:H-1:	C[6]-4:S-3:H-1:H-1:	C[6]-4:	C[6](S[6]C[6]Cu)(C[6]O[6]H)(CHHS)(H)	C(C[6]C[6]S[6]H)(SCuC)(H)2	H(C[6]C[6]S[6]C)	C[6](S[6]C[6]Cu)(C[6]O[6]H)(CHHS)(H){1|H<1>,2|C<4>}	C(C[6]C[6]S[6]H)(SCuC)(H)2	H(C[6]C[6]S[6]C)	107.7040	0.000	1	107.7040	0.000	1	107.7040	0.000	1	107.5224	1.216	224	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:2:1:	4:	C[5a,6]-3:C[6,6a]-3:C-4:H-1:	C[6]-4:C[6a]-3:N-2:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(CC[6a]HN)(H)	C(C[6]C[5a,6]C[6,6a]H)(C[6a]C[6a]2)(NN)(H)	H(C[6]C[5a,6]C[6,6a]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(CC[6a]HN)(H){1|H<1>,2|N<3>,4|C<3>}	C(C[6]C[5a,6]C[6,6a]H)(C[6a]C[6a]2)(NN)(H)	H(C[6]C[5a,6]C[6,6a]C)	108.1690	0.000	1	108.1690	0.000	1	108.1690	0.000	1	108.0477	0.097	3	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:2:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:S-2:H-1:	C[6]-4:	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CC[6a]HS)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(SS)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CC[6a]HS)(H){1|C<4>,1|O<1>,1|O<2>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(SS)(H)	H(C[6]C[6]N[6]C)	107.6940	0.000	1	107.6940	0.000	1	107.6940	0.000	1	108.0477	0.097	3	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:2:1:	4:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-3:S-2:H-1:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]N[6]O)(CCHS)(H)	C(C[6]C[6]N[6]H)(CCS)(SC)(H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]C)(C[6]N[6]O)(CCHS)(H){1|H<1>,2|C<3>}	C(C[6]C[6]N[6]H)(CCS)(SC)(H)	H(C[6]C[6]N[6]C)	108.2800	0.000	1	108.2800	0.000	1	108.2800	0.000	1	108.0477	0.097	3	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:3:1:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C-3:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H)	C(C[6]C[6,6a]C[6]H)(CCO)(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]C)(CCCH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(CCO)(COO)(H)	H(C[6]C[6,6a]C[6]C)	107.3773	0.160	4	107.3773	0.026	4	107.5493	0.131	6	107.7947	0.823	16	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:3:1:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C-3:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H)	C(C[6]C[6,6a]C[6]H)(COO)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]C)(CCCH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(COO)2(H)	H(C[6]C[6,6a]C[6]C)	107.5590	0.000	1	107.5590	0.000	1	107.5493	0.131	6	107.7947	0.823	16	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:3:1:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C-3:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH)(H)	C(C[6]C[6,6a]C[6]H)(COO)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]H)(CCCH)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(COO)2(H)	H(C[6]C[6,6a]C[6]C)	108.2280	0.000	1	108.2280	0.000	1	107.5493	0.131	6	107.7947	0.823	16	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:3:1:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]CH)(H)	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(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]H)(CC[6a]CH)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(COO)(H)	H(C[6]C[6,6a]C[6]C)	105.6130	0.000	1	105.6130	0.000	1	105.6130	0.000	1	107.7947	0.823	16	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:3:1:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCCH)(H)	C(C[6]C[6,6a]N[6]H)(COO)2(H)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCCH)(H){3|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]H)(COO)2(H)	H(C[6]C[6,6a]N[6]C)	108.5580	0.000	1	108.5580	0.000	1	108.5580	0.000	1	107.7947	0.823	16	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:3:1:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6a]C)(CC[6a]CH)(H)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CC[6a]O)(H)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6a]C)(CC[6a]CH)(H){1|O<2>,4|C<3>}	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CC[6a]O)(H)	H(C[6]C[6,6a]N[6]C)	109.2450	0.390	2	109.2450	0.152	2	108.4617	0.973	4	107.7947	0.823	16	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:3:1:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]CH)(H)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CCH)(H)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]CH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CCH)(H)	H(C[6]C[6,6a]N[6]C)	107.2830	0.000	1	107.2830	0.000	1	108.4617	0.973	4	107.7947	0.823	16	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:3:1:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC[6a]CH)(H)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CNO)(H)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC[6a]CH)(H){1|C<4>,3|H<1>,4|C<3>}	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CNO)(H)	H(C[6]C[6,6a]N[6]C)	108.0740	0.000	1	108.0740	0.000	1	108.4617	0.973	4	107.7947	0.823	16	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:3:1:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:N-3:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(CCHN)(H)	C(C[6]C[6,6a]N[6]H)(NC[6a]H)(COO)(H)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(CCHN)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]H)(NC[6a]H)(COO)(H)	H(C[6]C[6,6a]N[6]C)	108.2230	0.000	1	108.2230	0.000	1	108.2230	0.000	1	107.7947	0.823	16	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:H-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]2H)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(H)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]2H)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(H)	H(C[6]C[6]N[6]C)	107.3615	0.545	2	107.3615	0.297	2	107.3615	0.297	2	107.7947	0.823	16	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:3:1:	4:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:S-3:C-3:H-1:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]N[6]O)(CCHS)(H)	C(C[6]C[6]N[6]H)(SCo2)(CCS)(H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]C)(C[6]N[6]O)(CCHS)(H){1|C<4>,2|C<3>}	C(C[6]C[6]N[6]H)(SCo2)(CCS)(H)	H(C[6]C[6]N[6]C)	108.4560	0.000	1	108.4560	0.000	1	108.4560	0.000	1	107.7947	0.823	16	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6]-4:N-3:N-3:N-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(CN3)(H)	C(C[6]C[6,6a]2H)(NOO)3	H(C[6]C[6,6a]2C)	C[6](C[6,6a]C[6,6a]C[6a])2(CN3)(H){1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2H)(NOO)3	H(C[6]C[6,6a]2C)	105.7710	0.000	1	105.7710	0.000	1	105.7710	0.000	1	107.1863	1.506	3	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:3:3:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:N-3:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CC[6a]CN)(H)	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(NC[6a]H)(COO)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CC[6a]CN)(H){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(NC[6a]H)(COO)	H(C[6]C[6,6a]C[6]C)	107.8940	0.079	2	107.8940	0.006	2	107.8940	0.006	2	107.1863	1.506	3	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:4:1:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(CC[6a]CH)(H)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(CC[6a]CH)(H){1|H<1>,4|C<3>}	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	H(C[6]C[6,6a]N[6]C)	108.9760	0.000	1	108.9760	0.000	1	108.2843	0.396	3	107.6406	0.544	8	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:4:1:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC[6a]CH)(H)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC[6a]CH)(H){1|C<4>,3|H<1>,4|C<3>}	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	H(C[6]C[6,6a]N[6]C)	107.9385	0.272	2	107.9385	0.074	2	108.2843	0.396	3	107.6406	0.544	8	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:4:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:B[5]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CB[5]CH)(H)	C(C[6]C[6]N[6]H)(B[5]O[5]2)(CC[5a]HH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]H)(N[6]C[6]C)(CB[5]CH)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6]H)(B[5]O[5]2)(CC[5a]HH)(H)	H(C[6]C[6]N[6]C)	107.5780	0.000	1	107.5780	0.000	1	107.6235	0.004	2	107.6406	0.544	8	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:4:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:B[5]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CB[5]CH)(H)	C(C[6]C[6]N[6]H)(B[5]O[5]2)(CC[6a]HH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]H)(N[6]C[6]C)(CB[5]CH)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6]H)(B[5]O[5]2)(CC[6a]HH)(H)	H(C[6]C[6]N[6]C)	107.6690	0.000	1	107.6690	0.000	1	107.6235	0.004	2	107.6406	0.544	8	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:3:4:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]CH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]CH)(H){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	H(C[6]C[6]N[6]C)	107.0083	0.535	3	107.0083	0.286	3	107.0083	0.286	3	107.6406	0.544	8	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(CCHH)(H)	C(C[6]C[5a,6]C[6]H)(CCHH)(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]H)(CCHH)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[5a,6]C[6]H)(CCHH)(H)2	H(C[6]C[5a,6]C[6]C)	107.6470	0.000	1	107.6470	0.000	1	107.6470	0.000	1	107.0839	7.793	99	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:1:1:	4:	C[5a,6]-3:N[6,6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(CCHH)(H)	C(C[6]C[5a,6]N[6,6]H)(CCCO)(H)2	H(C[6]C[5a,6]N[6,6]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(CCHH)(H){1|O<1>,1|O<2>,3|C<3>,3|C<4>}	C(C[6]C[5a,6]N[6,6]H)(CCCO)(H)2	H(C[6]C[5a,6]N[6,6]C)	109.4120	0.000	1	109.4120	0.000	1	109.4120	0.000	1	107.0839	7.793	99	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:1:1:	4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCHH)(H)	C(C[6]C[5a,6]N[6]H)(CC3)(H)2	H(C[6]C[5a,6]N[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[5a,6]N[6]H)(CC3)(H)2	H(C[6]C[5a,6]N[6]C)	108.3240	0.000	1	108.3240	0.000	1	108.0647	0.476	6	107.0839	7.793	99	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:1:1:	4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCHH)(H)	C(C[6]C[5a,6]N[6]H)(CCHH)(H)2	H(C[6]C[5a,6]N[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCHH)(H){1|H<1>,2|C<4>,3|C<3>}	C(C[6]C[5a,6]N[6]H)(CCHH)(H)2	H(C[6]C[5a,6]N[6]C)	107.7860	0.000	1	107.5385	0.123	2	108.0647	0.476	6	107.0839	7.793	99	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:1:1:	4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCHH)(H)	C(C[6]C[5a,6]N[6]H)(CCHH)(H)2	H(C[6]C[5a,6]N[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCHH)(H){2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5a,6]N[6]H)(CCHH)(H)2	H(C[6]C[5a,6]N[6]C)	107.2910	0.000	1	107.5385	0.123	2	108.0647	0.476	6	107.0839	7.793	99	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:1:1:	4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(CCHH)(H)	C(C[6]C[5a,6]N[6]H)(CCHH)(H)2	H(C[6]C[5a,6]N[6]C)	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[5a,6]N[6]H)(CCHH)(H)2	H(C[6]C[5a,6]N[6]C)	107.8410	0.004	2	107.8410	0.000	2	108.0647	0.476	6	107.0839	7.793	99	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:1:1:	4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]C)(CCHH)(H)	C(C[6]C[5a,6]N[6]H)(CC[6a]HH)(H)2	H(C[6]C[5a,6]N[6]C)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]C)(CCHH)(H){1|H<1>,4|C<3>}	C(C[6]C[5a,6]N[6]H)(CC[6a]HH)(H)2	H(C[6]C[5a,6]N[6]C)	109.3050	0.000	1	109.3050	0.000	1	108.0647	0.476	6	107.0839	7.793	99	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:1:1:	4:	C[5a,6]-3:N[6]-3: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])(N[6]C[6]H)(CC[6]HH)(H)	C(C[6]C[5a,6]N[6]H)(C[6]C[6]2H)(H)2	H(C[6]C[5a,6]N[6]C)	C[6](C[5a,6]N[5a,6]N[5a])(N[6]C[6]H)(CC[6]HH)(H){1|C<4>,1|O<1>,2|C<3>}	C(C[6]C[5a,6]N[6]H)(C[6]C[6]2H)(H)2	H(C[6]C[5a,6]N[6]C)	108.2020	0.482	2	108.2020	0.233	2	108.2020	0.233	2	107.0839	7.793	99	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6,6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])2(CCHH)(H)	C(C[6]C[6,6]2H)(CCHH)(H)2	H(C[6]C[6,6]2C)	C[6](C[6,6]C[6,6]C[6])2(CCHH)(H){1|N<3>,2|O<1>,4|C<4>}	C(C[6]C[6,6]2H)(CCHH)(H)2	H(C[6]C[6,6]2C)	107.6710	0.055	2	107.6710	0.003	2	107.1217	0.907	3	107.0839	7.793	99	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6,6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])2(CCHH)(H)	C(C[6]C[6,6]2H)(CC[6a]HH)(H)2	H(C[6]C[6,6]2C)	C[6](C[6,6]C[6,6]C[6])2(CCHH)(H){1|N<3>,2|O<1>,4|C<4>}	C(C[6]C[6,6]2H)(CC[6a]HH)(H)2	H(C[6]C[6,6]2C)	106.0230	0.000	1	106.0230	0.000	1	107.1217	0.907	3	107.0839	7.793	99	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H)	C(C[6]C[6,6a]2H)(CCCH)(H)2	H(C[6]C[6,6a]2C)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C(C[6]C[6,6a]2H)(CCCH)(H)2	H(C[6]C[6,6a]2C)	107.3310	0.000	1	107.3310	0.000	1	107.6417	0.320	14	107.0839	7.793	99	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H)	C(C[6]C[6,6a]2H)(CCCN)(H)2	H(C[6]C[6,6a]2C)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H){1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2H)(CCCN)(H)2	H(C[6]C[6,6a]2C)	108.8665	0.019	2	108.8665	0.000	2	107.6417	0.320	14	107.0839	7.793	99	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H)	C(C[6]C[6,6a]2H)(CCHH)(H)2	H(C[6]C[6,6a]2C)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H){1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2H)(CCHH)(H)2	H(C[6]C[6,6a]2C)	107.4860	0.196	3	107.4860	0.039	3	107.6417	0.320	14	107.0839	7.793	99	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H)	C(C[6]C[6,6a]2H)(CH3)(H)2	H(C[6]C[6,6a]2C)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H){1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2H)(CH3)(H)2	H(C[6]C[6,6a]2C)	107.4327	0.285	8	107.4327	0.081	8	107.6417	0.320	14	107.0839	7.793	99	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]N[6]O)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CH3)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]N[6]O)(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(CH3)(H)2	H(C[6]C[6,6a]C[6]C)	107.0527	0.526	3	107.0527	0.276	3	107.6503	0.607	7	107.0839	7.793	99	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	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])(CCHH)(H){1|C<4>,1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	H(C[6]C[6,6a]C[6]C)	108.4510	0.000	2	108.4510	0.000	2	107.6503	0.607	7	107.0839	7.793	99	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(H){1|C<4>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	H(C[6]C[6,6a]C[6]C)	107.1470	0.000	1	107.1470	0.000	1	107.6503	0.607	7	107.0839	7.793	99	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]O)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CCHH)(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]O)(CCHH)(H){1|N<3>,4|C<3>}	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	H(C[6]C[6,6a]C[6]C)	108.3450	0.000	1	108.3450	0.000	1	107.6503	0.607	7	107.0839	7.793	99	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:N[6,6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(CCHH)(H)	C(C[6]C[6,6a]N[6,6]H)(CHHO)(H)2	H(C[6]C[6,6a]N[6,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(CCHH)(H){1|N<3>,3|H<1>,4|C<3>}	C(C[6]C[6,6a]N[6,6]H)(CHHO)(H)2	H(C[6]C[6,6a]N[6,6]C)	105.4135	0.169	4	105.4135	0.029	4	105.4135	0.029	4	107.0839	7.793	99	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(CCHH)(H)2	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]H)(CCHH)(H)2	H(C[6]C[6,6a]N[6]C)	107.4325	0.572	2	107.8603	0.713	3	108.4882	4.263	5	107.0839	7.793	99	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(CCHH)(H)2	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H){2|H<1>,3|C<3>}	C(C[6]C[6,6a]N[6]H)(CCHH)(H)2	H(C[6]C[6,6a]N[6]C)	108.7160	0.000	1	107.8603	0.713	3	108.4882	4.263	5	107.0839	7.793	99	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(CC[6a]HO)(H)2	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]H)(CC[6a]HO)(H)2	H(C[6]C[6,6a]N[6]C)	106.9130	0.000	1	106.9130	0.000	1	108.4882	4.263	5	107.0839	7.793	99	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(CH3)(H)2	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCHH)(H){3|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]H)(CH3)(H)2	H(C[6]C[6,6a]N[6]C)	111.9470	0.000	1	111.9470	0.000	1	108.4882	4.263	5	107.0839	7.793	99	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CCHH)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2H)(CH3)(H)2	H(C[6]C[6]2C)	106.3215	3.347	2	106.3215	11.201	2	103.1183	43.044	10	107.0839	7.793	99	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6])(C[6]C[6]H)(CCHH)(H)	C(C[6]C[6]2H)(CC[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(CCHH)(H){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	C(C[6]C[6]2H)(CC[6]HH)(H)2	H(C[6]C[6]2C)	93.8862	0.000	1	93.8862	0.000	1	103.1183	43.044	10	107.0839	7.793	99	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(CCHH)(H)	C(C[6]C[6]2H)(CC[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(CCHH)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C(C[6]C[6]2H)(CC[6]HH)(H)2	H(C[6]C[6]2C)	93.6971	0.000	1	93.6971	0.000	1	103.1183	43.044	10	107.0839	7.793	99	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]C)2(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]C)2(CCHH)(H){1|C<4>,1|N<3>,1|O<2>}	C(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	107.6320	0.000	1	107.6320	0.000	1	103.1183	43.044	10	107.0839	7.793	99	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]C)2(CCHH)(H)	C(C[6]C[6]2H)(CCHO)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]C)2(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2H)(CCHO)(H)2	H(C[6]C[6]2C)	107.7715	0.299	2	107.7715	0.089	2	103.1183	43.044	10	107.0839	7.793	99	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]C)2(CCHH)(H)	C(C[6]C[6]2H)(CH3)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]C)2(CCHH)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2H)(CH3)(H)2	H(C[6]C[6]2C)	109.1690	0.000	1	109.1690	0.000	1	103.1183	43.044	10	107.0839	7.793	99	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHH)(H){1|C<4>,1|W<7>,2|H<1>}	C(C[6]C[6]2H)(CH3)(H)2	H(C[6]C[6]2C)	104.4170	0.000	1	104.4170	0.000	1	103.1183	43.044	10	107.0839	7.793	99	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(CCHH)(H)	C(C[6]C[6]2H)(CC[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]H)2(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2H)(CC[6]HH)(H)2	H(C[6]C[6]2C)	94.1952	0.000	1	94.1952	0.000	1	103.1183	43.044	10	107.0839	7.793	99	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:Si-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(CSiHH)(H)	C(C[6]C[6]2H)(SiC3)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(CSiHH)(H){1|Al<5>,1|H<1>,1|N<3>,4|C<3>}	C(C[6]C[6]2H)(SiC3)(H)2	H(C[6]C[6]2C)	107.7230	0.000	1	107.7230	0.000	1	107.7230	0.000	1	107.0839	7.793	99	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[4]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CC[4]HH)(H)	C(C[4]C[4,5]C[4]C)(C[6]C[6]N[6]H)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]H)(N[6]C[6]C)(CC[4]HH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[4]C[4,5]C[4]C)(C[6]C[6]N[6]H)(H)2	H(C[6]C[6]N[6]C)	106.8340	0.000	1	106.8340	0.000	1	106.8340	0.000	1	107.0839	7.793	99	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[5]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]H)(CC[5]HH)(H)	C(C[5]C[5]N[5]H)(C[6]C[6]N[6]H)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]C)(N[6]C[6]H)(CC[5]HH)(H){1|C<4>,1|N<3>,1|O<1>}	C(C[5]C[5]N[5]H)(C[6]C[6]N[6]H)(H)2	H(C[6]C[6]N[6]C)	110.6360	0.000	1	110.6360	0.000	1	110.6360	0.000	1	107.0839	7.793	99	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]C)(N[6]C[6]S)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCCH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[4,6]C)(N[6]C[6]S)(CCHH)(H){2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(CCCH)(H)2	H(C[6]C[6]N[6]C)	108.2600	0.490	4	108.2606	0.180	5	107.3520	3.996	29	107.0839	7.793	99	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]C)(N[6]C[6]S)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCCH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[4,6]C)(N[6]C[6]S)(CCHH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(CCCH)(H)2	H(C[6]C[6]N[6]C)	108.2630	0.000	1	108.2606	0.180	5	107.3520	3.996	29	107.0839	7.793	99	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]C[6a])(N[6]C[6]S)(CCHH)(H)	C(C[6]C[6]N[6]H)(CH3)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[4,6]C[6a])(N[6]C[6]S)(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]N[6]H)(CH3)(H)2	H(C[6]C[6]N[6]C)	108.7350	0.000	1	108.7350	0.000	1	107.3520	3.996	29	107.0839	7.793	99	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CC[6]HH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]C)(N[6]C[6]C)(CCHH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(CC[6]HH)(H)2	H(C[6]C[6]N[6]C)	102.3760	0.000	1	102.3760	0.000	1	107.3520	3.996	29	107.0839	7.793	99	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]C)(N[6]C[6]S)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]N[6]H)(CCHH)(H)2	H(C[6]C[6]N[6]C)	107.5180	0.000	1	107.5180	0.000	1	107.3520	3.996	29	107.0839	7.793	99	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHO)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCHH)(H){2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(CCHO)(H)2	H(C[6]C[6]N[6]C)	107.6040	0.000	1	107.6040	0.000	1	107.3520	3.996	29	107.0839	7.793	99	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]S)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]H)(N[6]C[6]S)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]N[6]H)(CCHH)(H)2	H(C[6]C[6]N[6]C)	107.6575	0.450	2	107.6575	0.203	2	107.3520	3.996	29	107.0839	7.793	99	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]H)(N[6]N[6]H)(CCHH)(H)	C(C[6]C[6]N[6]H)(CHHO)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]H)(N[6]N[6]H)(CCHH)(H){1|C<3>,2|C<4>}	C(C[6]C[6]N[6]H)(CHHO)(H)2	H(C[6]C[6]N[6]C)	108.0430	0.000	1	108.0430	0.000	1	107.3520	3.996	29	107.0839	7.793	99	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]H)(N[6]O[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHN)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]H)(N[6]O[6]C)(CCHH)(H){1|Br<1>,1|C<4>}	C(C[6]C[6]N[6]H)(CCHN)(H)2	H(C[6]C[6]N[6]C)	108.3640	0.000	1	108.3640	0.000	1	107.3520	3.996	29	107.0839	7.793	99	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CCHH)(H)	C(C[6]C[6]N[6]H)(CH3)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CCHH)(H){1|O<1>,2|C<4>}	C(C[6]C[6]N[6]H)(CH3)(H)2	H(C[6]C[6]N[6]C)	107.1260	0.000	1	107.1260	0.000	1	107.3520	3.996	29	107.0839	7.793	99	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCCH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6]H)(CCCH)(H)2	H(C[6]C[6]N[6]C)	108.6800	0.000	1	108.6800	0.000	1	107.3520	3.996	29	107.0839	7.793	99	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)(H){1|H<1>,2|C<3>}	C(C[6]C[6]N[6]H)(CCHH)(H)2	H(C[6]C[6]N[6]C)	108.2900	0.000	1	107.5130	1.207	2	107.3520	3.996	29	107.0839	7.793	99	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)(H){1|O<1>,2|C<4>}	C(C[6]C[6]N[6]H)(CCHH)(H)2	H(C[6]C[6]N[6]C)	106.7360	0.000	1	107.5130	1.207	2	107.3520	3.996	29	107.0839	7.793	99	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CC[5]HH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]N[6]H)(CC[5]HH)(H)2	H(C[6]C[6]N[6]C)	108.1920	0.371	2	108.1920	0.137	2	107.3520	3.996	29	107.0839	7.793	99	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCCH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(CCCH)(H)2	H(C[6]C[6]N[6]C)	107.6530	0.262	2	107.6530	0.068	2	107.3520	3.996	29	107.0839	7.793	99	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(CCHH)(H)2	H(C[6]C[6]N[6]C)	105.6275	4.431	4	105.6275	19.630	4	107.3520	3.996	29	107.0839	7.793	99	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H)	C(C[6]C[6]N[6]H)(CC[6a]HH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(CC[6a]HH)(H)2	H(C[6]C[6]N[6]C)	106.7500	0.000	1	107.1985	0.402	2	107.3520	3.996	29	107.0839	7.793	99	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H)	C(C[6]C[6]N[6]H)(CC[6a]HH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H){2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(CC[6a]HH)(H)2	H(C[6]C[6]N[6]C)	107.6470	0.000	1	107.1985	0.402	2	107.3520	3.996	29	107.0839	7.793	99	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]O)(N[6]C[6]H)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCCH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]O[6]O)(N[6]C[6]H)(CCHH)(H){1|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(CCCH)(H)2	H(C[6]C[6]N[6]C)	106.1970	0.000	1	106.1970	0.000	1	107.3520	3.996	29	107.0839	7.793	99	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:1:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]O)(N[6]C[6]H)(CCHH)(H)	C(C[6]C[6]N[6]H)(CHHS)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]O[6]O)(N[6]C[6]H)(CCHH)(H){1|C<3>,2|C<4>}	C(C[6]C[6]N[6]H)(CHHS)(H)2	H(C[6]C[6]N[6]C)	108.3250	0.000	1	108.3250	0.000	1	107.3520	3.996	29	107.0839	7.793	99	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6a]Si[5])(C[6]C[6]H)(CCHH)(H)	C(C[6]N[5,6]C[6]H)(CCHH)(H)2	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6,6a]Si[5])(C[6]C[6]H)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C(C[6]N[5,6]C[6]H)(CCHH)(H)2	H(C[6]N[5,6]C[6]C)	108.5620	0.000	1	108.5620	0.000	1	108.5620	0.000	1	107.0839	7.793	99	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:1:1:	4:	N[5a,6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(CCHH)(H)	C(C[6]N[5a,6]C[6]H)(CCHH)(H)2	H(C[6]N[5a,6]C[6]C)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]N[5a,6]C[6]H)(CCHH)(H)2	H(C[6]N[5a,6]C[6]C)	105.0540	0.361	2	105.0540	0.130	2	106.3283	4.937	3	107.0839	7.793	99	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:1:1:	4:	N[5a,6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(CCHH)(H)	C(C[6]N[5a,6]C[6]H)(CCHN)(H)2	H(C[6]N[5a,6]C[6]C)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(CCHH)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C(C[6]N[5a,6]C[6]H)(CCHN)(H)2	H(C[6]N[5a,6]C[6]C)	108.8770	0.000	1	108.8770	0.000	1	106.3283	4.937	3	107.0839	7.793	99	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:1:1:	4:	N[6,6a]-3:C[6]-3:C-4:H-1:	C[5]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[5]HH)(H)	C(C[5]C[5,6a]C[5,5]O)(C[6]N[6,6a]C[6]H)(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]O)(CC[5]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>}	C(C[5]C[5,6a]C[5,5]O)(C[6]N[6,6a]C[6]H)(H)2	H(C[6]N[6,6a]C[6]C)	107.9347	0.834	3	107.8353	0.503	4	107.8353	0.503	4	107.0839	7.793	99	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:1:1:	4:	N[6,6a]-3:C[6]-3:C-4:H-1:	C[5]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[5]HH)(H)	C(C[5]C[5,6a]C[5,5]O)(C[6]N[6,6a]C[6]H)(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]O)(CC[5]HH)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]C[5,5]O)(C[6]N[6,6a]C[6]H)(H)2	H(C[6]N[6,6a]C[6]C)	107.5370	0.000	1	107.8353	0.503	4	107.8353	0.503	4	107.0839	7.793	99	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:1:1:	4:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHH)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHH)(H){1|H<1>,2|C<4>}	C(C[6]C[6]N[6]H)(CCHH)(H)2	H(C[6]C[6]N[6]C)	108.6200	0.000	1	108.6200	0.000	1	107.5154	0.604	5	107.0839	7.793	99	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:1:1:	4:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]O)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHO)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6a]C[6])(C[6]N[6]O)(CCHH)(H){1|N<2>,2|C<3>,2|H<1>}	C(C[6]C[6]N[6]H)(CCHO)(H)2	H(C[6]C[6]N[6]C)	107.9020	0.000	1	107.5415	0.260	2	107.5154	0.604	5	107.0839	7.793	99	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:1:1:	4:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]O)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHO)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6a]C[6])(C[6]N[6]O)(CCHH)(H){1|O<1>,2|C<3>,2|C<4>}	C(C[6]C[6]N[6]H)(CCHO)(H)2	H(C[6]C[6]N[6]C)	107.1810	0.000	1	107.5415	0.260	2	107.5154	0.604	5	107.0839	7.793	99	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:1:1:	4:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]O[6])(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHH)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6a]O[6])(C[6]C[6]C)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]N[6]H)(CCHH)(H)2	H(C[6]C[6]N[6]C)	106.5740	0.000	1	106.5740	0.000	1	107.5154	0.604	5	107.0839	7.793	99	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:1:1:	4:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](N[6]N[5,6]C)(C[6]C[6]H)(CCHH)(H)	C(C[6]C[6]N[6]H)(CH3)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]N[5,6]C)(C[6]C[6]H)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6]H)(CH3)(H)2	H(C[6]C[6]N[6]C)	107.3000	0.000	1	107.3000	0.000	1	107.5154	0.604	5	107.0839	7.793	99	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:1:1:	4:	N[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6])(CCHH)(H)	C(C[6]N[6]2H)(CCHH)(H)2	H(C[6]N[6]2C)	C[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6])(CCHH)(H){1|C<4>,2|H<1>,5|C<3>}	C(C[6]N[6]2H)(CCHH)(H)2	H(C[6]N[6]2C)	107.4120	0.000	1	107.4120	0.000	1	107.4120	0.000	1	107.0839	7.793	99	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:2:1:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHO)(H)	C(C[6]C[6,6a]C[6]H)(CCHO)(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]C)(CCHO)(H){1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(CCHO)(OC)(H)	H(C[6]C[6,6a]C[6]C)	109.5850	0.000	1	109.5850	0.000	1	109.5850	0.000	1	104.3230	62.779	5	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:2:1:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CCHO)(H)	C(C[6]C[6,6a]N[6]H)(CCHO)(OC)(H)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CCHO)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]H)(CCHO)(OC)(H)	H(C[6]C[6,6a]N[6]C)	90.5481	0.000	1	90.5481	0.000	1	90.5481	0.000	1	104.3230	62.779	5	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:2:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[5]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]O)(N[6]O[6]C)(CC[5]HO)(H)	C(C[5]C[5]O[5]H)(C[6]C[6]N[6]H)(OSi)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]O)(N[6]O[6]C)(CC[5]HO)(H){1|C<4>,1|H<1>}	C(C[5]C[5]O[5]H)(C[6]C[6]N[6]H)(OSi)(H)	H(C[6]C[6]N[6]C)	105.9010	0.035	2	105.9010	0.001	2	105.9010	0.001	2	104.3230	62.779	5	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:2:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]O)(N[6]C[6]C)(CCHO)(H)	C(C[6]C[6]N[6]H)(CH3)(OH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]O)(N[6]C[6]C)(CCHO)(H){1|Mo<8>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(CH3)(OH)(H)	H(C[6]C[6]N[6]C)	109.6800	0.000	1	109.6800	0.000	1	109.6800	0.000	1	104.3230	62.779	5	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:2:2:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:O-2:O-2:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CCOO)(H)	C(C[6]C[6]N[6]H)(CCHH)(OSi)(OC)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCOO)(H){1|O<1>,2|C<4>}	C(C[6]C[6]N[6]H)(CCHH)(OSi)(OC)	H(C[6]C[6]N[6]C)	105.8900	0.000	1	105.8900	0.000	1	105.8900	0.000	1	105.8900	0.000	1	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:3:1:	4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(CCCH)(H)	C(C[6]C[5a,6]N[6]H)(CCHH)(CCO)(H)	H(C[6]C[5a,6]N[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(CCCH)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[5a,6]N[6]H)(CCHH)(CCO)(H)	H(C[6]C[5a,6]N[6]C)	110.0050	0.000	1	110.0050	0.000	1	110.0050	0.000	1	107.4840	3.332	10	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:3:1:	4:	C[6,6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CCCH)(H)	C(C[6]C[6,6]C[6]H)(CH3)(CCH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CCCH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]H)(CH3)(CCH)(H)	H(C[6]C[6,6]C[6]C)	108.6580	0.000	1	108.6580	0.000	1	108.6580	0.000	1	107.4840	3.332	10	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[5]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(CC[5]CH)(H)	C(C[5]C[5,6a]C[5]H)(C[6]C[6,6a]2H)(CC[6a]O)(H)	H(C[6]C[6,6a]2C)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[5]CH)(H){2|H<1>,5|C<3>}	C(C[5]C[5,6a]C[5]H)(C[6]C[6,6a]2H)(CC[6a]O)(H)	H(C[6]C[6,6a]2C)	108.7550	0.000	1	108.7550	0.000	1	108.7550	0.000	1	107.4840	3.332	10	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH)(H)	C(C[6]C[6,6a]C[6]H)(CCHH)(CCO)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(CCHH)(CCO)(H)	H(C[6]C[6,6a]C[6]C)	107.8163	0.265	3	107.8163	0.070	3	107.8163	0.070	3	107.4840	3.332	10	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:3:1:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCCH)(H)	C(C[6]C[6,6a]N[6]H)(CC[6a]HH)(CCO)(H)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCCH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]H)(CC[6a]HH)(CCO)(H)	H(C[6]C[6,6a]N[6]C)	106.9170	0.000	1	106.9170	0.000	1	106.9170	0.000	1	107.4840	3.332	10	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:3:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]N[6]O)2(CC[6]CH)(H)	C(C[6]C[6]2H)2(CCO)(H)	H(C[6]C[6]2C)	C[6](C[6]N[6]O)2(CC[6]CH)(H){1|C<3>,2|C<4>}	C(C[6]C[6]2H)2(CCO)(H)	H(C[6]C[6]2C)	104.4210	0.744	2	104.4210	0.553	2	104.4210	0.553	2	107.4840	3.332	10	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:3:1:	4:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCCH)(H)	C(C[6]C[6]N[6]H)(CCHH)(COO)(H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCCH)(H){1|H<1>,2|C<3>}	C(C[6]C[6]N[6]H)(CCHH)(COO)(H)	H(C[6]C[6]N[6]C)	108.2140	0.000	1	108.2140	0.000	1	108.2140	0.000	1	107.4840	3.332	10	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6,6]C[6,6]C[6])(CCCH)(H)	C(C[6]C[6,6a]C[6,6]H)(CH3)2(H)	H(C[6]C[6,6a]C[6,6]C)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6,6]C[6,6]C[6])(CCCH)(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C(C[6]C[6,6a]C[6,6]H)(CH3)2(H)	H(C[6]C[6,6a]C[6,6]C)	108.5800	0.000	1	108.5800	0.000	1	108.3380	0.117	2	107.0966	5.136	44	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CCCH)(H)	C(C[6]C[6,6a]C[6,6]H)(CH3)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])(CCCH)(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C(C[6]C[6,6a]C[6,6]H)(CH3)2(H)	H(C[6]C[6,6a]C[6,6]C)	108.0960	0.000	1	108.0960	0.000	1	108.3380	0.117	2	107.0966	5.136	44	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(CCCH)(H)	C(C[6]C[6,6a]2H)(CCHH)(CHHO)(H)	H(C[6]C[6,6a]2C)	C[6](C[6,6a]C[6,6a]C[6a])2(CCCH)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C(C[6]C[6,6a]2H)(CCHH)(CHHO)(H)	H(C[6]C[6,6a]2C)	108.1730	0.017	2	108.1730	0.000	2	108.2157	0.006	3	107.0966	5.136	44	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(CCCH)(H)	C(C[6]C[6,6a]2H)(CC[6a]CH)(CHHO)(H)	H(C[6]C[6,6a]2C)	C[6](C[6,6a]C[6,6a]C[6a])2(CCCH)(H){1|O<2>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2H)(CC[6a]CH)(CHHO)(H)	H(C[6]C[6,6a]2C)	108.3010	0.000	1	108.3010	0.000	1	108.2157	0.006	3	107.0966	5.136	44	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:4:1:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCCH)(H)	C(C[6]C[6,6a]N[6]H)(CH3)2(H)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCCH)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6,6a]N[6]H)(CH3)2(H)	H(C[6]C[6,6a]N[6]C)	108.1400	0.895	2	108.1400	0.801	2	107.8223	0.703	3	107.0966	5.136	44	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:4:1:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCCH)(H)	C(C[6]C[6,6a]N[6]H)(CH3)2(H)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCCH)(H){1|H<1>,1|S<2>,3|C<3>}	C(C[6]C[6,6a]N[6]H)(CH3)2(H)	H(C[6]C[6,6a]N[6]C)	107.1870	0.000	1	107.1870	0.000	1	107.8223	0.703	3	107.0966	5.136	44	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:4:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]C)2(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]C)2(CCCH)(H){1|C<4>,1|N<3>,1|O<2>}	C(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	107.4350	0.000	1	107.4350	0.000	1	104.3357	23.565	6	107.0966	5.136	44	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:4:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]H)(C[6]C[6]N)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]H)(C[6]C[6]N)(CCCH)(H){1|C<4>,3|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	94.8179	0.000	1	94.8179	0.000	1	104.3357	23.565	6	107.0966	5.136	44	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:4:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]H)2(CCCH)(H){1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	107.0560	0.132	2	105.9520	3.665	3	104.3357	23.565	6	107.0966	5.136	44	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:4:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]H)2(CCCH)(H){1|Si<4>,1|B<4>,1|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	103.7440	0.000	1	105.9520	3.665	3	104.3357	23.565	6	107.0966	5.136	44	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:4:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]O)2(CCCH)(H)	C(C[6]C[6]2H)(CCHH)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]O[6]O)2(CCCH)(H){1|C<4>}	C(C[6]C[6]2H)(CCHH)(CH3)(H)	H(C[6]C[6]2C)	105.9050	0.000	1	105.9050	0.000	1	104.3357	23.565	6	107.0966	5.136	44	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:4:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[4,6]C)(N[6]C[6]S)(CCCH)(H)	C(C[6]C[6]N[6]H)(CH3)2(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[4,6]C)(N[6]C[6]S)(CCCH)(H){2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(CH3)2(H)	H(C[6]C[6]N[6]C)	105.9270	0.000	1	105.9270	0.000	1	107.0285	2.378	17	107.0966	5.136	44	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:4:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C)(N[6]C[6]H)(CCCH)(H)	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6a]C)(N[6]C[6]H)(CCCH)(H){1|O<1>,2|C<3>}	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	H(C[6]C[6]N[6]C)	108.1553	0.890	3	108.1553	0.792	3	107.0285	2.378	17	107.0966	5.136	44	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:4:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(CCCH)(H)	C(C[6]C[6]N[6]H)(CH3)2(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]C)(N[6]C[6]S)(CCCH)(H){1|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(CH3)2(H)	H(C[6]C[6]N[6]C)	106.0990	0.000	1	106.0990	0.000	1	107.0285	2.378	17	107.0966	5.136	44	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:4:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H)	C(C[6]C[6]N[6]H)(CH3)2(H)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6]H)(CH3)2(H)	H(C[6]C[6]N[6]C)	108.5430	0.000	1	106.3730	5.252	6	107.0285	2.378	17	107.0966	5.136	44	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:4:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H)	C(C[6]C[6]N[6]H)(CH3)2(H)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]N[6]H)(CH3)2(H)	H(C[6]C[6]N[6]C)	105.4130	0.000	1	106.3730	5.252	6	107.0285	2.378	17	107.0966	5.136	44	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:4:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H)	C(C[6]C[6]N[6]H)(CH3)2(H)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H){1|C<4>,1|O<1>}	C(C[6]C[6]N[6]H)(CH3)2(H)	H(C[6]C[6]N[6]C)	105.9470	0.451	2	106.3730	5.252	6	107.0285	2.378	17	107.0966	5.136	44	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:4:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H)	C(C[6]C[6]N[6]H)(CH3)2(H)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H){1|O<1>,2|C<4>}	C(C[6]C[6]N[6]H)(CH3)2(H)	H(C[6]C[6]N[6]C)	106.1940	4.472	2	106.3730	5.252	6	107.0285	2.378	17	107.0966	5.136	44	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:4:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(CCCH)(H)	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]H)(CCCH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	H(C[6]C[6]N[6]C)	107.3400	0.017	2	107.3400	0.000	2	107.0285	2.378	17	107.0966	5.136	44	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:4:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]O)(CCCH)(H)	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]O)(CCCH)(H){1|C<4>,1|O<1>,1|O<2>}	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	H(C[6]C[6]N[6]C)	107.3505	0.197	2	107.3505	0.039	2	107.0285	2.378	17	107.0966	5.136	44	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:4:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]N)(N[6]C[6]O)(CCCH)(H)	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]O[6]N)(N[6]C[6]O)(CCCH)(H){1|C<4>,1|O<1>}	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	H(C[6]C[6]N[6]C)	107.2210	0.000	1	107.2210	0.000	1	107.0285	2.378	17	107.0966	5.136	44	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:4:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]O)(N[6]C[6]H)(CCCH)(H)	C(C[6]C[6]N[6]H)(CH3)2(H)	H(C[6]C[6]N[6]C)	C[6](C[6]O[6]O)(N[6]C[6]H)(CCCH)(H){1|C<4>,1|O<1>}	C(C[6]C[6]N[6]H)(CH3)2(H)	H(C[6]C[6]N[6]C)	108.1520	0.000	1	108.1520	0.000	1	107.0285	2.378	17	107.0966	5.136	44	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:4:1:	4:	N[5,6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]O)(CCCH)(H)	C(C[6]N[5,6]C[6]H)(CH3)2(H)	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]O)(CCCH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]N[5,6]C[6]H)(CH3)2(H)	H(C[6]N[5,6]C[6]C)	107.4260	0.000	1	107.4260	0.000	1	107.4445	0.001	2	107.0966	5.136	44	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:4:1:	4:	N[5,6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(CCCH)(H)	C(C[6]N[5,6]C[6]H)(CH3)2(H)	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(CCCH)(H){1|C<4>,1|O<1>,3|C<3>}	C(C[6]N[5,6]C[6]H)(CH3)2(H)	H(C[6]N[5,6]C[6]C)	107.4630	0.000	1	107.4630	0.000	1	107.4445	0.001	2	107.0966	5.136	44	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:4:1:	4:	N[5a,6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(CCCH)(H)	C(C[6]N[5a,6]C[6]H)(CH3)2(H)	H(C[6]N[5a,6]C[6]C)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(CCCH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]N[5a,6]C[6]H)(CH3)2(H)	H(C[6]N[5a,6]C[6]C)	108.1740	0.000	1	108.1740	0.000	1	108.1740	0.000	1	107.0966	5.136	44	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:4:1:	4:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCCH)(H)	C(C[6]C[6]N[6]H)(CCHH)(CHHO)(H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCCH)(H){1|H<1>,2|C<3>}	C(C[6]C[6]N[6]H)(CCHH)(CHHO)(H)	H(C[6]C[6]N[6]C)	107.7935	0.185	2	107.7935	0.034	2	107.7935	0.034	2	107.0966	5.136	44	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:4:1:	4:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:Si-4:C-4:H-1:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]H)(CSiCH)(H)	C(C[6]C[6]N[6]H)(SiC[6a]2C)(CH3)(H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6]C)(C[6]C[6]H)(CSiCH)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6]H)(SiC[6a]2C)(CH3)(H)	H(C[6]C[6]N[6]C)	107.5700	0.011	2	107.5700	0.000	2	107.5700	0.000	2	107.0966	5.136	44	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:4:1:	4:	N[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:F-1:	C[6]-4:	C[6](N[6]C[6,6a]C)(N[6]C[6]H)(CCCF)(H)	C(C[6]N[6]2H)(CH3)2(F)	H(C[6]N[6]2C)	C[6](N[6]C[6,6a]C)(N[6]C[6]H)(CCCF)(H){1|O<1>,2|C<3>}	C(C[6]N[6]2H)(CH3)2(F)	H(C[6]N[6]2C)	107.2350	0.000	1	107.2350	0.000	1	107.2350	0.000	1	107.0966	5.136	44	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:4:1:	4:	N[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](N[6]C[6]C)(N[6]C[6]H)(CCCH)(H)	C(C[6]N[6]2H)(CH3)2(H)	H(C[6]N[6]2C)	C[6](N[6]C[6]C)(N[6]C[6]H)(CCCH)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]N[6]2H)(CH3)2(H)	H(C[6]N[6]2C)	108.1872	0.311	5	108.1872	0.097	5	108.1872	0.097	5	107.0966	5.136	44	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:4:4:	4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(N[6]C[6]C)(CC3)(H)	C(C[6]C[5a,6]N[6]H)(CCHH)(CHHO)(CH3)	H(C[6]C[5a,6]N[6]C)	C[6](C[5a,6]C[5a,6]O[5a])(N[6]C[6]C)(CC3)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[5a,6]N[6]H)(CCHH)(CHHO)(CH3)	H(C[6]C[5a,6]N[6]C)	106.7240	0.000	1	106.7240	0.000	1	106.7240	0.000	1	106.5229	1.986	11	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:4:4:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[5]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[5]CC)(H)	C(C[5]C[5,6a]C[5]O)(C[6]C[6]2H)(CH3)2	H(C[6]C[6]2C)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[5]CC)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>}	C(C[5]C[5,6a]C[5]O)(C[6]C[6]2H)(CH3)2	H(C[6]C[6]2C)	106.0720	0.000	1	106.0720	0.000	1	106.0720	0.000	1	106.5229	1.986	11	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:4:4:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6a]C[6])2(CC3)(H)	C(C[6]C[6]2H)(CH3)3	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6])2(CC3)(H){1|N<3>,2|H<1>,4|C<3>}	C(C[6]C[6]2H)(CH3)3	H(C[6]C[6]2C)	106.5370	0.000	1	106.5370	0.000	1	106.5370	0.000	1	106.5229	1.986	11	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:4:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CC3)(H)	C(C[6]C[6]N[6]H)(CH3)3	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]H)(N[6]C[6]C)(CC3)(H){1|H<1>,2|C<3>}	C(C[6]C[6]N[6]H)(CH3)3	H(C[6]C[6]N[6]C)	107.4390	0.027	2	107.3655	0.014	4	107.5516	0.184	5	106.5229	1.986	11	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:4:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CC3)(H)	C(C[6]C[6]N[6]H)(CH3)3	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]H)(N[6]C[6]C)(CC3)(H){3|C<3>}	C(C[6]C[6]N[6]H)(CH3)3	H(C[6]C[6]N[6]C)	107.2920	0.139	2	107.3655	0.014	4	107.5516	0.184	5	106.5229	1.986	11	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:4:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]N)(CC3)(H)	C(C[6]C[6]N[6]H)(CH3)3	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]H)(N[6]C[6]N)(CC3)(H){1|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(CH3)3	H(C[6]C[6]N[6]C)	108.2960	0.000	1	108.2960	0.000	1	107.5516	0.184	5	106.5229	1.986	11	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:4:4:	4:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](N[6]C[6]Li)(C[6]C[6]H)(CC3)(H)	C(C[6]C[6]N[6]H)(CH3)3	H(C[6]C[6]N[6]C)	C[6](N[6]C[6]Li)(C[6]C[6]H)(CC3)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6]H)(CH3)3	H(C[6]C[6]N[6]C)	102.9650	0.000	1	102.9650	0.000	1	104.8870	2.782	3	106.5229	1.986	11	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:4:4:	4:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CC3)(H)	C(C[6]C[6]N[6]H)(CH3)3	H(C[6]C[6]N[6]C)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CC3)(H){1|C<4>,1|N<3>,2|C<3>}	C(C[6]C[6]N[6]H)(CH3)3	H(C[6]C[6]N[6]C)	105.9560	0.000	1	105.9560	0.000	1	104.8870	2.782	3	106.5229	1.986	11	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:3:4:1:	4:4:4:4:	4:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](N[6]C[6a]O[6])(C[6]C[6]H)(CC3)(H)	C(C[6]C[6]N[6]H)(CCHH)(CH3)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6a]O[6])(C[6]C[6]H)(CC3)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]N[6]H)(CCHH)(CH3)2	H(C[6]C[6]N[6]C)	105.7400	0.000	1	105.7400	0.000	1	104.8870	2.782	3	106.5229	1.986	11	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:2:1:	3:4:1:1:	4:	C[6]-3:C-4:N[6]-2:H-1:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]O)(CC[5a]HH)(N[6]C[6])(H)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(CC[5a]HH)(N[6]C[6])(H){1|O<2>,2|C<4>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	H(C[6]C[6]N[6]C)	114.6910	0.000	1	114.6910	0.000	1	114.6910	0.000	1	111.8190	16.497	2	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:2:1:	3:4:1:1:	4:	C[6]-3:C-4:O[6]-2:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]H)(CC[6a]HH)(O[6]C[6])(H)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]O[6]H)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]H)(CC[6a]HH)(O[6]C[6])(H){2|C<4>,2|H<1>}	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]O[6]H)(H)2	H(C[6]C[6]O[6]C)	108.9470	0.000	1	108.9470	0.000	1	108.9470	0.000	1	111.8190	16.497	2	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:2:1:	4:3:1:1:	4:	C[6,6a]-3:C-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]HH)(O[6]C[6])(H)	C(C[6]C[6,6a]O[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C(C[6]C[6,6a]O[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6,6a]O[6]C)	106.3700	0.000	1	106.3700	0.000	1	106.3700	0.000	1	107.4549	0.810	12	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:2:1:	4:3:1:1:	4:	C[6]-3:C-4:N[6]-2:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]O)(CC[6a]HH)(N[6]C[6])(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[5,6]O)(CC[6a]HH)(N[6]C[6])(H){2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	109.2080	0.000	1	109.2080	0.000	1	107.4966	0.619	7	107.4549	0.810	12	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:2:1:	4:3:1:1:	4:	C[6]-3:C-4:N[6]-2:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]O)(CC[6a]HH)(N[6]C[6])(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(CC[6a]HH)(N[6]C[6])(H){1|C<4>,1|O<2>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	107.2113	0.242	6	107.2113	0.059	6	107.4966	0.619	7	107.4549	0.810	12	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:2:1:	4:3:1:1:	4:	C[6]-3:C-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]O)(CC[6a]HH)(O[6]C[6])(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]O)(CC[6a]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]O[6]C)	109.2730	0.000	1	109.2730	0.000	1	107.6532	1.283	4	107.4549	0.810	12	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:2:1:	4:3:1:1:	4:	C[6]-3:C-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]S)(CC[6a]HH)(O[6]C[6])(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]S)(CC[6a]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]O[6]C)	107.1680	0.000	1	107.1133	0.175	3	107.6532	1.283	4	107.4549	0.810	12	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:2:1:	4:3:1:1:	4:	C[6]-3:C-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]S)(CC[6a]HH)(O[6]C[6])(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]S)(CC[6a]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|S<1>}	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]O[6]C)	107.0860	0.588	2	107.1133	0.175	3	107.6532	1.283	4	107.4549	0.810	12	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:2:1:	4:3:2:1:	4:	C[6]-3:C-4:N[6]-2:H-1:	C[6]-4:C[6a]-3:O-2:H-1:	C[6]-4:	C[6](C[6]N[6]O)(CC[6a]HO)(N[6]C[6])(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(OH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(CC[6a]HO)(N[6]C[6])(H){1|C<4>,1|O<2>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(OH)(H)	H(C[6]C[6]N[6]C)	107.6540	0.000	1	107.6540	0.000	1	107.6540	0.000	1	107.8930	1.383	3	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:2:1:	4:3:2:1:	4:	C[6]-3:C-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:O-2:H-1:	C[6]-4:	C[6](C[6]N[5,6]O)(CC[6a]HO)(O[6]C[6])(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]N[5,6]O)(CC[6a]HO)(O[6]C[6])(H){2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(OH)(H)	H(C[6]C[6]O[6]C)	106.8550	0.000	1	106.8550	0.000	1	108.0125	2.680	2	107.8930	1.383	3	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:2:1:	4:3:2:1:	4:	C[6]-3:C-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:O-2:H-1:	C[6]-4:	C[6](C[6]N[6]O)(CC[6a]HO)(O[6]C[6])(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]O)(CC[6a]HO)(O[6]C[6])(H){2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(OH)(H)	H(C[6]C[6]O[6]C)	109.1700	0.000	1	109.1700	0.000	1	108.0125	2.680	2	107.8930	1.383	3	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:2:1:	4:3:3:1:	4:	C[6,6a]-3:C-4:N[6]-2:H-1:	C[6]-4:C[6a]-3:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]CH)(N[6]C[6])(H)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CCO)(H)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]CH)(N[6]C[6])(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CCO)(H)	H(C[6]C[6,6a]N[6]C)	106.1350	0.000	2	106.1350	0.000	2	106.9393	1.941	3	107.7733	1.558	7	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:2:1:	4:3:3:1:	4:	C[6,6a]-3:C-4:N[6]-2:H-1:	C[6]-4:C[6a]-3:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]CH)(N[6]C[6])(H)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CNO)(H)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]CH)(N[6]C[6])(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CNO)(H)	H(C[6]C[6,6a]N[6]C)	108.5480	0.000	1	108.5480	0.000	1	106.9393	1.941	3	107.7733	1.558	7	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:2:1:	4:3:3:1:	4:	C[6,6a]-3:C-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]CH)(O[6]C[6])(H)	C(C[6]C[6,6a]O[6]H)(C[6a]C[6a]2)(CC[6a]O)(H)	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]CH)(O[6]C[6])(H){1|H<1>,4|C<3>}	C(C[6]C[6,6a]O[6]H)(C[6a]C[6a]2)(CC[6a]O)(H)	H(C[6]C[6,6a]O[6]C)	108.3210	0.687	2	108.3210	0.472	2	108.3210	0.472	2	107.7733	1.558	7	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:2:1:	4:3:3:1:	4:	C[6]-3:C-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]C)(CC[6a]CH)(O[6]C[6])(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]C)(CC[6a]CH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCC)(H)	H(C[6]C[6]O[6]C)	107.6650	0.000	1	107.6650	0.000	1	107.6650	0.000	1	107.7733	1.558	7	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:2:1:	4:3:3:1:	4:	C[6]-3:C-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(CC[6a]2H)(O[6]C[6])(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)2(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]H)(CC[6a]2H)(O[6]C[6])(H){2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)2(H)	H(C[6]C[6]O[6]C)	109.2880	0.000	1	109.2880	0.000	1	109.2880	0.000	1	107.7733	1.558	7	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:2:1:	4:3:4:1:	4:	C[6]-3:C-4:N[6]-2:H-1:	C[6]-4:C[6a]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]O)(CC[6a]CH)(N[6]C[6])(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CHHN)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(CC[6a]CH)(N[6]C[6])(H){1|C<4>,1|O<2>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CHHN)(H)	H(C[6]C[6]N[6]C)	106.9330	0.000	1	106.9330	0.000	1	106.9330	0.000	1	106.8603	0.080	4	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:2:1:	4:3:4:1:	4:	C[6]-3:C-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]C)(CC[6a]CH)(O[6]O[6])(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCCH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]C)(CC[6a]CH)(O[6]O[6])(H){1|C<4>,1|H<1>}	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCCH)(H)	H(C[6]C[6]O[6]C)	106.4460	0.000	1	106.4460	0.000	1	106.8360	0.116	3	106.8603	0.080	4	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:2:1:	4:3:4:1:	4:	C[6]-3:C-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]O)(CC[6a]CH)(O[6]C[6])(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CHHN)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]O[6]O)(CC[6a]CH)(O[6]C[6])(H){1|O<2>,2|C<4>}	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CHHN)(H)	H(C[6]C[6]O[6]C)	107.0310	0.069	2	107.0310	0.005	2	106.8360	0.116	3	106.8603	0.080	4	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	3:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[5a]-3: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(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(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(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	107.9300	0.195	2	107.9300	0.038	2	107.7865	0.040	4	106.2246	6.593	10	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	3:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(CC[5a]HH)(H)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(H)2	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(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	107.6430	0.000	2	107.6430	0.000	2	107.7865	0.040	4	106.2246	6.593	10	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	3:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6a]-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(C[6a]C[6a]2)(C[6]C[6]2H)(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(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	107.4250	0.000	1	107.4250	0.000	1	105.1833	8.590	6	106.2246	6.593	10	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	3:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6a]-3: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(C[6a]C[6a]2)(C[6]C[6]2H)(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(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	103.2695	5.455	2	103.2695	29.761	2	105.1833	8.590	6	106.2246	6.593	10	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	3:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6a]-3: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(C[6a]C[6a]2)(C[6]C[6]2H)(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(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	105.7100	0.008	2	105.7120	0.000	3	105.1833	8.590	6	106.2246	6.593	10	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	3:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6a]-3: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(C[6a]C[6a]2)(C[6]C[6]2H)(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(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	105.7160	0.000	1	105.7120	0.000	3	105.1833	8.590	6	106.2246	6.593	10	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	3:4:2:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	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(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	H(C[6]C[6]2C)	108.3955	0.087	2	108.3955	0.008	2	107.6884	0.437	5	107.6884	0.437	5	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	3:4:2:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	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(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	H(C[6]C[6]2C)	107.1330	0.000	1	107.1330	0.000	1	107.6884	0.437	5	107.6884	0.437	5	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	3:4:2:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]Se[6]HH)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OC)(H)	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(C[6a]C[6a]2)(C[6]C[6]2H)(OC)(H)	H(C[6]C[6]2C)	107.2590	0.255	2	107.2590	0.065	2	107.6884	0.437	5	107.6884	0.437	5	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	3:4:3:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCH)(H)	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(C[6a]C[6a]2)(C[6]C[6]2H)(CCH)(H)	H(C[6]C[6]2C)	106.8970	0.000	1	106.8970	0.000	1	106.8970	0.000	1	107.0483	0.740	3	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	3:4:3:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CC[6a]HN)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(NCH)(H)	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(C[6a]C[6a]2)(C[6]C[6]2H)(NCH)(H)	H(C[6]C[6]2C)	107.9740	0.000	1	107.9740	0.000	1	107.1240	1.445	2	107.0483	0.740	3	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	3:4:3:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CC[6a]HN)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(NCH)(H)	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(C[6a]C[6a]2)(C[6]C[6]2H)(NCH)(H)	H(C[6]C[6]2C)	106.2740	0.000	1	106.2740	0.000	1	107.1240	1.445	2	107.0483	0.740	3	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	3:4:4:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	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(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	H(C[6]C[6]2C)	107.5695	0.238	2	107.5695	0.057	2	107.8840	0.923	10	107.8840	0.923	10	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	3:4:4:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	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(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	H(C[6]C[6]2C)	109.0220	0.000	2	109.0220	0.000	2	107.8840	0.923	10	107.8840	0.923	10	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	3:4:4:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CHHN)(H)	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(C[6a]C[6a]2)(C[6]C[6]2H)(CHHN)(H)	H(C[6]C[6]2C)	108.5560	0.359	2	108.5560	0.129	2	107.8840	0.923	10	107.8840	0.923	10	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	3:4:4:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C)(C[6]S[6]HH)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	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(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	H(C[6]C[6]2C)	107.7970	0.010	2	107.7970	0.000	2	107.8840	0.923	10	107.8840	0.923	10	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	3:4:4:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCCH)(H)	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(C[6a]C[6a]2)(C[6]C[6]2H)(CCCH)(H)	H(C[6]C[6]2C)	106.0020	0.000	1	106.0020	0.000	1	107.8840	0.923	10	107.8840	0.923	10	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	3:4:4:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	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(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	H(C[6]C[6]2C)	106.9490	0.000	1	106.9490	0.000	1	107.8840	0.923	10	107.8840	0.923	10	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[3x6]-3:C[5,6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[5x6]C[6,6])(C[5,6]C[5,6]C[5]H)(CH3)(H)	C(C[6]C[3x6]C[5,6]H)(H)3	H(C[6]C[3x6]C[5,6]C)	C[6](C[3x6]C[5x6]C[6,6])(C[5,6]C[5,6]C[5]H)(CH3)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C(C[6]C[3x6]C[5,6]H)(H)3	H(C[6]C[3x6]C[5,6]C)	106.6670	0.000	1	106.6670	0.000	1	106.6670	0.000	1	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	105.0310	0.057	2	105.0310	0.003	2	107.4495	1.792	10	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	108.2440	0.000	1	108.2440	0.000	1	107.4495	1.792	10	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	107.2920	0.000	1	108.0270	0.244	7	107.4495	1.792	10	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	108.3607	0.314	4	108.0270	0.244	7	107.4495	1.792	10	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	107.7270	0.047	2	108.0270	0.244	7	107.4495	1.792	10	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5a,6]-3:C[5,6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]O[5,6]C[5]H)(CH3)(H)	C(C[6]C[5a,6]C[5,6]H)(H)3	H(C[6]C[5a,6]C[5,6]C)	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]O[5,6]C[5]H)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[5a,6]C[5,6]H)(H)3	H(C[6]C[5a,6]C[5,6]C)	107.8640	0.000	1	107.8640	0.000	1	107.8640	0.000	1	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5a,6]-3:C[6,6]-4:C-4:H-1:	C[6]-4:H-1:H-1: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(C[6]C[5a,6]C[6,6]H)(H)3	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(C[6]C[5a,6]C[6,6]H)(H)3	H(C[6]C[5a,6]C[6,6]C)	107.6860	0.123	3	107.6797	0.043	7	107.6841	0.317	13	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5a,6]-3:C[6,6]-4:C-4:H-1:	C[6]-4:H-1:H-1: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(C[6]C[5a,6]C[6,6]H)(H)3	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(C[6]C[5a,6]C[6,6]H)(H)3	H(C[6]C[5a,6]C[6,6]C)	107.6750	0.274	4	107.6797	0.043	7	107.6841	0.317	13	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5a,6]-3:C[6,6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[5a,6]C[6,6]H)(H)3	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(C[6]C[5a,6]C[6,6]H)(H)3	H(C[6]C[5a,6]C[6,6]C)	108.1430	0.537	4	107.8052	0.787	5	107.6841	0.317	13	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5a,6]-3:C[6,6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[5a,6]C[6,6]H)(H)3	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(C[6]C[5a,6]C[6,6]H)(H)3	H(C[6]C[5a,6]C[6,6]C)	106.4540	0.000	1	107.8052	0.787	5	107.6841	0.317	13	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5a,6]-3:C[6,6]-4:C-4:H-1:	C[6]-4:H-1:H-1: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(C[6]C[5a,6]C[6,6]H)(H)3	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(C[6]C[5a,6]C[6,6]H)(H)3	H(C[6]C[5a,6]C[6,6]C)	107.1090	0.000	1	107.1090	0.000	1	107.6841	0.317	13	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:Cl-1: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(C[6]C[5a,6]C[6]H)(Cl)(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(C[6]C[5a,6]C[6]H)(Cl)(H)2	H(C[6]C[5a,6]C[6]C)	107.8990	0.000	1	107.8990	0.000	1	107.8990	0.000	1	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:F-1:F-1:F-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CF3)(H)	C(C[6]C[5a,6]C[6]H)(F)3	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(C[6]C[5a,6]C[6]H)(F)3	H(C[6]C[5a,6]C[6]C)	107.2430	0.000	1	107.2430	0.000	1	107.2430	0.000	1	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]S[6]CH)(CH3)(H)	C(C[6]C[5a,6]C[6]H)(H)3	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(C[6]C[5a,6]C[6]H)(H)3	H(C[6]C[5a,6]C[6]C)	106.5520	0.000	1	106.5520	0.000	1	107.9435	1.224	4	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[5a,6]C[6]H)(H)3	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(C[6]C[5a,6]C[6]H)(H)3	H(C[6]C[5a,6]C[6]C)	107.9010	0.000	1	108.5775	0.915	2	107.9435	1.224	4	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[5a,6]C[6]H)(H)3	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(C[6]C[5a,6]C[6]H)(H)3	H(C[6]C[5a,6]C[6]C)	109.2540	0.000	1	108.5775	0.915	2	107.9435	1.224	4	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-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(C[6]C[5a,6]C[6]H)(H)3	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(C[6]C[5a,6]C[6]H)(H)3	H(C[6]C[5a,6]C[6]C)	108.0670	0.000	1	108.0670	0.000	1	107.9435	1.224	4	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5a,6]-3:N[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]HH)(CH3)(H)	C(C[6]C[5a,6]N[6]H)(H)3	H(C[6]C[5a,6]N[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[5a,6]N[6]H)(H)3	H(C[6]C[5a,6]N[6]C)	108.8270	0.038	2	108.7583	0.015	3	108.7583	0.015	3	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[5a,6]-3:N[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]HH)(CH3)(H)	C(C[6]C[5a,6]N[6]H)(H)3	H(C[6]C[5a,6]N[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[5a,6]N[6]H)(H)3	H(C[6]C[5a,6]N[6]C)	108.6210	0.000	1	108.7583	0.015	3	108.7583	0.015	3	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	108.2890	0.256	2	108.2890	0.066	2	107.5806	0.815	20	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6])(C[6]O[6]HH)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	108.2440	0.270	2	108.2440	0.073	2	107.5806	0.815	20	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	108.8235	0.057	2	108.1178	0.716	4	107.5806	0.815	20	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	107.6890	0.000	1	108.1178	0.716	4	107.5806	0.815	20	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	107.1350	0.000	1	108.1178	0.716	4	107.5806	0.815	20	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	106.9270	0.000	1	106.9270	0.000	1	107.5806	0.815	20	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[6]CH)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	106.1090	0.000	1	106.1090	0.000	1	107.5806	0.815	20	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	106.8533	0.945	3	106.8533	0.894	3	107.5806	0.815	20	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	108.4060	0.000	1	108.4060	0.000	1	107.5806	0.815	20	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	107.9700	0.000	1	107.0980	0.338	4	107.5806	0.815	20	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	106.8073	0.027	3	107.0980	0.338	4	107.5806	0.815	20	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	106.9970	0.000	1	106.9970	0.000	1	107.5806	0.815	20	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]CH)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	108.6850	0.000	1	108.6850	0.000	1	107.5806	0.815	20	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6]-4:F-1:F-1:F-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CF3)(H)	C(C[6]C[6,6a]C[5,6]H)(F)3	H(C[6]C[6,6a]C[5,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CF3)(H){2|C<4>,3|C<3>,4|H<1>}	C(C[6]C[6,6a]C[5,6]H)(F)3	H(C[6]C[6,6a]C[5,6]C)	107.4890	0.000	1	107.4890	0.000	1	107.4890	0.000	1	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(CH3)(H)	C(C[6]C[6,6a]C[5,6]H)(H)3	H(C[6]C[6,6a]C[5,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(CH3)(H){1|N<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]C[5,6]H)(H)3	H(C[6]C[6,6a]C[5,6]C)	107.1090	0.000	1	107.1090	0.000	1	107.1800	0.064	7	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(CH3)(H)	C(C[6]C[6,6a]C[5,6]H)(H)3	H(C[6]C[6,6a]C[5,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(CH3)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C(C[6]C[6,6a]C[5,6]H)(H)3	H(C[6]C[6,6a]C[5,6]C)	107.1345	0.274	4	107.1206	0.057	5	107.1800	0.064	7	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(CH3)(H)	C(C[6]C[6,6a]C[5,6]H)(H)3	H(C[6]C[6,6a]C[5,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(CH3)(H){1|N<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]C[5,6]H)(H)3	H(C[6]C[6,6a]C[5,6]C)	107.0650	0.000	1	107.1206	0.057	5	107.1800	0.064	7	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(CH3)(H)	C(C[6]C[6,6a]C[5,6]H)(H)3	H(C[6]C[6,6a]C[5,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(CH3)(H){2|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6,6a]C[5,6]H)(H)3	H(C[6]C[6,6a]C[5,6]C)	107.5480	0.000	1	107.5480	0.000	1	107.1800	0.064	7	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6]-4:F-1:F-1:F-1:	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(C[6]C[6,6a]C[6,6]H)(F)3	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(C[6]C[6,6a]C[6,6]H)(F)3	H(C[6]C[6,6a]C[6,6]C)	108.1670	0.000	1	108.1670	0.000	1	108.1670	0.000	1	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2C)(CH3)(H)	C(C[6]C[6,6a]C[6,6]H)(H)3	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(C[6]C[6,6a]C[6,6]H)(H)3	H(C[6]C[6,6a]C[6,6]C)	106.7720	0.000	1	106.7720	0.000	1	107.2977	0.350	6	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6,6a]C[6,6]H)(H)3	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(C[6]C[6,6a]C[6,6]H)(H)3	H(C[6]C[6,6a]C[6,6]C)	107.1195	0.288	2	107.1195	0.083	2	107.2977	0.350	6	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6,6a]C[6,6]H)(H)3	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(C[6]C[6,6a]C[6,6]H)(H)3	H(C[6]C[6,6a]C[6,6]C)	108.1210	0.000	1	107.5917	0.535	3	107.2977	0.350	6	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6,6a]C[6,6]H)(H)3	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(C[6]C[6,6a]C[6,6]H)(H)3	H(C[6]C[6,6a]C[6,6]C)	106.7570	0.000	1	107.5917	0.535	3	107.2977	0.350	6	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6,6a]C[6,6]H)(H)3	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(C[6]C[6,6a]C[6,6]H)(H)3	H(C[6]C[6,6a]C[6,6]C)	107.8970	0.000	1	107.5917	0.535	3	107.2977	0.350	6	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:Cl-1:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(CClHH)(H)	C(C[6]C[6,6a]C[6]H)(Cl)(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(C[6]C[6,6a]C[6]H)(Cl)(H)2	H(C[6]C[6,6a]C[6]C)	108.3000	0.214	3	108.3000	0.046	3	107.7168	1.391	4	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:Cl-1: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(C[6]C[6,6a]C[6]H)(Cl)(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(C[6]C[6,6a]C[6]H)(Cl)(H)2	H(C[6]C[6,6a]C[6]C)	105.9670	0.000	1	105.9670	0.000	1	107.7168	1.391	4	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6a]C[6]H)(H)3	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(C[6]C[6,6a]C[6]H)(H)3	H(C[6]C[6,6a]C[6]C)	107.9130	0.000	1	107.9130	0.000	1	107.1891	3.572	53	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6a]C[6]H)(H)3	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(C[6]C[6,6a]C[6]H)(H)3	H(C[6]C[6,6a]C[6]C)	107.5190	0.000	1	107.5190	0.000	1	107.1891	3.572	53	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]CH)(CH3)(H)	C(C[6]C[6,6a]C[6]H)(H)3	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(C[6]C[6,6a]C[6]H)(H)3	H(C[6]C[6,6a]C[6]C)	107.1820	0.000	1	107.1820	0.000	1	107.1891	3.572	53	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6a]C[6]H)(H)3	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(C[6]C[6,6a]C[6]H)(H)3	H(C[6]C[6,6a]C[6]C)	108.2978	0.299	4	108.1805	0.088	6	107.1891	3.572	53	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6a]C[6]H)(H)3	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(C[6]C[6,6a]C[6]H)(H)3	H(C[6]C[6,6a]C[6]C)	107.9460	0.078	2	108.1805	0.088	6	107.1891	3.572	53	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6,6a]C[6]H)(H)3	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(C[6]C[6,6a]C[6]H)(H)3	H(C[6]C[6,6a]C[6]C)	108.0480	0.000	1	108.0480	0.000	1	107.1891	3.572	53	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6a]C[6]H)(H)3	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(C[6]C[6,6a]C[6]H)(H)3	H(C[6]C[6,6a]C[6]C)	107.3995	0.057	2	107.3995	0.003	2	107.1891	3.572	53	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CC)(CH3)(H)	C(C[6]C[6,6a]C[6]H)(H)3	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(C[6]C[6,6a]C[6]H)(H)3	H(C[6]C[6,6a]C[6]C)	103.7488	0.449	4	103.7488	0.201	4	107.1891	3.572	53	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6,6a]C[6]H)(H)3	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(C[6]C[6,6a]C[6]H)(H)3	H(C[6]C[6,6a]C[6]C)	107.3770	0.000	1	107.3770	0.000	1	107.1891	3.572	53	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6a]C[6]H)(H)3	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(C[6]C[6,6a]C[6]H)(H)3	H(C[6]C[6,6a]C[6]C)	106.4870	0.000	1	106.4870	0.000	1	107.1891	3.572	53	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6a]C[6]H)(H)3	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(C[6]C[6,6a]C[6]H)(H)3	H(C[6]C[6,6a]C[6]C)	105.8020	0.000	1	105.8020	0.000	1	107.1891	3.572	53	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3)(H)	C(C[6]C[6,6a]C[6]H)(H)3	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(C[6]C[6,6a]C[6]H)(H)3	H(C[6]C[6,6a]C[6]C)	108.5920	0.000	1	108.5920	0.000	1	107.1891	3.572	53	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6a]C[6]H)(H)3	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(C[6]C[6,6a]C[6]H)(H)3	H(C[6]C[6,6a]C[6]C)	107.7540	0.000	1	107.2588	5.440	23	107.1891	3.572	53	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6a]C[6]H)(H)3	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(C[6]C[6,6a]C[6]H)(H)3	H(C[6]C[6,6a]C[6]C)	109.3800	0.000	1	107.2588	5.440	23	107.1891	3.572	53	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6a]C[6]H)(H)3	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(C[6]C[6,6a]C[6]H)(H)3	H(C[6]C[6,6a]C[6]C)	107.2650	0.000	1	107.2588	5.440	23	107.1891	3.572	53	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6a]C[6]H)(H)3	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(C[6]C[6,6a]C[6]H)(H)3	H(C[6]C[6,6a]C[6]C)	107.4100	0.000	1	107.2588	5.440	23	107.1891	3.572	53	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6a]C[6]H)(H)3	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(C[6]C[6,6a]C[6]H)(H)3	H(C[6]C[6,6a]C[6]C)	107.0970	0.000	1	107.2588	5.440	23	107.1891	3.572	53	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6a]C[6]H)(H)3	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(C[6]C[6,6a]C[6]H)(H)3	H(C[6]C[6,6a]C[6]C)	107.8900	0.000	1	107.2588	5.440	23	107.1891	3.572	53	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6a]C[6]H)(H)3	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(C[6]C[6,6a]C[6]H)(H)3	H(C[6]C[6,6a]C[6]C)	107.9479	0.323	9	107.2588	5.440	23	107.1891	3.572	53	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6a]C[6]H)(H)3	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(C[6]C[6,6a]C[6]H)(H)3	H(C[6]C[6,6a]C[6]C)	107.3395	0.142	2	107.2588	5.440	23	107.1891	3.572	53	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6a]C[6]H)(H)3	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(C[6]C[6,6a]C[6]H)(H)3	H(C[6]C[6,6a]C[6]C)	107.5880	0.000	1	107.2588	5.440	23	107.1891	3.572	53	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6a]C[6]H)(H)3	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(C[6]C[6,6a]C[6]H)(H)3	H(C[6]C[6,6a]C[6]C)	107.2370	0.000	1	107.2588	5.440	23	107.1891	3.572	53	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6a]C[6]H)(H)3	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(C[6]C[6,6a]C[6]H)(H)3	H(C[6]C[6,6a]C[6]C)	96.8138	0.000	1	107.2588	5.440	23	107.1891	3.572	53	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6a]C[6]H)(H)3	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(C[6]C[6,6a]C[6]H)(H)3	H(C[6]C[6,6a]C[6]C)	107.4357	0.163	3	107.2588	5.440	23	107.1891	3.572	53	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)(H)	C(C[6]C[6,6a]C[6]H)(H)3	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(C[6]C[6,6a]C[6]H)(H)3	H(C[6]C[6,6a]C[6]C)	108.0190	0.000	1	107.7870	0.108	2	107.1891	3.572	53	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)(H)	C(C[6]C[6,6a]C[6]H)(H)3	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(C[6]C[6,6a]C[6]H)(H)3	H(C[6]C[6,6a]C[6]C)	107.5550	0.000	1	107.7870	0.108	2	107.1891	3.572	53	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]SiH)(CH3)(H)	C(C[6]C[6,6a]C[6]H)(H)3	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(C[6]C[6,6a]C[6]H)(H)3	H(C[6]C[6,6a]C[6]C)	106.7610	0.000	1	106.7610	0.000	1	107.1891	3.572	53	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6a]C[6]H)(H)3	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(C[6]C[6,6a]C[6]H)(H)3	H(C[6]C[6,6a]C[6]C)	106.8035	0.723	2	106.8035	0.523	2	107.1891	3.572	53	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(CH3)(H)	C(C[6]C[6,6a]C[6]H)(H)3	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(C[6]C[6,6a]C[6]H)(H)3	H(C[6]C[6,6a]C[6]C)	108.2140	0.091	2	108.2140	0.008	2	107.1891	3.572	53	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CO)(CH3)(H)	C(C[6]C[6,6a]C[6]H)(H)3	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(C[6]C[6,6a]C[6]H)(H)3	H(C[6]C[6,6a]C[6]C)	107.9120	0.000	1	107.9120	0.000	1	107.1891	3.572	53	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6a]C[6]H)(H)3	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(C[6]C[6,6a]C[6]H)(H)3	H(C[6]C[6,6a]C[6]C)	107.9580	0.000	1	107.9580	0.000	1	107.1891	3.572	53	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6a]C[6]H)(H)3	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(C[6]C[6,6a]C[6]H)(H)3	H(C[6]C[6,6a]C[6]C)	108.0330	0.000	1	108.0330	0.000	1	107.1891	3.572	53	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:I-1:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]HH)(CHHI)(H)	C(C[6]C[6,6a]C[6]H)(H)2(I)	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(C[6]C[6,6a]C[6]H)(H)2(I)	H(C[6]C[6,6a]C[6]C)	108.7133	0.170	3	108.7133	0.029	3	108.7133	0.029	3	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6,6a]-3:N[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6a]N[6]H)(H)3	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]HH)(CH3)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C(C[6]C[6,6a]N[6]H)(H)3	H(C[6]C[6,6a]N[6]C)	108.2540	0.420	2	108.2540	0.176	2	108.2540	0.176	2	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:F-1:F-1:F-1:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CF3)(H)	C(C[6]C[6]2H)(F)3	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(C[6]C[6]2H)(F)3	H(C[6]C[6]2C)	107.8980	0.000	1	108.0775	0.064	2	107.7813	0.295	3	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:F-1:F-1:F-1:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CF3)(H)	C(C[6]C[6]2H)(F)3	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(C[6]C[6]2H)(F)3	H(C[6]C[6]2C)	108.2570	0.000	1	108.0775	0.064	2	107.7813	0.295	3	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:F-1:F-1:F-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CF3)(H)	C(C[6]C[6]2H)(F)3	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(C[6]C[6]2H)(F)3	H(C[6]C[6]2C)	107.1890	0.000	1	107.1890	0.000	1	107.7813	0.295	3	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]O)(C[6]C[6]CH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	110.3950	0.000	1	110.3950	0.000	1	107.5199	2.411	43	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	100.4480	0.000	1	100.4480	0.000	1	107.5199	2.411	43	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.3390	0.000	1	107.3390	0.000	1	107.5199	2.411	43	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.4780	0.000	1	108.4780	0.000	1	107.5199	2.411	43	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[5a])(C[6]C[5,6]CH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.4230	0.000	1	106.4230	0.000	1	107.5199	2.411	43	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.1130	0.000	1	107.1130	0.000	1	107.5199	2.411	43	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.4720	0.000	1	107.4720	0.000	1	107.5199	2.411	43	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]O[6]CH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.3050	0.000	2	108.3050	0.000	2	107.5199	2.411	43	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]CH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.7520	0.000	1	106.7520	0.000	1	107.5199	2.411	43	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.3390	0.362	2	107.1770	0.087	4	107.5199	2.411	43	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.1270	0.000	1	107.1770	0.087	4	107.5199	2.411	43	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.9030	0.000	1	107.1770	0.087	4	107.5199	2.411	43	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.8250	0.143	5	106.8250	0.020	5	107.5199	2.411	43	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.8430	0.000	1	107.8430	0.000	1	107.5199	2.411	43	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.8780	0.000	1	107.8780	0.000	1	107.5199	2.411	43	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[5])(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	109.7160	0.000	1	108.8700	1.431	2	107.5199	2.411	43	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[5])(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.0240	0.000	1	108.8700	1.431	2	107.5199	2.411	43	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.7627	0.573	3	108.7627	0.328	3	107.5199	2.411	43	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6])(C[6]O[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.6473	0.214	3	108.6473	0.046	3	107.5199	2.411	43	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6])(C[6]S[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.7170	0.132	2	107.7170	0.017	2	107.5199	2.411	43	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.8813	0.469	3	107.8813	0.220	3	107.5199	2.411	43	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[5])(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.6860	0.000	1	108.6860	0.000	1	107.5199	2.411	43	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.3070	0.276	2	106.3070	0.076	2	107.5199	2.411	43	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.8160	0.000	1	106.8160	0.000	1	107.5199	2.411	43	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.2720	0.000	1	108.2720	0.000	1	107.5199	2.411	43	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.8305	0.163	2	108.8305	0.027	2	107.5199	2.411	43	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	104.4010	0.000	1	105.3380	1.756	2	107.5199	2.411	43	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.2750	0.000	1	105.3380	1.756	2	107.5199	2.411	43	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	N[4,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]N[4,6]C[6]H)(H)3	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(C[6]N[4,6]C[6]H)(H)3	H(C[6]N[4,6]C[6]C)	108.1610	0.000	1	108.1610	0.000	1	108.1610	0.000	1	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	N[5,6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]N[5,6,6]C[6]H)(H)3	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(C[6]N[5,6,6]C[6]H)(H)3	H(C[6]N[5,6,6]C[6]C)	105.2337	1.008	3	105.2337	1.016	3	105.2337	1.016	3	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]N[5,6]C[6]H)(H)3	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(C[6]N[5,6]C[6]H)(H)3	H(C[6]N[5,6]C[6]C)	107.5610	0.000	1	107.5610	0.000	1	109.5915	3.109	8	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]N[5,6]C[6]H)(H)3	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(C[6]N[5,6]C[6]H)(H)3	H(C[6]N[5,6]C[6]C)	108.8092	0.360	4	108.8092	0.129	4	109.5915	3.109	8	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]N[5,6]C[6]H)(H)3	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(C[6]N[5,6]C[6]H)(H)3	H(C[6]N[5,6]C[6]C)	113.2970	0.000	1	113.2970	0.000	1	109.5915	3.109	8	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]N[5,6]C[6]H)(H)3	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(C[6]N[5,6]C[6]H)(H)3	H(C[6]N[5,6]C[6]C)	110.4000	0.000	1	110.3185	0.013	2	109.5915	3.109	8	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]N[5,6]C[6]H)(H)3	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(C[6]N[5,6]C[6]H)(H)3	H(C[6]N[5,6]C[6]C)	110.2370	0.000	1	110.3185	0.013	2	109.5915	3.109	8	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	N[5a,6]-3:C[5,6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]O[5]C)(CH3)(H)	C(C[6]N[5a,6]C[5,6]H)(H)3	H(C[6]N[5a,6]C[5,6]C)	C[6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]O[5]C)(CH3)(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C(C[6]N[5a,6]C[5,6]H)(H)3	H(C[6]N[5a,6]C[5,6]C)	108.8730	0.000	1	108.8730	0.000	1	108.7120	0.052	2	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	N[5a,6]-3:C[5,6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]O[5]H)(CH3)(H)	C(C[6]N[5a,6]C[5,6]H)(H)3	H(C[6]N[5a,6]C[5,6]C)	C[6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]O[5]H)(CH3)(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C(C[6]N[5a,6]C[5,6]H)(H)3	H(C[6]N[5a,6]C[5,6]C)	108.5510	0.000	1	108.5510	0.000	1	108.7120	0.052	2	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1: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(C[6]N[5a,6]C[6]H)(H)3	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(C[6]N[5a,6]C[6]H)(H)3	H(C[6]N[5a,6]C[6]C)	108.1610	0.000	1	108.1610	0.000	1	108.0842	0.319	6	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(CH3)(H)	C(C[6]N[5a,6]C[6]H)(H)3	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(C[6]N[5a,6]C[6]H)(H)3	H(C[6]N[5a,6]C[6]C)	108.2450	0.314	2	108.2450	0.099	2	108.0842	0.319	6	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]HO)(CH3)(H)	C(C[6]N[5a,6]C[6]H)(H)3	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(C[6]N[5a,6]C[6]H)(H)3	H(C[6]N[5a,6]C[6]C)	108.3620	0.611	2	108.3620	0.373	2	108.0842	0.319	6	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]CO)(CH3)(H)	C(C[6]N[5a,6]C[6]H)(H)3	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(C[6]N[5a,6]C[6]H)(H)3	H(C[6]N[5a,6]C[6]C)	107.1300	0.000	1	107.1300	0.000	1	108.0842	0.319	6	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(CH3)(H)	C(C[6]N[6,6]C[6]H)(H)3	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(C[6]N[6,6]C[6]H)(H)3	H(C[6]N[6,6]C[6]C)	107.2820	0.000	1	107.2820	0.000	1	106.6496	0.201	7	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]N[6,6]C[6]H)(H)3	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(C[6]N[6,6]C[6]H)(H)3	H(C[6]N[6,6]C[6]C)	107.0130	0.095	2	106.5442	0.147	6	106.6496	0.201	7	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]N[6,6]C[6]H)(H)3	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(C[6]N[6,6]C[6]H)(H)3	H(C[6]N[6,6]C[6]C)	106.2483	0.109	3	106.5442	0.147	6	106.6496	0.201	7	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]N[6,6]C[6]H)(H)3	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(C[6]N[6,6]C[6]H)(H)3	H(C[6]N[6,6]C[6]C)	106.4940	0.000	1	106.5442	0.147	6	106.6496	0.201	7	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	N[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]CH)(CH3)(H)	C(C[6]N[6,6a]C[6]H)(H)3	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(C[6]N[6,6a]C[6]H)(H)3	H(C[6]N[6,6a]C[6]C)	107.5910	0.000	1	107.5910	0.000	1	108.8338	1.198	13	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	N[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]N[6,6a]C[6]H)(H)3	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(C[6]N[6,6a]C[6]H)(H)3	H(C[6]N[6,6a]C[6]C)	108.9373	1.075	12	108.9373	1.155	12	108.8338	1.198	13	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:F-1:F-1:F-1:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]C[6]HN)(CF3)(H)	C(C[6]C[6]N[6]H)(F)3	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(C[6]C[6]N[6]H)(F)3	H(C[6]C[6]N[6]C)	108.1033	0.148	3	108.1033	0.022	3	108.1033	0.022	3	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](N[6]C[3x6]H)(C[6]O[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	109.5710	0.000	1	109.5710	0.000	1	108.1157	0.673	34	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](N[6]C[4]C[6])(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	107.5095	0.845	2	107.5095	0.714	2	108.1157	0.673	34	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](N[6]C[5,5,3x6]H)(C[6]C[6,6]CH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	106.5460	0.000	1	106.5460	0.000	1	108.1157	0.673	34	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	109.2440	0.000	1	109.2440	0.000	1	108.1157	0.673	34	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](N[6]C[5,6]S)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	106.9460	0.000	1	106.9460	0.000	1	108.1157	0.673	34	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]CH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	107.2950	0.000	1	107.2950	0.000	1	108.1157	0.673	34	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HO)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	107.7610	0.000	1	107.3290	0.373	2	108.1157	0.673	34	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HO)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	106.8970	0.000	1	107.3290	0.373	2	108.1157	0.673	34	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	108.3450	0.000	1	108.8092	0.620	5	108.1157	0.673	34	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	108.5210	0.000	1	108.8092	0.620	5	108.1157	0.673	34	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	109.0600	0.998	3	108.8092	0.620	5	108.1157	0.673	34	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	107.9570	0.000	1	108.1804	0.178	11	108.1157	0.673	34	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	108.2027	0.437	10	108.1804	0.178	11	108.1157	0.673	34	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	108.7410	0.000	1	108.9337	0.028	3	108.1157	0.673	34	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	109.0200	0.000	1	108.9337	0.028	3	108.1157	0.673	34	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	109.0400	0.000	1	108.9337	0.028	3	108.1157	0.673	34	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]P)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	107.9440	0.000	1	107.9440	0.000	1	108.1157	0.673	34	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]C[6]SiH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	108.0530	0.000	1	108.0530	0.000	1	108.1157	0.673	34	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]B[6])(C[6]C[6]CC)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	107.0325	0.053	2	107.0325	0.003	2	108.1157	0.673	34	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	107.8610	0.000	1	107.8610	0.000	1	108.1157	0.673	34	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]N[6])(C[6]C[6]HO)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	107.9000	0.000	1	107.9000	0.000	1	108.1157	0.673	34	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:1:1:1:	4:	S[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](S[6]C[6,6]O)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]S[6]H)(H)3	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(C[6]C[6]S[6]H)(H)3	H(C[6]C[6]S[6]C)	108.9600	0.000	1	108.9600	0.000	1	108.9600	0.000	1	107.6932	1.995	255	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:2:1:1:	4:	C[5a,6]-3:C[5,6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(CHHO)(H)	C(C[6]C[5a,6]C[5,6]H)(OC)(H)2	H(C[6]C[5a,6]C[5,6]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(CHHO)(H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C(C[6]C[5a,6]C[5,6]H)(OC)(H)2	H(C[6]C[5a,6]C[5,6]C)	108.7370	0.000	1	108.7370	0.000	1	108.7370	0.000	1	107.8840	3.020	62	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:2:1:1:	4:	C[5a,6]-3:C[6,6]-4:C-4:H-1:	C[6]-4:O-2:H-1: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(C[6]C[5a,6]C[6,6]H)(OH)(H)2	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(C[6]C[5a,6]C[6,6]H)(OH)(H)2	H(C[6]C[5a,6]C[6,6]C)	104.2180	0.000	1	104.2180	0.000	1	106.4106	2.770	5	107.8840	3.020	62	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:2:1:1:	4:	C[5a,6]-3:C[6,6]-4:C-4:H-1:	C[6]-4:O-2:H-1: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(C[6]C[5a,6]C[6,6]H)(OSi)(H)2	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(C[6]C[5a,6]C[6,6]H)(OSi)(H)2	H(C[6]C[5a,6]C[6,6]C)	105.8710	0.000	1	105.8710	0.000	1	106.4106	2.770	5	107.8840	3.020	62	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:2:1:1:	4:	C[5a,6]-3:C[6,6]-4:C-4:H-1:	C[6]-4:O-2:H-1: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(C[6]C[5a,6]C[6,6]H)(OH)(H)2	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(C[6]C[5a,6]C[6,6]H)(OH)(H)2	H(C[6]C[5a,6]C[6,6]C)	107.3213	1.321	3	107.3213	1.746	3	106.4106	2.770	5	107.8840	3.020	62	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:2:1:1:	4:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6,6a]N[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(CHHO)(H)	C(C[6]C[6,6a]C[5,6]H)(OH)(H)2	H(C[6]C[6,6a]C[5,6]C)	C[6](C[6,6a]N[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(CHHO)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6a]C[5,6]H)(OH)(H)2	H(C[6]C[6,6a]C[5,6]C)	106.9380	0.812	3	106.9380	0.659	3	106.9380	0.659	3	107.8840	3.020	62	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:2:1:1:	4:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	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(C[6]C[6,6a]C[6,6]H)(OC)(H)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(C[6]C[6,6a]C[6,6]H)(OC)(H)2	H(C[6]C[6,6a]C[6,6]C)	108.1970	0.000	1	108.1970	0.000	1	108.1970	0.000	1	107.8840	3.020	62	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:2:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-2: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(C[6]C[6,6a]C[6]H)(CN)(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(C[6]C[6,6a]C[6]H)(CN)(H)2	H(C[6]C[6,6a]C[6]C)	107.1457	0.652	3	107.1457	0.426	3	107.1457	0.426	3	107.8840	3.020	62	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2:H-1: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(C[6]C[6,6a]C[6]H)(OS)(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]N[6]H)(CHHO)(H){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	C(C[6]C[6,6a]C[6]H)(OS)(H)2	H(C[6]C[6,6a]C[6]C)	109.0450	0.000	1	109.0450	0.000	1	108.8247	7.160	8	107.8840	3.020	62	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHHO)(H)	C(C[6]C[6,6a]C[6]H)(OC)(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]CH)(CHHO)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]H)(OC)(H)2	H(C[6]C[6,6a]C[6]C)	107.9160	0.268	3	107.9160	0.072	3	108.8247	7.160	8	107.8840	3.020	62	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2: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(C[6]C[6,6a]C[6]H)(OC)(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(C[6]C[6,6a]C[6]H)(OC)(H)2	H(C[6]C[6,6a]C[6]C)	107.0810	0.000	1	107.0810	0.000	1	108.8247	7.160	8	107.8840	3.020	62	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CHHO)(H)	C(C[6]C[6,6a]C[6]H)(OC)(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]HO)(CHHO)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]H)(OC)(H)2	H(C[6]C[6,6a]C[6]C)	107.9310	0.000	1	107.9310	0.000	1	108.8247	7.160	8	107.8840	3.020	62	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2:H-1: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(C[6]C[6,6a]C[6]H)(OS)(H)2	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(C[6]C[6,6a]C[6]H)(OS)(H)2	H(C[6]C[6,6a]C[6]C)	111.3965	5.512	2	111.3965	30.381	2	108.8247	7.160	8	107.8840	3.020	62	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:2:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CHHO)(H)	C(C[6]C[6]2H)(OC)(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(C[6]C[6]2H)(OC)(H)2	H(C[6]C[6]2C)	108.0620	0.000	1	108.0620	0.000	1	109.1765	7.844	4	107.8840	3.020	62	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:2:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]N)(C[6]C[6]HH)(CHHO)(H)	C(C[6]C[6]2H)(OH)(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(C[6]C[6]2H)(OH)(H)2	H(C[6]C[6]2C)	113.1710	0.000	1	113.1710	0.000	1	109.1765	7.844	4	107.8840	3.020	62	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:2:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]N[6]HH)(CHHO)(H)	C(C[6]C[6]2H)(OH)(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(C[6]C[6]2H)(OH)(H)2	H(C[6]C[6]2C)	108.7820	0.000	1	108.7820	0.000	1	109.1765	7.844	4	107.8840	3.020	62	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:2:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CHHO)(H)	C(C[6]C[6]2H)(OH)(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(C[6]C[6]2H)(OH)(H)2	H(C[6]C[6]2C)	106.6910	0.000	1	106.6910	0.000	1	109.1765	7.844	4	107.8840	3.020	62	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:2:1:1:	4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-2: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(C[6]N[5,6]C[6]H)(CN)(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(C[6]N[5,6]C[6]H)(CN)(H)2	H(C[6]N[5,6]C[6]C)	107.4960	1.095	4	107.4960	1.198	4	107.8870	1.087	6	107.8840	3.020	62	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:2:1:1:	4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-2: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(C[6]N[5,6]C[6]H)(CN)(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(C[6]N[5,6]C[6]H)(CN)(H)2	H(C[6]N[5,6]C[6]C)	108.6060	0.000	1	108.6060	0.000	1	107.8870	1.087	6	107.8840	3.020	62	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:2:1:1:	4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-2: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(C[6]N[5,6]C[6]H)(CN)(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(C[6]N[5,6]C[6]H)(CN)(H)2	H(C[6]N[5,6]C[6]C)	108.7320	0.000	1	108.7320	0.000	1	107.8870	1.087	6	107.8840	3.020	62	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2: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(C[6]N[5,6]C[6]H)(OH)(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(C[6]N[5,6]C[6]H)(OH)(H)2	H(C[6]N[5,6]C[6]C)	107.2450	0.000	1	107.2450	0.000	1	107.5725	3.134	12	107.8840	3.020	62	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2: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(C[6]N[5,6]C[6]H)(OC)(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(C[6]N[5,6]C[6]H)(OC)(H)2	H(C[6]N[5,6]C[6]C)	109.1700	0.000	1	109.1700	0.000	1	107.5725	3.134	12	107.8840	3.020	62	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2: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(C[6]N[5,6]C[6]H)(OH)(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(C[6]N[5,6]C[6]H)(OH)(H)2	H(C[6]N[5,6]C[6]C)	108.4315	0.187	2	108.4315	0.035	2	107.5725	3.134	12	107.8840	3.020	62	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2: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(C[6]N[5,6]C[6]H)(OH)(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(C[6]N[5,6]C[6]H)(OH)(H)2	H(C[6]N[5,6]C[6]C)	108.2360	0.031	2	108.2360	0.001	2	107.5725	3.134	12	107.8840	3.020	62	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2: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(C[6]N[5,6]C[6]H)(OH)(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(C[6]N[5,6]C[6]H)(OH)(H)2	H(C[6]N[5,6]C[6]C)	108.2040	0.000	1	107.6570	0.381	4	107.5725	3.134	12	107.8840	3.020	62	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2: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(C[6]N[5,6]C[6]H)(OH)(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(C[6]N[5,6]C[6]H)(OH)(H)2	H(C[6]N[5,6]C[6]C)	107.4747	0.609	3	107.6570	0.381	4	107.5725	3.134	12	107.8840	3.020	62	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2: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(C[6]N[5,6]C[6]H)(OH)(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(C[6]N[5,6]C[6]H)(OH)(H)2	H(C[6]N[5,6]C[6]C)	108.1980	0.000	1	108.1980	0.000	1	107.5725	3.134	12	107.8840	3.020	62	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(CHHO)(H)	C(C[6]N[5,6]C[6]H)(OH)(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]HO)(CHHO)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C(C[6]N[5,6]C[6]H)(OH)(H)2	H(C[6]N[5,6]C[6]C)	102.2940	0.000	1	102.2940	0.000	1	107.5725	3.134	12	107.8840	3.020	62	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2: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(C[6]N[6,6]C[6]H)(OH)(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(C[6]N[6,6]C[6]H)(OH)(H)2	H(C[6]N[6,6]C[6]C)	107.9840	0.000	1	107.9840	0.000	1	107.8406	1.846	14	107.8840	3.020	62	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2: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(C[6]N[6,6]C[6]H)(OC)(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(C[6]N[6,6]C[6]H)(OC)(H)2	H(C[6]N[6,6]C[6]C)	109.1340	0.000	1	109.1340	0.000	1	107.8406	1.846	14	107.8840	3.020	62	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2: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(C[6]N[6,6]C[6]H)(OH)(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(C[6]N[6,6]C[6]H)(OH)(H)2	H(C[6]N[6,6]C[6]C)	106.9847	1.662	3	107.3463	1.341	7	107.8406	1.846	14	107.8840	3.020	62	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2: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(C[6]N[6,6]C[6]H)(OH)(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(C[6]N[6,6]C[6]H)(OH)(H)2	H(C[6]N[6,6]C[6]C)	107.6175	0.782	4	107.3463	1.341	7	107.8406	1.846	14	107.8840	3.020	62	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2: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(C[6]N[6,6]C[6]H)(OH)(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(C[6]N[6,6]C[6]H)(OH)(H)2	H(C[6]N[6,6]C[6]C)	107.8360	0.000	1	107.8360	0.000	1	107.8406	1.846	14	107.8840	3.020	62	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2: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(C[6]N[6,6]C[6]H)(OC)(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(C[6]N[6,6]C[6]H)(OC)(H)2	H(C[6]N[6,6]C[6]C)	105.4130	0.000	1	105.4130	0.000	1	107.8406	1.846	14	107.8840	3.020	62	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CHHO)(H)	C(C[6]N[6,6]C[6]H)(OC)(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]HO)(CHHO)(H){1|O<2>,3|C<4>,4|H<1>}	C(C[6]N[6,6]C[6]H)(OC)(H)2	H(C[6]N[6,6]C[6]C)	109.3260	0.124	3	109.3260	0.015	3	107.8406	1.846	14	107.8840	3.020	62	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:2:1:1:	4:	N[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6]-4:O-2:H-1: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(C[6]N[6,6a]C[6,6]H)(OC)(H)2	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(C[6]N[6,6a]C[6,6]H)(OC)(H)2	H(C[6]N[6,6a]C[6,6]C)	108.3990	0.000	1	108.3990	0.000	1	108.3990	0.000	1	107.8840	3.020	62	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:2:1:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:S-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CHHS)(H)	C(C[6]C[6]N[6]H)(SC[6a])(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(C[6]C[6]N[6]H)(SC[6a])(H)2	H(C[6]C[6]N[6]C)	108.4768	0.520	4	108.4768	0.270	4	108.4768	0.270	4	107.8840	3.020	62	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:2:4:4:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:O-2:C-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]O[6]HH)(CCCO)(H)	C(C[6]C[6]N[6]H)(OC[6a])(CH3)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(C[6]C[6]N[6]H)(OC[6a])(CH3)2	H(C[6]C[6]N[6]C)	106.5020	0.000	1	106.5020	0.000	1	106.5020	0.000	1	106.5020	0.000	1	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:3:1:1:	4:	C[5a,6]-3:C[5,6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6a]C[5]C[6])(CCHH)(H)	C(C[6]C[5a,6]C[5,6]H)(CCH)(H)2	H(C[6]C[5a,6]C[5,6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6a]C[5]C[6])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,2|N<3>,5|C<3>}	C(C[6]C[5a,6]C[5,6]H)(CCH)(H)2	H(C[6]C[5a,6]C[5,6]C)	107.2265	0.383	4	107.2265	0.147	4	107.2265	0.147	4	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3: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(C[6]C[5a,6]C[6]H)(CC[6a]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)(CCHH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C(C[6]C[5a,6]C[6]H)(CC[6a]O)(H)2	H(C[6]C[5a,6]C[6]C)	108.4690	0.000	1	108.4690	0.000	1	107.9540	0.530	2	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3: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(C[6]C[5a,6]C[6]H)(CHO)(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(C[6]C[5a,6]C[6]H)(CHO)(H)2	H(C[6]C[5a,6]C[6]C)	107.4390	0.000	1	107.4390	0.000	1	107.9540	0.530	2	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(CHHN)(H)	C(C[6]C[5a,6]C[6]H)(NOO)(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]CC)(CHHN)(H){2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5a,6]C[6]H)(NOO)(H)2	H(C[6]C[5a,6]C[6]C)	108.5980	0.000	1	108.5980	0.000	1	108.4068	4.834	4	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]CH)(CHHN)(H)	C(C[6]C[5a,6]C[6]H)(NOO)(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]CH)(CHHN)(H){1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[5a,6]C[6]H)(NOO)(H)2	H(C[6]C[5a,6]C[6]C)	110.3460	0.000	1	110.3460	0.000	1	108.4068	4.834	4	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3: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(C[6]C[5a,6]C[6]H)(NCC)(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(C[6]C[5a,6]C[6]H)(NCC)(H)2	H(C[6]C[5a,6]C[6]C)	105.2880	0.000	1	105.2880	0.000	1	108.4068	4.834	4	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-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(C[6]C[5a,6]C[6]H)(NHS)(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(C[6]C[5a,6]C[6]H)(NHS)(H)2	H(C[6]C[5a,6]C[6]C)	109.3950	0.000	1	109.3950	0.000	1	108.4068	4.834	4	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CCO)(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]CO)(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[6,6]C[6]H)(CCO)(H)2	H(C[6]C[6,6]C[6]C)	106.4160	0.000	1	106.4160	0.000	1	106.4160	0.000	1	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[5,6]C[5,6a]C[5,6]H)(CCHH)(H)	C(C[6]C[6,6a]C[5,6]H)(COO)(H)2	H(C[6]C[6,6a]C[5,6]C)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[5,6]C[5,6a]C[5,6]H)(CCHH)(H){1|N<3>,2|H<1>,5|C<3>}	C(C[6]C[6,6a]C[5,6]H)(COO)(H)2	H(C[6]C[6,6a]C[5,6]C)	105.8430	0.000	1	105.8430	0.000	1	107.5124	0.772	8	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(CCHH)(H)	C(C[6]C[6,6a]C[5,6]H)(CC[6a]O)(H)2	H(C[6]C[6,6a]C[5,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(CCHH)(H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C(C[6]C[6,6a]C[5,6]H)(CC[6a]O)(H)2	H(C[6]C[6,6a]C[5,6]C)	107.6163	0.742	3	107.6163	0.550	3	107.5124	0.772	8	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCHH)(H)	C(C[6]C[6,6a]C[5,6]H)(CC[6a]O)(H)2	H(C[6]C[6,6a]C[5,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCHH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[5,6]H)(CC[6a]O)(H)2	H(C[6]C[6,6a]C[5,6]C)	107.1760	0.000	1	107.1760	0.000	1	107.5124	0.772	8	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]N)(CCHH)(H)	C(C[6]C[6,6a]C[5,6]H)(CC[6a]O)(H)2	H(C[6]C[6,6a]C[5,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]N)(CCHH)(H){1|N<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]C[5,6]H)(CC[6a]O)(H)2	H(C[6]C[6,6a]C[5,6]C)	107.6840	0.000	1	107.6840	0.000	1	107.5124	0.772	8	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2O[6])(CCHH)(H)	C(C[6]C[6,6a]C[5,6]H)(CC[6a]O)(H)2	H(C[6]C[6,6a]C[5,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2O[6])(CCHH)(H){1|O<1>,3|H<1>,5|C<3>}	C(C[6]C[6,6a]C[5,6]H)(CC[6a]O)(H)2	H(C[6]C[6,6a]C[5,6]C)	108.2735	0.424	2	108.2735	0.179	2	107.5124	0.772	8	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(CC[6a]HH)(H)	C(C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6,6a]C[5,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(CC[6a]HH)(H){2|C<3>,3|H<1>,4|C<4>}	C(C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6,6a]C[5,6]C)	107.2975	0.050	2	107.2975	0.003	2	107.2975	0.003	2	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CHHN)(H)	C(C[6]C[6,6a]C[5,6]H)(NOO)(H)2	H(C[6]C[6,6a]C[5,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CHHN)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[5,6]H)(NOO)(H)2	H(C[6]C[6,6a]C[5,6]C)	107.5600	0.000	1	108.2420	0.930	2	108.2420	0.930	2	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CHHN)(H)	C(C[6]C[6,6a]C[5,6]H)(NOO)(H)2	H(C[6]C[6,6a]C[5,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CHHN)(H){1|O<2>,2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C(C[6]C[6,6a]C[5,6]H)(NOO)(H)2	H(C[6]C[6,6a]C[5,6]C)	108.9240	0.000	1	108.2420	0.930	2	108.2420	0.930	2	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6]-4:N-3:H-1: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(C[6]C[6,6a]C[6,6]H)(NOO)(H)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[6,6]C[6]H)(CHHN)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C(C[6]C[6,6a]C[6,6]H)(NOO)(H)2	H(C[6]C[6,6a]C[6,6]C)	108.2800	0.000	1	108.0730	0.086	2	107.1303	3.192	4	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6]-4:N-3:H-1: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(C[6]C[6,6a]C[6,6]H)(NOO)(H)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[6,6]C[6]H)(CHHN)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6a]C[6,6]H)(NOO)(H)2	H(C[6]C[6,6a]C[6,6]C)	107.8660	0.000	1	108.0730	0.086	2	107.1303	3.192	4	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CHHN)(H)	C(C[6]C[6,6a]C[6,6]H)(NOO)(H)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)(CHHN)(H){1|C<4>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6,6]H)(NOO)(H)2	H(C[6]C[6,6a]C[6,6]C)	106.1875	2.436	2	106.1875	5.934	2	107.1303	3.192	4	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CC[6a]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[5,6]CH)(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	H(C[6]C[6,6a]C[6]C)	107.0710	0.000	1	107.0710	0.000	1	108.0146	1.359	43	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3:H-1: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(C[6]C[6,6a]C[6]H)(COO)(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]C[6]H)(CCHH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(COO)(H)2	H(C[6]C[6,6a]C[6]C)	107.7266	1.721	5	107.7266	2.962	5	108.0146	1.359	43	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CH)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CC[6a]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[5a,6]CH)(CCHH)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	H(C[6]C[6,6a]C[6]C)	107.4080	0.000	1	107.4080	0.000	1	108.0146	1.359	43	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3: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(C[6]C[6,6a]C[6]H)(CHN)(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(C[6]C[6,6a]C[6]H)(CHN)(H)2	H(C[6]C[6,6a]C[6]C)	108.0740	0.045	2	108.0740	0.002	2	108.0146	1.359	43	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(COO)(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]2H)(CCHH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C(C[6]C[6,6a]C[6]H)(COO)(H)2	H(C[6]C[6,6a]C[6]C)	108.4170	1.761	3	108.7682	1.427	6	108.0146	1.359	43	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(COO)(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]2H)(CCHH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(COO)(H)2	H(C[6]C[6,6a]C[6]C)	109.1193	0.310	3	108.7682	1.427	6	108.0146	1.359	43	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CCH)(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]CH)(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(CCH)(H)2	H(C[6]C[6,6a]C[6]C)	108.8000	0.000	1	108.8000	0.000	1	108.0146	1.359	43	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(COO)(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]CH)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(COO)(H)2	H(C[6]C[6,6a]C[6]C)	108.7490	0.000	1	109.0817	0.115	3	108.0146	1.359	43	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(COO)(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]CH)(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(COO)(H)2	H(C[6]C[6,6a]C[6]C)	109.2480	0.253	2	109.0817	0.115	3	108.0146	1.359	43	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CC[6a]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]CN)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	H(C[6]C[6,6a]C[6]C)	107.1950	0.000	1	107.1950	0.000	1	108.0146	1.359	43	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CS)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(COO)(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]CS)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(COO)(H)2	H(C[6]C[6,6a]C[6]C)	104.3590	0.000	1	104.3590	0.000	1	108.0146	1.359	43	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-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(C[6]C[6,6a]C[6]H)(CC[6a]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(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	H(C[6]C[6,6a]C[6]C)	107.3990	0.000	1	107.7790	0.289	2	108.0146	1.359	43	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-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(C[6]C[6,6a]C[6]H)(CC[6a]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|N<3>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	H(C[6]C[6,6a]C[6]C)	108.1590	0.000	1	107.7790	0.289	2	108.0146	1.359	43	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-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(C[6]C[6,6a]C[6]H)(COO)(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(C[6]C[6,6a]C[6]H)(COO)(H)2	H(C[6]C[6,6a]C[6]C)	108.3800	0.000	1	108.3800	0.000	1	108.0146	1.359	43	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CC[6a]C[5])(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]HN)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(CC[6a]C[5])(H)2	H(C[6]C[6,6a]C[6]C)	107.8990	0.000	1	107.8990	0.000	1	108.0146	1.359	43	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CC[6a]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]HN)(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	H(C[6]C[6,6a]C[6]C)	106.1790	0.000	1	107.4121	0.781	8	108.0146	1.359	43	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CC[6a]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]HN)(CCHH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	H(C[6]C[6,6a]C[6]C)	107.7370	0.928	3	107.4121	0.781	8	108.0146	1.359	43	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CC[6a]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]HN)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	H(C[6]C[6,6a]C[6]C)	107.4067	0.958	3	107.4121	0.781	8	108.0146	1.359	43	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CC[6a]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]HN)(CCHH)(H){1|O<2>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	H(C[6]C[6,6a]C[6]C)	107.6870	0.000	1	107.4121	0.781	8	108.0146	1.359	43	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CNO)(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]HN)(CCHH)(H){1|O<2>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(CNO)(H)2	H(C[6]C[6,6a]C[6]C)	108.4460	0.000	1	108.4460	0.000	1	108.0146	1.359	43	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(COO)(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]HN)(CCHH)(H){1|S<2>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(COO)(H)2	H(C[6]C[6,6a]C[6]C)	108.2750	0.000	1	108.2750	0.000	1	108.0146	1.359	43	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(COO)(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]HS)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(COO)(H)2	H(C[6]C[6,6a]C[6]C)	109.0140	0.177	2	109.0140	0.031	2	108.0146	1.359	43	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CC[6a]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[6a]O[6]C)(CCHH)(H){1|C<4>,1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	H(C[6]C[6,6a]C[6]C)	109.5290	0.000	1	109.5290	0.000	1	108.0146	1.359	43	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-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(C[6]C[6,6a]C[6]H)(CC[6a]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)(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	H(C[6]C[6,6a]C[6]C)	108.4920	0.000	1	108.4920	0.000	1	108.0146	1.359	43	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-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(C[6]C[6,6a]C[6]H)(CCO)(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(C[6]C[6,6a]C[6]H)(CCO)(H)2	H(C[6]C[6,6a]C[6]C)	107.1000	0.000	1	107.1000	0.000	1	108.0146	1.359	43	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-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(C[6]C[6,6a]C[6]H)(CC[6a]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>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	H(C[6]C[6,6a]C[6]C)	108.0520	0.265	3	108.0520	0.070	3	108.0146	1.359	43	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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[6a]-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(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(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(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6,6a]C[6]C)	108.1100	0.000	1	108.1100	0.000	1	108.1100	0.000	1	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3: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(C[6]C[6,6a]C[6]H)(NOO)(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(C[6]C[6,6a]C[6]H)(NOO)(H)2	H(C[6]C[6,6a]C[6]C)	108.8220	0.000	1	108.8220	0.000	1	107.5655	1.337	17	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CHHN)(H)	C(C[6]C[6,6a]C[6]H)(NOO)(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]CC)(CHHN)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(NOO)(H)2	H(C[6]C[6,6a]C[6]C)	106.4390	0.000	1	106.4390	0.000	1	107.5655	1.337	17	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHHN)(H)	C(C[6]C[6,6a]C[6]H)(NOO)(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]CH)(CHHN)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(NOO)(H)2	H(C[6]C[6,6a]C[6]C)	108.7520	0.222	2	106.9682	2.667	5	107.5655	1.337	17	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHHN)(H)	C(C[6]C[6,6a]C[6]H)(NOO)(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]CH)(CHHN)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(NOO)(H)2	H(C[6]C[6,6a]C[6]C)	105.7790	0.076	3	106.9682	2.667	5	107.5655	1.337	17	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CHHN)(H)	C(C[6]C[6,6a]C[6]H)(NOO)(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]CN)(CHHN)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(NOO)(H)2	H(C[6]C[6,6a]C[6]C)	107.1825	0.893	2	107.1825	0.798	2	107.5655	1.337	17	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3: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(C[6]C[6,6a]C[6]H)(NHS)(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(C[6]C[6,6a]C[6]H)(NHS)(H)2	H(C[6]C[6,6a]C[6]C)	107.9370	0.000	1	107.9370	0.000	1	107.5655	1.337	17	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3: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(C[6]C[6,6a]C[6]H)(NOO)(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(C[6]C[6,6a]C[6]H)(NOO)(H)2	H(C[6]C[6,6a]C[6]C)	107.8690	0.000	1	108.2818	0.205	5	107.5655	1.337	17	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3: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(C[6]C[6,6a]C[6]H)(NOO)(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(C[6]C[6,6a]C[6]H)(NOO)(H)2	H(C[6]C[6,6a]C[6]C)	108.4185	0.769	2	108.2818	0.205	5	107.5655	1.337	17	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3: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(C[6]C[6,6a]C[6]H)(NOO)(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(C[6]C[6,6a]C[6]H)(NOO)(H)2	H(C[6]C[6,6a]C[6]C)	108.4220	0.000	1	108.2818	0.205	5	107.5655	1.337	17	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3: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(C[6]C[6,6a]C[6]H)(NOO)(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(C[6]C[6,6a]C[6]H)(NOO)(H)2	H(C[6]C[6,6a]C[6]C)	108.2810	0.000	1	108.2818	0.205	5	107.5655	1.337	17	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3:H-1: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(C[6]C[6,6a]C[6]H)(NOO)(H)2	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(C[6]C[6,6a]C[6]H)(NOO)(H)2	H(C[6]C[6,6a]C[6]C)	106.5560	0.000	1	106.5560	0.000	1	107.5655	1.337	17	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3: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(C[6]C[6,6a]C[6]H)(NOO)(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(C[6]C[6,6a]C[6]H)(NOO)(H)2	H(C[6]C[6,6a]C[6]C)	108.2440	0.000	1	108.2440	0.000	1	107.5655	1.337	17	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:3:1:1:	4:	C[6,6a]-3:N[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CC)(CC[6a]HH)(H)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CC)(CC[6a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6,6a]N[6]C)	107.5210	0.107	2	107.5210	0.012	2	107.5210	0.012	2	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:3:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6]2H)(COO)(H)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(C[6]C[6]2H)(COO)(H)2	H(C[6]C[6]2C)	106.8550	0.000	1	106.8550	0.000	1	107.8862	4.472	13	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:3:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6])(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6]2H)(CCH)(H)2	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(C[6]C[6]2H)(CCH)(H)2	H(C[6]C[6]2C)	107.3660	0.000	1	107.3660	0.000	1	107.8862	4.472	13	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:3:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(COO)(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(C[6]C[6]2H)(COO)(H)2	H(C[6]C[6]2C)	112.2340	2.144	2	112.2340	4.597	2	107.8862	4.472	13	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:3:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6]2H)(COO)(H)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(C[6]C[6]2H)(COO)(H)2	H(C[6]C[6]2C)	107.1970	0.000	1	107.1970	0.000	1	107.8862	4.472	13	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:3:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6]2H)(CCO)(H)2	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(C[6]C[6]2H)(CCO)(H)2	H(C[6]C[6]2C)	107.0230	0.000	1	107.0230	0.000	1	107.8862	4.472	13	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:3:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(COO)(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(C[6]C[6]2H)(COO)(H)2	H(C[6]C[6]2C)	107.4460	0.000	1	107.4460	0.000	1	107.8862	4.472	13	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:3:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CCHH)(H)	C(C[6]C[6]2H)(COO)(H)2	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(C[6]C[6]2H)(COO)(H)2	H(C[6]C[6]2C)	108.4850	0.000	1	108.4850	0.000	1	107.8862	4.472	13	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:3:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CNO)(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(C[6]C[6]2H)(CNO)(H)2	H(C[6]C[6]2C)	106.8623	0.471	3	106.8623	0.222	3	107.8862	4.472	13	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:3:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(COO)(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(C[6]C[6]2H)(COO)(H)2	H(C[6]C[6]2C)	106.5465	0.986	2	106.5465	0.973	2	107.8862	4.472	13	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:3:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CHHN)(H)	C(C[6]C[6]2H)(NHS)(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(C[6]C[6]2H)(NHS)(H)2	H(C[6]C[6]2C)	108.2800	0.000	1	108.2800	0.000	1	108.2800	0.000	1	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:3:1:1:	4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3: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(C[6]N[5,6]C[6]H)(CC[6a]O)(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(C[6]N[5,6]C[6]H)(CC[6a]O)(H)2	H(C[6]N[5,6]C[6]C)	107.2190	0.000	1	107.2190	0.000	1	107.2190	0.000	1	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:3:1:1:	4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3: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(C[6]N[5,6]C[6]H)(C[6a]C[6a]2)(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(C[6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)2	H(C[6]N[5,6]C[6]C)	107.6890	0.000	1	107.6890	0.000	1	107.6890	0.000	1	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:3:1:1:	4:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HO)(CCHH)(H)	C(C[6]N[5a,6]C[6]H)(COO)(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]HO)(CCHH)(H){1|Br<1>,1|H<1>,3|C<3>}	C(C[6]N[5a,6]C[6]H)(COO)(H)2	H(C[6]N[5a,6]C[6]C)	108.4160	0.000	1	108.7323	0.096	3	108.6780	0.069	5	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:3:1:1:	4:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HO)(CCHH)(H)	C(C[6]N[5a,6]C[6]H)(COO)(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]HO)(CCHH)(H){2|H<1>,3|C<3>}	C(C[6]N[5a,6]C[6]H)(COO)(H)2	H(C[6]N[5a,6]C[6]C)	108.8905	0.203	2	108.7323	0.096	3	108.6780	0.069	5	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:3:1:1:	4:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HO)(CCHH)(H)	C(C[6]N[5a,6]C[6]H)(COS)(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]HO)(CCHH)(H){1|Br<1>,1|H<1>,3|C<3>}	C(C[6]N[5a,6]C[6]H)(COS)(H)2	H(C[6]N[5a,6]C[6]C)	108.7760	0.000	1	108.7760	0.000	1	108.6780	0.069	5	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:3:1:1:	4:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3: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(C[6]N[5a,6]C[6]H)(COO)(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(C[6]N[5a,6]C[6]H)(COO)(H)2	H(C[6]N[5a,6]C[6]C)	108.4170	0.000	1	108.4170	0.000	1	108.6780	0.069	5	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:3:1:1:	4:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[5a]-3:H-1: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(C[6]N[5a,6]C[6]H)(C[5a]C[5a]N[5a])(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]HO)(CC[5a]HH)(H){1|Br<1>,1|H<1>,3|C<3>}	C(C[6]N[5a,6]C[6]H)(C[5a]C[5a]N[5a])(H)2	H(C[6]N[5a,6]C[6]C)	109.6430	0.000	1	109.6430	0.000	1	109.6430	0.000	1	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:3:1:1:	4:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3: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(C[6]N[6,6]C[6]H)(CC[6a]O)(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(C[6]N[6,6]C[6]H)(CC[6a]O)(H)2	H(C[6]N[6,6]C[6]C)	107.9535	0.056	2	107.9535	0.003	2	107.9535	0.003	2	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:3:1:1:	4:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3: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(C[6]N[6,6]C[6]H)(C[6a]C[6a]2)(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(C[6]N[6,6]C[6]H)(C[6a]C[6a]2)(H)2	H(C[6]N[6,6]C[6]C)	108.9995	0.073	2	108.9995	0.005	2	108.0446	0.791	5	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:3:1:1:	4:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3: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(C[6]N[6,6]C[6]H)(C[6a]C[6a]2)(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(C[6]N[6,6]C[6]H)(C[6a]C[6a]2)(H)2	H(C[6]N[6,6]C[6]C)	107.4135	0.344	2	107.4080	0.059	3	108.0446	0.791	5	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:3:1:1:	4:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3: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(C[6]N[6,6]C[6]H)(C[6a]C[6a]2)(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(C[6]N[6,6]C[6]H)(C[6a]C[6a]2)(H)2	H(C[6]N[6,6]C[6]C)	107.3970	0.000	1	107.4080	0.059	3	108.0446	0.791	5	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:3:1:1:	4:	N[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3: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(C[6]N[6,6a]C[6]H)(COO)(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(C[6]N[6,6a]C[6]H)(COO)(H)2	H(C[6]N[6,6a]C[6]C)	107.6990	0.000	1	107.6990	0.000	1	107.6990	0.000	1	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:3:1:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCO)(H)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(C[6]C[6]N[6]H)(CCO)(H)2	H(C[6]C[6]N[6]C)	109.0250	0.000	1	109.0250	0.000	1	109.1710	0.010	4	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:3:1:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]O[6]CC)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCO)(H)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(C[6]C[6]N[6]H)(CCO)(H)2	H(C[6]C[6]N[6]C)	109.2390	0.000	1	109.2390	0.000	1	109.1710	0.010	4	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:3:1:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(CCHH)(H)	C(C[6]C[6]N[6]H)(COO)(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(C[6]C[6]N[6]H)(COO)(H)2	H(C[6]C[6]N[6]C)	109.2100	0.000	2	109.2100	0.000	2	109.1710	0.010	4	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:3:1:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3: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(C[6]C[6]N[6]H)(C[6a]C[6a]2)(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(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	108.5930	0.000	1	108.5930	0.000	1	107.9263	0.349	3	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:3:1:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3: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(C[6]C[6]N[6]H)(C[6a]C[6a]2)(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(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	107.5930	0.177	2	107.5930	0.031	2	107.9263	0.349	3	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:3:1:1:	4:	S[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3: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(C[6]C[6]S[6]H)(C[6a]C[6a]2)(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(C[6]C[6]S[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]S[6]C)	108.0295	0.457	2	108.0295	0.209	2	108.0295	0.209	2	107.9073	1.513	129	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:3:2:1:	4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:O-2:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(CCHO)(H)	C(C[6]C[5a,6]C[6]H)(COO)(OH)(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]HH)(CCHO)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[5a,6]C[6]H)(COO)(OH)(H)	H(C[6]C[5a,6]C[6]C)	107.9580	0.000	1	107.9580	0.000	1	107.9580	0.000	1	106.9930	2.183	5	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:3:2:1:	4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:O-2: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(C[6]C[5a,6]C[6]H)(C[6a]C[6a]2)(OH)(H)	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(C[6]C[5a,6]C[6]H)(C[6a]C[6a]2)(OH)(H)	H(C[6]C[5a,6]C[6]C)	107.4390	0.000	1	107.4390	0.000	1	107.4390	0.000	1	106.9930	2.183	5	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3:O-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHO)(H)	C(C[6]C[6,6a]C[6]H)(CCH)(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]HH)(CCHO)(H){3|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]H)(CCH)(OH)(H)	H(C[6]C[6,6a]C[6]C)	107.7660	0.000	1	107.7660	0.000	1	107.7660	0.000	1	106.9930	2.183	5	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:3:2:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCHO)(H)	C(C[6]C[6]2H)(COO)(OSi)(H)	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(C[6]C[6]2H)(COO)(OSi)(H)	H(C[6]C[6]2C)	107.4210	0.000	1	107.4210	0.000	1	105.9010	4.621	2	106.9930	2.183	5	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:3:2:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CCHO)(H)	C(C[6]C[6]2H)(CCC)(OH)(H)	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(C[6]C[6]2H)(CCC)(OH)(H)	H(C[6]C[6]2C)	104.3810	0.000	1	104.3810	0.000	1	105.9010	4.621	2	106.9930	2.183	5	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:3:3:1:	4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:C-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(CCCH)(H)	C(C[6]C[5a,6]C[6]H)(COO)2(H)	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(C[6]C[5a,6]C[6]H)(COO)2(H)	H(C[6]C[5a,6]C[6]C)	108.3560	0.000	1	108.3560	0.000	1	107.5575	1.275	2	108.3145	0.396	12	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:3:3:1:	4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:C-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(CCCH)(H)	C(C[6]C[5a,6]C[6]H)(COO)2(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(C[6]C[5a,6]C[6]H)(COO)2(H)	H(C[6]C[5a,6]C[6]C)	106.7590	0.000	1	106.7590	0.000	1	107.5575	1.275	2	108.3145	0.396	12	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3:C-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(C[6]C[6,6a]C[6]H)(COO)2(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(C[6]C[6,6a]C[6]H)(COO)2(H)	H(C[6]C[6,6a]C[6]C)	108.3640	0.000	1	108.3640	0.000	1	108.2890	0.111	5	108.3145	0.396	12	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(CCCH)(H)	C(C[6]C[6,6a]C[6]H)(CCH)(COO)(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]HH)(CCCH)(H){2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(CCH)(COO)(H)	H(C[6]C[6,6a]C[6]C)	108.1980	0.000	1	108.1980	0.000	1	108.2890	0.111	5	108.3145	0.396	12	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3: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(C[6]C[6,6a]C[6]H)(COO)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]CH)(CCCH)(H){1|N<3>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]H)(COO)2(H)	H(C[6]C[6,6a]C[6]C)	108.0530	0.000	1	108.0275	0.001	2	108.2890	0.111	5	108.3145	0.396	12	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3: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(C[6]C[6,6a]C[6]H)(COO)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]CH)(CCCH)(H){1|O<2>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]H)(COO)2(H)	H(C[6]C[6,6a]C[6]C)	108.0020	0.000	1	108.0275	0.001	2	108.2890	0.111	5	108.3145	0.396	12	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6,6a]C[6]H)(CCH)(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]HH)(CCCH)(H){1|H<1>,1|O<2>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(CCH)(COO)(H)	H(C[6]C[6,6a]C[6]C)	108.8280	0.000	1	108.8280	0.000	1	108.2890	0.111	5	108.3145	0.396	12	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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: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(C[6]C[6,6a]C[6]H)(C[6]C[6]2)(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(C[6]C[6,6a]C[6]H)(C[6]C[6]2)(NOO)(H)	H(C[6]C[6,6a]C[6]C)	108.9320	0.000	1	108.9320	0.000	1	108.9320	0.000	1	108.3145	0.396	12	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:3:3:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]2H)(CCH)2(H)	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(C[6]C[6]2H)(CCH)2(H)	H(C[6]C[6]2C)	108.1145	0.094	2	108.1145	0.009	2	108.1145	0.009	2	108.3145	0.396	12	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:3:3:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:H-1:	C[6]-4:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CC[6a]2H)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(H)	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(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(H)	H(C[6]C[6]N[6]C)	109.0860	0.000	1	109.0265	0.007	2	109.0265	0.007	2	108.3145	0.396	12	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:3:3:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:H-1:	C[6]-4:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CC[6a]2H)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(H)	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(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(H)	H(C[6]C[6]N[6]C)	108.9670	0.000	1	109.0265	0.007	2	109.0265	0.007	2	108.3145	0.396	12	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:3:3:2:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]2O)(H)	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)2(OSi)	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(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)2(OSi)	H(C[6]C[6,6a]C[6]C)	107.4390	0.000	1	107.4390	0.000	1	107.6387	0.248	3	107.5085	0.233	4	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:3:3:2:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2O)(H)	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)2(OH)	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(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)2(OH)	H(C[6]C[6,6a]C[6]C)	107.2710	0.000	1	107.2710	0.000	1	107.6387	0.248	3	107.5085	0.233	4	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:3:3:2:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2O)(H)	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)2(OSi)	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(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)2(OSi)	H(C[6]C[6,6a]C[6]C)	108.2060	0.000	1	108.2060	0.000	1	107.6387	0.248	3	107.5085	0.233	4	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:3:3:2:	4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CC[6a]2O)(H)	C(C[6]N[5,6]C[6]H)(C[6a]C[6a]2)2(OSi)	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(C[6]N[5,6]C[6]H)(C[6a]C[6a]2)2(OSi)	H(C[6]N[5,6]C[6]C)	107.1180	0.000	1	107.1180	0.000	1	107.1180	0.000	1	107.5085	0.233	4	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:3:4:1:	4:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:C-4: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(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(CCHH)(H)	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(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(CCHH)(H)	H(C[6]C[5,6]C[6]C)	106.3950	0.305	2	106.3950	0.093	2	106.3950	0.093	2	105.9498	0.894	5	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4: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(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(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]HN)(CC[6a]CH)(H){1|O<2>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(CCHH)(H)	H(C[6]C[6,6a]C[6]C)	106.4810	0.000	1	106.4810	0.000	1	106.4810	0.000	1	105.9498	0.894	5	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:3:4:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]CH)(H)	C(CC[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]2H)(H)	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(CC[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]2H)(H)	H(C[6]C[6]2C)	105.2390	1.339	2	105.2390	1.794	2	105.2390	1.794	2	105.9498	0.894	5	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:3:4:2:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:C-4:C-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]CC)(H)	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(CCHH)(CN)	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(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(CCHH)(CN)	H(C[6]C[6,6a]C[6]C)	103.1450	0.582	4	103.1450	0.339	4	103.1450	0.339	4	103.1450	0.339	4	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:3:4:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:N-3: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(C[6]C[6,6a]C[6]H)(NC[6a]H)(CH3)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]CC)(CCCN)(H){1|H<1>,1|N<3>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(NC[6a]H)(CH3)2	H(C[6]C[6,6a]C[6]C)	105.9170	0.000	1	105.9170	0.000	1	105.9170	0.000	1	105.9170	0.000	1	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-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(C[6]C[5,6]C[6]H)(CCHO)(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(C[6]C[5,6]C[6]H)(CCHO)(H)2	H(C[6]C[5,6]C[6]C)	107.5450	1.355	4	107.5450	1.835	4	107.0557	1.977	7	107.4975	1.049	96	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[5]C[6]C)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CC[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[5]C[6]C)(CCHH)(H){1|O<2>,3|H<1>,6|C<4>}	C(C[6]C[5,6]C[6]H)(CC[6]HH)(H)2	H(C[6]C[5,6]C[6]C)	104.8430	0.000	1	104.8430	0.000	1	107.0557	1.977	7	107.4975	1.049	96	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CC[5]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]CO)(CCHH)(H){1|C<3>,3|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]H)(CC[5]HH)(H)2	H(C[6]C[5,6]C[6]C)	106.6990	0.000	1	106.6990	0.000	1	107.0557	1.977	7	107.4975	1.049	96	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-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(C[6]C[5,6]C[6]H)(CC[5]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(C[6]C[5,6]C[6]H)(CC[5]HH)(H)2	H(C[6]C[5,6]C[6]C)	107.6680	0.000	1	107.6680	0.000	1	107.0557	1.977	7	107.4975	1.049	96	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(CCHH)(H)	C(C[6]C[5a,6]C[6]H)(CCHH)(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]CH)(CCHH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C(C[6]C[5a,6]C[6]H)(CCHH)(H)2	H(C[6]C[5a,6]C[6]C)	107.0850	0.000	1	107.0850	0.000	1	107.6367	1.283	7	107.4975	1.049	96	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-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(C[6]C[5a,6]C[6]H)(CCHH)(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(C[6]C[5a,6]C[6]H)(CCHH)(H)2	H(C[6]C[5a,6]C[6]C)	108.5420	0.000	1	108.5420	0.000	1	107.6367	1.283	7	107.4975	1.049	96	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-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(C[6]C[5a,6]C[6]H)(CCHH)(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(C[6]C[5a,6]C[6]H)(CCHH)(H)2	H(C[6]C[5a,6]C[6]C)	108.9870	0.000	1	108.9870	0.000	1	107.6367	1.283	7	107.4975	1.049	96	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[5a,6]C[6]H)(CCHH)(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]CH)(CCHH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C(C[6]C[5a,6]C[6]H)(CCHH)(H)2	H(C[6]C[5a,6]C[6]C)	105.5590	0.000	1	105.5590	0.000	1	107.6367	1.283	7	107.4975	1.049	96	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HN)(CCHH)(H)	C(C[6]C[5a,6]C[6]H)(CHHO)(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]HN)(CCHH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C(C[6]C[5a,6]C[6]H)(CHHO)(H)2	H(C[6]C[5a,6]C[6]C)	107.2530	0.000	1	107.2530	0.000	1	107.6367	1.283	7	107.4975	1.049	96	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4: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(C[6]C[5a,6]C[6]H)(CH3)(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(C[6]C[5a,6]C[6]H)(CH3)(H)2	H(C[6]C[5a,6]C[6]C)	108.0110	0.000	1	108.0110	0.000	1	107.6367	1.283	7	107.4975	1.049	96	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-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(C[6]C[5a,6]C[6]H)(CC[6a]HH)(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(C[6]C[5a,6]C[6]H)(CC[6a]HH)(H)2	H(C[6]C[5a,6]C[6]C)	108.0200	0.000	1	108.0200	0.000	1	107.6367	1.283	7	107.4975	1.049	96	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:P-4: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(C[6]C[5a,6]C[6]H)(PC[6a]2O)(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(C[6]C[5a,6]C[6]H)(PC[6a]2O)(H)2	H(C[6]C[5a,6]C[6]C)	108.6170	0.000	1	108.6170	0.000	1	108.6170	0.000	1	107.4975	1.049	96	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:4:1:1:	4:	C[5a,6]-3:N[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])(N[6]C[6]HH)(CC[6]HH)(H)	C(C[6]C[5a,6]N[6]H)(C[6]C[6]2H)(H)2	H(C[6]C[5a,6]N[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]HH)(CC[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[5a,6]N[6]H)(C[6]C[6]2H)(H)2	H(C[6]C[5a,6]N[6]C)	108.8015	0.021	2	108.8015	0.000	2	108.8015	0.000	2	107.4975	1.049	96	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-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(C[6]C[6,6]C[6]H)(CCCH)(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(C[6]C[6,6]C[6]H)(CCCH)(H)2	H(C[6]C[6,6]C[6]C)	108.8055	0.141	2	108.8055	0.020	2	107.1837	1.177	16	107.4975	1.049	96	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-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(C[6]C[6,6]C[6]H)(CCCH)(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(C[6]C[6,6]C[6]H)(CCCH)(H)2	H(C[6]C[6,6]C[6]C)	108.9330	0.000	1	108.9330	0.000	1	107.1837	1.177	16	107.4975	1.049	96	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-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(C[6]C[6,6]C[6]H)(CCCH)(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(C[6]C[6,6]C[6]H)(CCCH)(H)2	H(C[6]C[6,6]C[6]C)	108.3360	0.000	1	108.3360	0.000	1	107.1837	1.177	16	107.4975	1.049	96	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CCCH)(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]CH)(CCHH)(H){1|O<1>,1|O<2>,4|C<4>}	C(C[6]C[6,6]C[6]H)(CCCH)(H)2	H(C[6]C[6,6]C[6]C)	106.5818	0.372	5	106.5818	0.138	5	107.1837	1.177	16	107.4975	1.049	96	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-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(C[6]C[6,6]C[6]H)(CCCH)(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(C[6]C[6,6]C[6]H)(CCCH)(H)2	H(C[6]C[6,6]C[6]C)	106.5994	0.975	5	106.5994	0.951	5	107.1837	1.177	16	107.4975	1.049	96	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-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(C[6]C[6,6]C[6]H)(CCHH)(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(C[6]C[6,6]C[6]H)(CCHH)(H)2	H(C[6]C[6,6]C[6]C)	107.0765	0.296	2	107.0765	0.088	2	107.1837	1.177	16	107.4975	1.049	96	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCHH)(H)	C(C[6]C[6,6a]C[5,6]H)(CCHH)(H)2	H(C[6]C[6,6a]C[5,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCHH)(H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6,6a]C[5,6]H)(CCHH)(H)2	H(C[6]C[6,6a]C[5,6]C)	107.0440	0.103	2	107.0440	0.011	2	107.0440	0.011	2	107.4975	1.049	96	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:Br-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CBrCH)(H)	C(C[6]C[6,6a]C[6]H)(CBrCH)(Br)(H)	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(C[6]C[6,6a]C[6]H)(CBrCH)(Br)(H)	H(C[6]C[6,6a]C[6]C)	106.9900	0.000	1	106.9900	0.000	1	106.9900	0.000	1	107.4975	1.049	96	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1: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(C[6]C[6,6a]C[6]H)(CCHH)(H)2	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(C[6]C[6,6a]C[6]H)(CCHH)(H)2	H(C[6]C[6,6a]C[6]C)	108.1725	0.588	2	108.1725	0.345	2	107.5622	1.129	18	107.4975	1.049	96	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]Si[6]CH)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	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(C[6]C[6,6a]C[6]H)(CCHH)(H)2	H(C[6]C[6,6a]C[6]C)	106.4225	0.661	2	106.4225	0.437	2	107.5622	1.129	18	107.4975	1.049	96	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-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(C[6]C[6,6a]C[6]H)(CH3)(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(C[6]C[6,6a]C[6]H)(CH3)(H)2	H(C[6]C[6,6a]C[6]C)	107.8440	0.000	1	107.8440	0.000	1	107.5622	1.129	18	107.4975	1.049	96	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CCHH)(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]CH)(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	H(C[6]C[6,6a]C[6]C)	109.3860	0.000	1	109.3860	0.000	1	107.5622	1.129	18	107.4975	1.049	96	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-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(C[6]C[6,6a]C[6]H)(CCCH)(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(C[6]C[6,6a]C[6]H)(CCCH)(H)2	H(C[6]C[6,6a]C[6]C)	108.0590	0.000	1	108.0590	0.000	1	107.5622	1.129	18	107.4975	1.049	96	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-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(C[6]C[6,6a]C[6]H)(CCHH)(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(C[6]C[6,6a]C[6]H)(CCHH)(H)2	H(C[6]C[6,6a]C[6]C)	108.4090	0.000	1	107.9560	0.410	2	107.5622	1.129	18	107.4975	1.049	96	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-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(C[6]C[6,6a]C[6]H)(CCHH)(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(C[6]C[6,6a]C[6]H)(CCHH)(H)2	H(C[6]C[6,6a]C[6]C)	107.5030	0.000	1	107.9560	0.410	2	107.5622	1.129	18	107.4975	1.049	96	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-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(C[6]C[6,6a]C[6]H)(CH3)(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(C[6]C[6,6a]C[6]H)(CH3)(H)2	H(C[6]C[6,6a]C[6]C)	107.9885	0.248	2	107.7447	0.209	3	107.5622	1.129	18	107.4975	1.049	96	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-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(C[6]C[6,6a]C[6]H)(CH3)(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(C[6]C[6,6a]C[6]H)(CH3)(H)2	H(C[6]C[6,6a]C[6]C)	107.2570	0.000	1	107.7447	0.209	3	107.5622	1.129	18	107.4975	1.049	96	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-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(C[6]C[6,6a]C[6]H)(CHHN)(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(C[6]C[6,6a]C[6]H)(CHHN)(H)2	H(C[6]C[6,6a]C[6]C)	104.5240	0.000	1	104.5240	0.000	1	107.5622	1.129	18	107.4975	1.049	96	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-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(C[6]C[6,6a]C[6]H)(CHHO)(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(C[6]C[6,6a]C[6]H)(CHHO)(H)2	H(C[6]C[6,6a]C[6]C)	107.5040	0.000	1	107.5040	0.000	1	107.5622	1.129	18	107.4975	1.049	96	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-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(C[6]C[6,6a]C[6]H)(CHHS)(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(C[6]C[6,6a]C[6]H)(CHHS)(H)2	H(C[6]C[6,6a]C[6]C)	107.8770	0.000	1	107.8770	0.000	1	107.5622	1.129	18	107.4975	1.049	96	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1: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(C[6]C[6,6a]C[6]H)(CCHH)(H)2	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(C[6]C[6,6a]C[6]H)(CCHH)(H)2	H(C[6]C[6,6a]C[6]C)	108.1290	0.000	1	108.1290	0.000	1	107.5622	1.129	18	107.4975	1.049	96	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4: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(C[6]C[6,6a]C[6]H)(CF3)(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(C[6]C[6,6a]C[6]H)(CF3)(H)2	H(C[6]C[6,6a]C[6]C)	106.8380	0.000	1	106.8380	0.000	1	107.5622	1.129	18	107.4975	1.049	96	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-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(C[6]C[6,6a]C[6]H)(CH3)(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(C[6]C[6,6a]C[6]H)(CH3)(H)2	H(C[6]C[6,6a]C[6]C)	107.6230	0.000	1	107.6230	0.000	1	107.5622	1.129	18	107.4975	1.049	96	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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[3]-4: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(C[6]C[6,6a]C[6]H)(C[3]C[3]O[3]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)(CC[3]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(C[3]C[3]O[3]H)(H)2	H(C[6]C[6,6a]C[6]C)	109.5800	0.000	1	109.5800	0.000	1	109.5800	0.000	1	107.4975	1.049	96	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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[5]-4:H-1: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(C[6]C[6,6a]C[6]H)(N[5]C[5]2H)(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]HO)(CN[5]HH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(N[5]C[5]2H)(H)2	H(C[6]C[6,6a]C[6]C)	109.0090	0.000	1	109.0090	0.000	1	109.0090	0.000	1	107.4975	1.049	96	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:S-4: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(C[6]C[6,6a]C[6]H)(SC[6a]OO)(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(C[6]C[6,6a]C[6]H)(SC[6a]OO)(H)2	H(C[6]C[6,6a]C[6]C)	108.1400	0.000	1	108.1400	0.000	1	108.2480	0.023	2	107.4975	1.049	96	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:S-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(C[6]C[6,6a]C[6]H)(SC[6a]OO)(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(C[6]C[6,6a]C[6]H)(SC[6a]OO)(H)2	H(C[6]C[6,6a]C[6]C)	108.3560	0.000	1	108.3560	0.000	1	108.2480	0.023	2	107.4975	1.049	96	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:N[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CH)(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(CC[6a]HO)(H)2	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CH)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]H)(CC[6a]HO)(H)2	H(C[6]C[6,6a]N[6]C)	107.7230	0.000	1	107.7230	0.000	1	107.7230	0.000	1	107.4975	1.049	96	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:P[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]O)(CCHH)(H)	C(C[6]C[6,6a]P[6]H)(CC[6a]HO)(H)2	H(C[6]C[6,6a]P[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]O)(CCHH)(H){1|H<1>,6|C<3>}	C(C[6]C[6,6a]P[6]H)(CC[6a]HO)(H)2	H(C[6]C[6,6a]P[6]C)	107.7510	0.000	1	107.7510	0.000	1	107.7510	0.000	1	107.4975	1.049	96	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CHHO)(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(C[6]C[6]2H)(CHHO)(H)2	H(C[6]C[6]2C)	106.7560	0.000	1	106.7560	0.000	1	107.5650	0.735	14	107.4975	1.049	96	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(H)2	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(C[6]C[6]2H)(CH3)(H)2	H(C[6]C[6]2C)	107.3150	0.025	2	107.3150	0.001	2	107.5650	0.735	14	107.4975	1.049	96	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CHHN)(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(C[6]C[6]2H)(CHHN)(H)2	H(C[6]C[6]2C)	108.5550	0.000	1	108.5550	0.000	1	107.5650	0.735	14	107.4975	1.049	96	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(H)2	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(C[6]C[6]2H)(CH3)(H)2	H(C[6]C[6]2C)	107.3357	0.373	3	107.3357	0.139	3	107.5650	0.735	14	107.4975	1.049	96	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-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(C[6]C[6]2H)(CH3)(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(C[6]C[6]2H)(CH3)(H)2	H(C[6]C[6]2C)	108.3453	0.971	3	108.3453	0.943	3	107.5650	0.735	14	107.4975	1.049	96	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CC[6]HH)(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(C[6]C[6]2H)(CC[6]HH)(H)2	H(C[6]C[6]2C)	108.0230	0.000	1	108.0230	0.000	1	107.5650	0.735	14	107.4975	1.049	96	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6]2H)(CHHO)(H)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(C[6]C[6]2H)(CHHO)(H)2	H(C[6]C[6]2C)	108.1900	0.000	1	108.1900	0.000	1	107.5650	0.735	14	107.4975	1.049	96	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(H)2	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(C[6]C[6]2H)(CH3)(H)2	H(C[6]C[6]2C)	106.6070	0.000	1	106.6070	0.000	1	107.5650	0.735	14	107.4975	1.049	96	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(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(C[6]C[6]2H)(CH3)(H)2	H(C[6]C[6]2C)	106.1060	0.000	1	106.1060	0.000	1	107.5650	0.735	14	107.4975	1.049	96	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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(C[6]C[6]2H)2(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(C[6]C[6]2H)2(H)2	H(C[6]C[6]2C)	106.5000	1.032	2	106.5000	1.066	2	106.5000	1.066	2	107.4975	1.049	96	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:P-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CHHP)(H)	C(C[6]C[6]2H)(PC[6a]2O)(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(C[6]C[6]2H)(PC[6a]2O)(H)2	H(C[6]C[6]2C)	107.7740	0.000	1	107.7740	0.000	1	107.7740	0.000	1	107.4975	1.049	96	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-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(C[6]N[5,6]C[6]H)(CCHH)(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(C[6]N[5,6]C[6]H)(CCHH)(H)2	H(C[6]N[5,6]C[6]C)	106.8610	0.000	1	106.8610	0.000	1	106.8610	0.000	1	107.4975	1.049	96	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:4:1:1:	4:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]CH)(CCHH)(H)	C(C[6]N[5a,6]C[6]H)(CCHH)(H)2	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(C[6]N[5a,6]C[6]H)(CCHH)(H)2	H(C[6]N[5a,6]C[6]C)	107.9040	0.000	1	107.9040	0.000	1	107.5477	0.218	3	107.4975	1.049	96	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:4:1:1:	4:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HO)(CCHH)(H)	C(C[6]N[5a,6]C[6]H)(CCHH)(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]HO)(CCHH)(H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C(C[6]N[5a,6]C[6]H)(CCHH)(H)2	H(C[6]N[5a,6]C[6]C)	107.7200	0.000	1	107.7200	0.000	1	107.5477	0.218	3	107.4975	1.049	96	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:4:1:1:	4:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(CCHH)(H)	C(C[6]N[5a,6]C[6]H)(CCHH)(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[6]CH)(CCHH)(H){1|C<4>,1|S<4>,3|C<3>}	C(C[6]N[5a,6]C[6]H)(CCHH)(H)2	H(C[6]N[5a,6]C[6]C)	107.0190	0.000	1	107.0190	0.000	1	107.5477	0.218	3	107.4975	1.049	96	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HN)(CCHH)(H)	C(C[6]N[6,6]C[6]H)(CCHH)(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]HN)(CCHH)(H){2|C<3>,2|C<4>,4|H<1>}	C(C[6]N[6,6]C[6]H)(CCHH)(H)2	H(C[6]N[6,6]C[6]C)	106.8460	0.000	1	106.8460	0.000	1	106.8460	0.000	1	107.4975	1.049	96	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:B-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CBHH)(H)	C(C[6]C[6]N[6]H)(BC[6a]3)(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(C[6]C[6]N[6]H)(BC[6a]3)(H)2	H(C[6]C[6]N[6]C)	107.9400	0.000	1	107.9400	0.000	1	107.9400	0.000	1	107.4975	1.049	96	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-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(C[6]C[6]N[6]H)(CCCH)(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(C[6]C[6]N[6]H)(CCCH)(H)2	H(C[6]C[6]N[6]C)	106.4070	0.000	1	106.4070	0.000	1	107.2310	1.057	10	107.4975	1.049	96	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-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(C[6]C[6]N[6]H)(CCCH)(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(C[6]C[6]N[6]H)(CCCH)(H)2	H(C[6]C[6]N[6]C)	108.4550	0.000	1	108.4550	0.000	1	107.2310	1.057	10	107.4975	1.049	96	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5,6]O)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]N[6]H)(CC[6a]HO)(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(C[6]C[6]N[6]H)(CC[6a]HO)(H)2	H(C[6]C[6]N[6]C)	107.1110	0.000	1	107.1110	0.000	1	107.2310	1.057	10	107.4975	1.049	96	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHH)(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(C[6]C[6]N[6]H)(CCHH)(H)2	H(C[6]C[6]N[6]C)	106.2960	0.000	1	106.2960	0.000	1	107.2310	1.057	10	107.4975	1.049	96	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-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(C[6]C[6]N[6]H)(CCHH)(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(C[6]C[6]N[6]H)(CCHH)(H)2	H(C[6]C[6]N[6]C)	105.7750	0.000	1	105.7750	0.000	1	107.2310	1.057	10	107.4975	1.049	96	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]N[6]H)(CC[6a]HH)(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(C[6]C[6]N[6]H)(CC[6a]HH)(H)2	H(C[6]C[6]N[6]C)	106.4610	0.000	1	106.4610	0.000	1	107.2310	1.057	10	107.4975	1.049	96	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]N[6]HH)(CCHH)(H)	C(C[6]C[6]N[6]H)(CC[6a]HH)(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(C[6]C[6]N[6]H)(CC[6a]HH)(H)2	H(C[6]C[6]N[6]C)	109.0360	0.000	1	109.0360	0.000	1	107.2310	1.057	10	107.4975	1.049	96	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]S[6]CH)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHH)(H)2	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(C[6]C[6]N[6]H)(CCHH)(H)2	H(C[6]C[6]N[6]C)	107.4685	0.021	2	107.4685	0.000	2	107.2310	1.057	10	107.4975	1.049	96	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HN)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCCH)(H)2	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(C[6]C[6]N[6]H)(CCCH)(H)2	H(C[6]C[6]N[6]C)	107.8320	0.000	1	107.8320	0.000	1	107.2310	1.057	10	107.4975	1.049	96	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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]CH)(CC[6]HH)(H)	C(C[6]C[6]N[6]H)(C[6]C[6]2H)(H)2	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(C[6]C[6]N[6]H)(C[6]C[6]2H)(H)2	H(C[6]C[6]N[6]C)	107.8785	0.008	2	107.8785	0.000	2	107.8785	0.000	2	107.4975	1.049	96	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:Si-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]N[6]HH)(CSiHH)(H)	C(C[6]C[6]N[6]H)(SiC3)(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(C[6]C[6]N[6]H)(SiC3)(H)2	H(C[6]C[6]N[6]C)	108.9570	0.000	1	108.9570	0.000	1	108.9570	0.000	1	107.4975	1.049	96	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-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(C[6]C[6,6a]C[6]H)(CH3)(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(C[6]C[6,6a]C[6]H)(CH3)(OH)(H)	H(C[6]C[6,6a]C[6]C)	107.2900	0.000	1	107.2900	0.000	1	108.2963	1.157	3	107.5765	1.663	6	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:O-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(CCHO)(H)	C(C[6]C[6,6a]C[6]H)(CCHO)(OC)(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(C[6]C[6,6a]C[6]H)(CCHO)(OC)(H)	H(C[6]C[6,6a]C[6]C)	109.4300	0.000	1	109.4300	0.000	1	108.2963	1.157	3	107.5765	1.663	6	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:O-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CCHO)(H)	C(C[6]C[6,6a]C[6]H)(CCHO)(OC)(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]HH)(CCHO)(H){1|H<1>,2|O<2>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(CCHO)(OC)(H)	H(C[6]C[6,6a]C[6]C)	108.1690	0.000	1	108.1690	0.000	1	108.2963	1.157	3	107.5765	1.663	6	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:4:2:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:P-4:O-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHOP)(H)	C(C[6]C[6,6a]C[6]H)(PO3)(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]HH)(CHOP)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]H)(PO3)(OH)(H)	H(C[6]C[6,6a]C[6]C)	107.3440	0.000	1	107.3440	0.000	1	107.3440	0.000	1	107.5765	1.663	6	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:4:2:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CC[5]HO)(H)	C(C[5]C[5]2H)(C[6]C[6]2H)(OC)(H)	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(C[5]C[5]2H)(C[6]C[6]2H)(OC)(H)	H(C[6]C[6]2C)	105.4870	0.000	1	105.4870	0.000	1	105.4870	0.000	1	107.5765	1.663	6	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:4:2:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CCHO)(H)	C(C[6]C[6]2H)(CC3)(OH)(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(C[6]C[6]2H)(CC3)(OH)(H)	H(C[6]C[6]2C)	107.7390	0.000	1	107.7390	0.000	1	107.7390	0.000	1	107.5765	1.663	6	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:4:3:1:	4:	C[4,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6]-4:	C[6](C[4,6]C[4,5,6]C[4])(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[4,6]C[6]H)(CCCO)(CCH)(H)	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(C[6]C[4,6]C[6]H)(CCCO)(CCH)(H)	H(C[6]C[4,6]C[6]C)	108.3480	0.000	1	108.3480	0.000	1	108.3480	0.000	1	107.7477	0.503	9	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4: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(C[6]C[6,6a]C[6]H)(CCHH)(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(C[6]C[6,6a]C[6]H)(CCHH)(COO)(H)	H(C[6]C[6,6a]C[6]C)	108.5540	0.000	1	108.5540	0.000	1	108.5540	0.000	1	107.7477	0.503	9	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:4:3:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CC[5]CH)(H)	C(C[5]C[5,6a]C[5]H)(C[6]C[6]2H)(COO)(H)	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(C[5]C[5,6a]C[5]H)(C[6]C[6]2H)(COO)(H)	H(C[6]C[6]2C)	108.9390	0.000	1	108.9390	0.000	1	108.9390	0.000	1	107.7477	0.503	9	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:4:3:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]2H)(CH3)(COO)(H)	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(C[6]C[6]2H)(CH3)(COO)(H)	H(C[6]C[6]2C)	107.2287	0.322	4	107.2287	0.104	4	107.2287	0.104	4	107.7477	0.503	9	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:4:3:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C)(C[6]S[6]HH)(CCHN)(H)	C(C[6]C[6]2H)(CCHH)(NHS)(H)	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(C[6]C[6]2H)(CCHH)(NHS)(H)	H(C[6]C[6]2C)	107.4865	0.264	2	107.4865	0.070	2	107.4865	0.070	2	107.7477	0.503	9	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:4:3:2:	4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-3:O-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(CCCO)(H)	C(C[6]C[5a,6]C[6]H)(CF3)(COO)(OH)	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(C[6]C[5a,6]C[6]H)(CF3)(COO)(OH)	H(C[6]C[5a,6]C[6]C)	108.3740	0.000	1	108.3740	0.000	1	108.3740	0.000	1	108.3740	0.000	1	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:4:4:1:	4:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[3x6]HH)(CCCH)(H)	C(C[6]C[5,6]C[6]H)(CCHH)(CH3)(H)	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(C[6]C[5,6]C[6]H)(CCHH)(CH3)(H)	H(C[6]C[5,6]C[6]C)	108.6630	0.708	3	108.6630	0.501	3	107.7006	0.858	8	106.9345	1.085	66	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:4:4:1:	4:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[3x6]HH)(CCCH)(H)	C(C[6]C[5,6]C[6]H)(CH3)2(H)	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(C[6]C[5,6]C[6]H)(CH3)2(H)	H(C[6]C[5,6]C[6]C)	107.5020	0.000	1	107.5020	0.000	1	107.7006	0.858	8	106.9345	1.085	66	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:4:4:1:	4:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[5,6]C[6]H)(CC[5]HH)(CH3)(H)	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(C[6]C[5,6]C[6]H)(CC[5]HH)(CH3)(H)	H(C[6]C[5,6]C[6]C)	106.7360	0.000	2	107.0285	0.127	4	107.7006	0.858	8	106.9345	1.085	66	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:4:4:1:	4:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[5,6]C[6]H)(CC[5]HH)(CH3)(H)	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(C[6]C[5,6]C[6]H)(CC[5]HH)(CH3)(H)	H(C[6]C[5,6]C[6]C)	107.3210	0.198	2	107.0285	0.127	4	107.7006	0.858	8	106.9345	1.085	66	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[5a,6]C[6]H)(CH3)2(H)	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(C[6]C[5a,6]C[6]H)(CH3)2(H)	H(C[6]C[5a,6]C[6]C)	108.3720	0.262	3	108.3720	0.069	3	108.0810	0.384	4	106.9345	1.085	66	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[5a,6]C[6]H)(CH3)2(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]HH)(CCCH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[5a,6]C[6]H)(CH3)2(H)	H(C[6]C[5a,6]C[6]C)	107.2080	0.000	1	107.2080	0.000	1	108.0810	0.384	4	106.9345	1.085	66	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[3x6]HH)(CCCH)(H)	C(C[6]C[6,6]C[6]H)(CH3)2(H)	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(C[6]C[6,6]C[6]H)(CH3)2(H)	H(C[6]C[6,6]C[6]C)	107.9700	0.000	1	107.9700	0.000	1	107.1713	1.130	10	106.9345	1.085	66	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCCH)(H)	C(C[6]C[6,6]C[6]H)(CH3)2(H)	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(C[6]C[6,6]C[6]H)(CH3)2(H)	H(C[6]C[6,6]C[6]C)	107.9790	0.000	1	107.9790	0.000	1	107.1713	1.130	10	106.9345	1.085	66	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(CCCH)(H)	C(C[6]C[6,6]C[6]H)(CH3)2(H)	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(C[6]C[6,6]C[6]H)(CH3)2(H)	H(C[6]C[6,6]C[6]C)	107.8560	0.000	1	107.8560	0.000	1	107.1713	1.130	10	106.9345	1.085	66	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-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(C[6]C[6,6]C[6]H)(CH3)2(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(C[6]C[6,6]C[6]H)(CH3)2(H)	H(C[6]C[6,6]C[6]C)	107.2903	0.542	3	107.2903	0.294	3	107.1713	1.130	10	106.9345	1.085	66	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(CCCH)(H)	C(C[6]C[6,6]C[6]H)(CCCH)(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]CO)(CCCH)(H){3|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]H)(CCCH)(CH3)(H)	H(C[6]C[6,6]C[6]C)	104.9420	0.000	1	104.9420	0.000	1	107.1713	1.130	10	106.9345	1.085	66	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6,6]C[6]H)(CH3)2(H)	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(C[6]C[6,6]C[6]H)(CH3)2(H)	H(C[6]C[6,6]C[6]C)	107.8790	0.000	1	107.0317	1.374	3	107.1713	1.130	10	106.9345	1.085	66	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6,6]C[6]H)(CH3)2(H)	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(C[6]C[6,6]C[6]H)(CH3)2(H)	H(C[6]C[6,6]C[6]C)	105.6940	0.000	1	107.0317	1.374	3	107.1713	1.130	10	106.9345	1.085	66	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6,6]C[6]H)(CH3)2(H)	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(C[6]C[6,6]C[6]H)(CH3)2(H)	H(C[6]C[6,6]C[6]C)	107.5220	0.000	1	107.0317	1.374	3	107.1713	1.130	10	106.9345	1.085	66	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:4:4:1:	4:	C[6,6a]-3:B[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]Br2)(CCCH)(H)	C(C[6]C[6,6a]B[6]H)(CH3)2(H)	H(C[6]C[6,6a]B[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]Br2)(CCCH)(H){1|H<1>,4|C<3>}	C(C[6]C[6,6a]B[6]H)(CH3)2(H)	H(C[6]C[6,6a]B[6]C)	106.8340	0.000	1	106.8340	0.000	1	106.5249	1.957	9	106.9345	1.085	66	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:4:4:1:	4:	C[6,6a]-3:B[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(CCCH)(H)	C(C[6]C[6,6a]B[6]H)(CH3)2(H)	H(C[6]C[6,6a]B[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(CCCH)(H){1|H<1>,8|C<3>}	C(C[6]C[6,6a]B[6]H)(CH3)2(H)	H(C[6]C[6,6a]B[6]C)	106.2620	1.537	6	106.2620	2.363	6	106.5249	1.957	9	106.9345	1.085	66	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:4:4:1:	4:	C[6,6a]-3:B[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]FF)(CCCH)(H)	C(C[6]C[6,6a]B[6]H)(CH3)2(H)	H(C[6]C[6,6a]B[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]FF)(CCCH)(H){1|H<1>,4|C<3>}	C(C[6]C[6,6a]B[6]H)(CH3)2(H)	H(C[6]C[6,6a]B[6]C)	106.0350	0.000	1	106.0350	0.000	1	106.5249	1.957	9	106.9345	1.085	66	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:4:4:1:	4:	C[6,6a]-3:B[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]II)(CCCH)(H)	C(C[6]C[6,6a]B[6]H)(CH3)2(H)	H(C[6]C[6,6a]B[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]II)(CCCH)(H){1|H<1>,4|C<3>}	C(C[6]C[6,6a]B[6]H)(CH3)2(H)	H(C[6]C[6,6a]B[6]C)	108.2830	0.000	1	108.2830	0.000	1	106.5249	1.957	9	106.9345	1.085	66	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[3,6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]N[3]C)(CCCH)(H)	C(C[6]C[6,6a]C[3,6]H)(CH3)2(H)	H(C[6]C[6,6a]C[3,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]N[3]C)(CCCH)(H){1|C<3>,1|H<1>,1|O<1>,3|O<2>}	C(C[6]C[6,6a]C[3,6]H)(CH3)2(H)	H(C[6]C[6,6a]C[3,6]C)	105.8970	0.000	1	105.8970	0.000	1	105.8970	0.000	1	106.9345	1.085	66	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6,6a]C[6]H)(CH3)2(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]HH)(CCCH)(H){3|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]H)(CH3)2(H)	H(C[6]C[6,6a]C[6]C)	106.4376	0.599	8	106.4376	0.359	8	106.6679	0.443	14	106.9345	1.085	66	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-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(C[6]C[6,6a]C[6]H)(CH3)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]CH)(CCCH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(CH3)2(H)	H(C[6]C[6,6a]C[6]C)	106.9970	0.000	1	106.9970	0.000	1	106.6679	0.443	14	106.9345	1.085	66	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(CCCH)(H)	C(C[6]C[6,6a]C[6]H)(CH3)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]CO)(CCCH)(H){1|O<2>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]H)(CH3)2(H)	H(C[6]C[6,6a]C[6]C)	106.4020	0.000	1	106.4020	0.000	1	106.6679	0.443	14	106.9345	1.085	66	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6,6a]C[6]H)(CH3)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]HH)(CCCH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]H)(CH3)2(H)	H(C[6]C[6,6a]C[6]C)	106.5580	0.000	1	107.3705	1.320	2	106.6679	0.443	14	106.9345	1.085	66	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6,6a]C[6]H)(CH3)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]HH)(CCCH)(H){1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]H)(CH3)2(H)	H(C[6]C[6,6a]C[6]C)	108.1830	0.000	1	107.3705	1.320	2	106.6679	0.443	14	106.9345	1.085	66	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4: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(C[6]C[6,6a]C[6]H)(CCHH)(CH3)(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(C[6]C[6,6a]C[6]H)(CCHH)(CH3)(H)	H(C[6]C[6,6a]C[6]C)	106.4930	0.000	1	106.4930	0.000	1	106.6679	0.443	14	106.9345	1.085	66	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(CCCH)(H)	C(C[6]C[6,6a]C[6]H)(CHHO)(CH3)(H)	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(C[6]C[6,6a]C[6]H)(CHHO)(CH3)(H)	H(C[6]C[6,6a]C[6]C)	107.2160	0.000	1	107.2160	0.000	1	106.6679	0.443	14	106.9345	1.085	66	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:Si-4:Si-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(C[6]C[6,6a]C[6]H)(SiC3)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[6]2H)(CSi2H)(H){1|C<4>,3|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]H)(SiC3)2(H)	H(C[6]C[6,6a]C[6]C)	105.5920	0.000	1	105.5920	0.000	1	105.5920	0.000	1	106.9345	1.085	66	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:4:4:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:Cl-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CClCC)(H)	C(C[6]C[6]2H)(CH3)2(Cl)	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(C[6]C[6]2H)(CH3)2(Cl)	H(C[6]C[6]2C)	105.3750	0.000	1	105.3750	0.000	1	105.3750	0.000	1	106.9345	1.085	66	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:4:4:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]2H)(CCHH)(CH3)(H)	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(C[6]C[6]2H)(CCHH)(CH3)(H)	H(C[6]C[6]2C)	107.5200	0.000	1	106.9590	0.237	3	106.3318	0.699	9	106.9345	1.085	66	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:4:4:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]2H)(CCHH)(CH3)(H)	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(C[6]C[6]2H)(CCHH)(CH3)(H)	H(C[6]C[6]2C)	106.6785	0.042	2	106.9590	0.237	3	106.3318	0.699	9	106.9345	1.085	66	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:4:4:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(H)	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(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	106.1930	0.687	2	106.1930	0.472	2	106.3318	0.699	9	106.9345	1.085	66	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:4:4:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(H)	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(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	105.7840	0.000	1	105.7840	0.000	1	106.3318	0.699	9	106.9345	1.085	66	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:4:4:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]2H)(CHHO)(CH3)(H)	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(C[6]C[6]2H)(CHHO)(CH3)(H)	H(C[6]C[6]2C)	105.9080	0.000	1	105.9080	0.000	1	106.3318	0.699	9	106.9345	1.085	66	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:4:4:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(H)	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(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	106.0155	1.657	2	106.0155	2.745	2	106.3318	0.699	9	106.9345	1.085	66	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:4:4:1:	4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(CCCH)(H)	C(C[6]N[5,6]C[6]H)(CH3)2(H)	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(C[6]N[5,6]C[6]H)(CH3)2(H)	H(C[6]N[5,6]C[6]C)	107.6755	0.537	2	107.6755	0.288	2	107.5184	0.297	5	106.9345	1.085	66	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:4:4:1:	4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CCCH)(H)	C(C[6]N[5,6]C[6]H)(CH3)2(H)	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(C[6]N[5,6]C[6]H)(CH3)2(H)	H(C[6]N[5,6]C[6]C)	107.0455	0.056	2	107.0455	0.003	2	107.5184	0.297	5	106.9345	1.085	66	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:4:4:1:	4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]O[6]HH)(CCCH)(H)	C(C[6]N[5,6]C[6]H)(CH3)2(H)	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(C[6]N[5,6]C[6]H)(CH3)2(H)	H(C[6]N[5,6]C[6]C)	108.1500	0.000	1	108.1500	0.000	1	107.5184	0.297	5	106.9345	1.085	66	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:4:4:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](N[6]C[5,6]S)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]N[6]H)(CH3)2(H)	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(C[6]C[6]N[6]H)(CH3)2(H)	H(C[6]C[6]N[6]C)	107.6830	0.182	2	107.6830	0.033	2	107.1305	0.507	4	106.9345	1.085	66	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:4:4:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]N[6]H)(CH3)2(H)	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(C[6]C[6]N[6]H)(CH3)2(H)	H(C[6]C[6]N[6]C)	106.2130	0.000	1	106.2130	0.000	1	107.1305	0.507	4	106.9345	1.085	66	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:4:4:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]N[6]H)(CCHH)2(H)	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(C[6]C[6]N[6]H)(CCHH)2(H)	H(C[6]C[6]N[6]C)	106.9430	0.000	1	106.9430	0.000	1	107.1305	0.507	4	106.9345	1.085	66	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:4:4:2:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:N-2:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CCCN)(H)	C(C[6]C[6]2H)(CH3)2(NN)	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(C[6]C[6]2H)(CH3)2(NN)	H(C[6]C[6]2C)	106.3910	0.000	1	106.3910	0.000	1	106.3910	0.000	1	106.4125	0.001	2	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:4:4:2:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:S-2:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(CCCS)(H)	C(C[6]C[6]2H)(CH3)2(SC)	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(C[6]C[6]2H)(CH3)2(SC)	H(C[6]C[6]2C)	106.4340	0.000	1	106.4340	0.000	1	106.4340	0.000	1	106.4125	0.001	2	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:4:4:4:	4:	C[3,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[3,6]C[3,6]O[3])(C[6]C[3]C[6]H)(CC3)(H)	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	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(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	H(C[6]C[3,6]C[6]C)	104.7170	0.000	1	104.7170	0.000	1	104.7170	0.000	1	105.8246	1.138	8	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:4:4:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]CH)(CC3)(H)	C(C[6]C[6,6a]C[6]H)(CH3)3	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(C[6]C[6,6a]C[6]H)(CH3)3	H(C[6]C[6,6a]C[6]C)	105.5487	1.241	3	105.5487	1.540	3	105.9829	1.093	7	105.8246	1.138	8	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:4:4:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]CH)(CC3)(H)	C(C[6]C[6,6a]C[6]H)(CH3)3	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(C[6]C[6,6a]C[6]H)(CH3)3	H(C[6]C[6,6a]C[6]C)	107.5680	0.000	1	107.5680	0.000	1	105.9829	1.093	7	105.8246	1.138	8	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:4:4:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CC3)(H)	C(C[6]C[6,6a]C[6]H)(CH3)3	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(C[6]C[6,6a]C[6]H)(CH3)3	H(C[6]C[6,6a]C[6]C)	105.4740	0.000	1	105.4740	0.000	1	105.9829	1.093	7	105.8246	1.138	8	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	3:4:4:1:	4:4:4:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC3)(H)	C(C[6]C[6,6a]C[6]H)(CH3)3	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(C[6]C[6,6a]C[6]H)(CH3)3	H(C[6]C[6,6a]C[6]C)	106.0960	0.344	2	106.0960	0.118	2	105.9829	1.093	7	105.8246	1.138	8	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:2:1:	3:4:3:1:	4:	C-4:S[6]-2:S[6]-2:H-1:	C[6a]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6](CC[6a]HN)(S[6]C[6])2(H)	C(C[6a]C[6a]2)(C[6]S[6]2H)(NHS)(H)	H(C[6]S[6]2C)	C[6](CC[6a]HN)(S[6]C[6])2(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]S[6]2H)(NHS)(H)	H(C[6]S[6]2C)	108.9300	0.000	1	108.9300	0.000	1	108.9300	0.000	1	108.9300	0.000	1	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:2:1:	4:4:3:1:	4:	C-4:S[6]-2:S[6]-2:H-1:	C[5]-4:C[6]-4:N[4]-3:H-1:	C[6]-4:	C[6](CC[5]N[4]H)(S[6]C[6])2(H)	C(C[5]C[5]O[5]H)(C[6]S[6]2H)(N[4]C[4]2)(H)	H(C[6]S[6]2C)	C[6](CC[5]N[4]H)(S[6]C[6])2(H){1|C<4>,4|H<1>}	C(C[5]C[5]O[5]H)(C[6]S[6]2H)(N[4]C[4]2)(H)	H(C[6]S[6]2C)	104.9005	1.227	2	104.9005	1.505	2	104.9005	1.505	2	104.9005	1.505	2	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[3,6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]C)(O[6]C[6])(CH3)(H)	C(C[6]C[3,6]O[6]H)(H)3	H(C[6]C[3,6]O[6]C)	C[6](C[3,6]C[3,6]O[3]C)(O[6]C[6])(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[3,6]O[6]H)(H)3	H(C[6]C[3,6]O[6]C)	108.9570	0.055	2	108.9570	0.003	2	108.9570	0.003	2	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[3x6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(O[6]C[6])(CH3)(H)	C(C[6]C[3x6]O[6]H)(H)3	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(C[6]C[3x6]O[6]H)(H)3	H(C[6]C[3x6]O[6]C)	107.2230	0.468	2	107.2230	0.219	2	107.2230	0.219	2	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5,6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6]S[5,6]O[6])(O[6]C[6])(CH3)(H)	C(C[6]C[5,6,6]O[6]H)(H)3	H(C[6]C[5,6,6]O[6]C)	C[6](C[5,6,6]C[5,5,6]S[5,6]O[6])(O[6]C[6])(CH3)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C(C[6]C[5,6,6]O[6]H)(H)3	H(C[6]C[5,6,6]O[6]C)	108.3940	0.000	1	108.3940	0.000	1	108.3940	0.000	1	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:F-1:F-1:F-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(CF3)(H)	C(C[6]C[5,6]O[6]H)(F)3	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(CF3)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[5,6]O[6]H)(F)3	H(C[6]C[5,6]O[6]C)	107.2480	0.000	1	107.2208	0.078	4	107.2208	0.078	4	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:F-1:F-1:F-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(CF3)(H)	C(C[6]C[5,6]O[6]H)(F)3	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(CF3)(H){1|N<3>,3|C<3>,4|H<1>}	C(C[6]C[5,6]O[6]H)(F)3	H(C[6]C[5,6]O[6]C)	107.2117	0.341	3	107.2208	0.078	4	107.2208	0.078	4	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[3,5,6]O[5]H)(O[6]C[6])(CH3)(H)	C(C[6]C[5,6]O[6]H)(H)3	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[3,5,6]O[5]H)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C(C[6]C[5,6]O[6]H)(H)3	H(C[6]C[5,6]O[6]C)	107.0970	0.000	1	107.0970	0.000	1	108.8564	1.674	24	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]C)(O[6]C[6,6])(CH3)(H)	C(C[6]C[5,6]O[6]H)(H)3	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6,6]O[5]C)(O[6]C[6,6])(CH3)(H){2|O<2>,4|C<4>}	C(C[6]C[5,6]O[6]H)(H)3	H(C[6]C[5,6]O[6]C)	110.6133	1.108	3	110.6133	1.227	3	108.8564	1.674	24	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6a]C[5]H)(O[6]C[6])(CH3)(H)	C(C[6]C[5,6]O[6]H)(H)3	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6,6a]C[5]H)(O[6]C[6])(CH3)(H){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C(C[6]C[5,6]O[6]H)(H)3	H(C[6]C[5,6]O[6]C)	107.9060	0.000	1	107.9060	0.000	1	108.8564	1.674	24	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(O[6]C[6])(CH3)(H)	C(C[6]C[5,6]O[6]H)(H)3	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]2H)(O[6]C[6])(CH3)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C(C[6]C[5,6]O[6]H)(H)3	H(C[6]C[5,6]O[6]C)	107.7000	1.057	5	107.7000	1.116	5	108.8564	1.674	24	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)(H)	C(C[6]C[5,6]O[6]H)(H)3	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)(H){3|H<1>,4|C<3>}	C(C[6]C[5,6]O[6]H)(H)3	H(C[6]C[5,6]O[6]C)	108.8620	0.000	1	108.8620	0.000	1	108.8564	1.674	24	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]N)(O[6]C[6])(CH3)(H)	C(C[6]C[5,6]O[6]H)(H)3	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]C[5]N)(O[6]C[6])(CH3)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C(C[6]C[5,6]O[6]H)(H)3	H(C[6]C[5,6]O[6]C)	109.0330	0.000	1	109.0330	0.000	1	108.8564	1.674	24	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CH3)(H)	C(C[6]C[5,6]O[6]H)(H)3	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C(C[6]C[5,6]O[6]H)(H)3	H(C[6]C[5,6]O[6]C)	108.8710	0.000	1	108.8342	0.666	10	108.8564	1.674	24	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CH3)(H)	C(C[6]C[5,6]O[6]H)(H)3	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,1|N<3>,1|S<2>,2|H<1>}	C(C[6]C[5,6]O[6]H)(H)3	H(C[6]C[5,6]O[6]C)	108.9260	0.000	1	108.8342	0.666	10	108.8564	1.674	24	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CH3)(H)	C(C[6]C[5,6]O[6]H)(H)3	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CH3)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[5,6]O[6]H)(H)3	H(C[6]C[5,6]O[6]C)	109.6370	0.000	1	108.8342	0.666	10	108.8564	1.674	24	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CH3)(H)	C(C[6]C[5,6]O[6]H)(H)3	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CH3)(H){1|H<1>,1|O<1>,3|C<4>}	C(C[6]C[5,6]O[6]H)(H)3	H(C[6]C[5,6]O[6]C)	107.8220	0.000	1	108.8342	0.666	10	108.8564	1.674	24	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CH3)(H)	C(C[6]C[5,6]O[6]H)(H)3	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CH3)(H){2|C<4>,2|H<1>,2|O<2>}	C(C[6]C[5,6]O[6]H)(H)3	H(C[6]C[5,6]O[6]C)	108.8477	0.929	6	108.8342	0.666	10	108.8564	1.674	24	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(O[6]C[6,6a])(CH3)(H)	C(C[6]C[5,6]O[6]H)(H)3	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5]C[6]O[5])(O[6]C[6,6a])(CH3)(H){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C(C[6]C[5,6]O[6]H)(H)3	H(C[6]C[5,6]O[6]C)	110.4865	0.532	2	110.4865	0.284	2	108.8564	1.674	24	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:I-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHI)(H)	C(C[6]C[5,6]O[6]H)(H)2(I)	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHI)(H){2|C<4>,2|H<1>,2|O<2>}	C(C[6]C[5,6]O[6]H)(H)2(I)	H(C[6]C[5,6]O[6]C)	109.7480	0.000	1	109.7480	0.000	1	109.7480	0.000	1	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6,6])(CH3)(H)	C(C[6]C[6,6]O[6]H)(H)3	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(C[6]C[6,6]O[6]H)(H)3	H(C[6]C[6,6]O[6]C)	110.1580	0.000	1	110.1580	0.000	1	108.9417	1.705	24	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]N[6,6]H)(O[6]C[6])(CH3)(H)	C(C[6]C[6,6]O[6]H)(H)3	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(C[6]C[6,6]O[6]H)(H)3	H(C[6]C[6,6]O[6]C)	110.0660	0.000	1	110.0660	0.000	1	108.9417	1.705	24	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]O[6,6]H)(O[6]C[6])(CH3)(H)	C(C[6]C[6,6]O[6]H)(H)3	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(C[6]C[6,6]O[6]H)(H)3	H(C[6]C[6,6]O[6]C)	111.3980	0.000	1	111.3980	0.000	1	108.9417	1.705	24	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)(H)	C(C[6]C[6,6]O[6]H)(H)3	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(C[6]C[6,6]O[6]H)(H)3	H(C[6]C[6,6]O[6]C)	108.8060	0.000	1	108.8060	0.000	1	108.9417	1.705	24	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H)	C(C[6]C[6,6]O[6]H)(H)3	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(C[6]C[6,6]O[6]H)(H)3	H(C[6]C[6,6]O[6]C)	108.4630	0.000	1	108.8898	0.218	11	108.9417	1.705	24	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H)	C(C[6]C[6,6]O[6]H)(H)3	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(C[6]C[6,6]O[6]H)(H)3	H(C[6]C[6,6]O[6]C)	108.9806	0.219	5	108.8898	0.218	11	108.9417	1.705	24	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H)	C(C[6]C[6,6]O[6]H)(H)3	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(C[6]C[6,6]O[6]H)(H)3	H(C[6]C[6,6]O[6]C)	108.9975	0.193	2	108.8898	0.218	11	108.9417	1.705	24	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H)	C(C[6]C[6,6]O[6]H)(H)3	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(C[6]C[6,6]O[6]H)(H)3	H(C[6]C[6,6]O[6]C)	107.7490	0.000	1	108.8898	0.218	11	108.9417	1.705	24	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H)	C(C[6]C[6,6]O[6]H)(H)3	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(C[6]C[6,6]O[6]H)(H)3	H(C[6]C[6,6]O[6]C)	109.3390	0.059	2	108.8898	0.218	11	108.9417	1.705	24	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]N[6])(CH3)(H)	C(C[6]C[6,6]O[6]H)(H)3	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(C[6]C[6,6]O[6]H)(H)3	H(C[6]C[6,6]O[6]C)	107.4310	0.000	1	107.4310	0.000	1	108.9417	1.705	24	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(O[6]C[6,6a])(CH3)(H)	C(C[6]C[6,6]O[6]H)(H)3	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(C[6]C[6,6]O[6]H)(H)3	H(C[6]C[6,6]O[6]C)	109.2060	0.000	1	109.2060	0.000	1	108.9417	1.705	24	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(O[6]C[6])(CH3)(H)	C(C[6]C[6,6]O[6]H)(H)3	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(C[6]C[6,6]O[6]H)(H)3	H(C[6]C[6,6]O[6]C)	105.5720	0.016	2	105.5720	0.000	2	108.9417	1.705	24	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(CH3)(H)	C(C[6]C[6,6]O[6]H)(H)3	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(C[6]C[6,6]O[6]H)(H)3	H(C[6]C[6,6]O[6]C)	109.7208	0.172	5	109.7208	0.030	5	108.9417	1.705	24	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(N[6]C[6])(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	107.4520	0.779	2	107.4520	0.607	2	107.7210	0.521	3	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(N[6]C[6])(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	108.2590	0.000	1	108.2590	0.000	1	107.7210	0.521	3	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:Br-1:Br-1:Br-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(CBr3)(H)	C(C[6]C[6]O[6]H)(Br)3	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(C[6]C[6]O[6]H)(Br)3	H(C[6]C[6]O[6]C)	107.5960	0.000	1	107.5960	0.000	1	107.5960	0.000	1	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:Br-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CBrHH)(H)	C(C[6]C[6]O[6]H)(Br)(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(C[6]C[6]O[6]H)(Br)(H)2	H(C[6]C[6]O[6]C)	109.4110	0.000	1	108.4535	1.834	2	108.4535	1.834	2	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:Br-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CBrHH)(H)	C(C[6]C[6]O[6]H)(Br)(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(C[6]C[6]O[6]H)(Br)(H)2	H(C[6]C[6]O[6]C)	107.4960	0.000	1	108.4535	1.834	2	108.4535	1.834	2	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:Cl-1:Cl-1:Cl-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCl3)(H)	C(C[6]C[6]O[6]H)(Cl)3	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(C[6]C[6]O[6]H)(Cl)3	H(C[6]C[6]O[6]C)	107.9100	0.588	2	107.8860	0.175	3	107.8860	0.175	3	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:Cl-1:Cl-1:Cl-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCl3)(H)	C(C[6]C[6]O[6]H)(Cl)3	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(C[6]C[6]O[6]H)(Cl)3	H(C[6]C[6]O[6]C)	107.8380	0.000	1	107.8860	0.175	3	107.8860	0.175	3	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:Cl-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CClHH)(H)	C(C[6]C[6]O[6]H)(Cl)(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(C[6]C[6]O[6]H)(Cl)(H)2	H(C[6]C[6]O[6]C)	109.9625	0.450	4	109.9625	0.203	4	109.4076	0.644	8	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:Cl-1:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6,6])(CClHH)(H)	C(C[6]C[6]O[6]H)(Cl)(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(C[6]C[6]O[6]H)(Cl)(H)2	H(C[6]C[6]O[6]C)	109.0680	0.000	1	109.0680	0.000	1	109.4076	0.644	8	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:Cl-1:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CClHH)(H)	C(C[6]C[6]O[6]H)(Cl)(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(C[6]C[6]O[6]H)(Cl)(H)2	H(C[6]C[6]O[6]C)	108.3340	0.000	1	108.7810	0.686	3	109.4076	0.644	8	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:Cl-1:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CClHH)(H)	C(C[6]C[6]O[6]H)(Cl)(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(C[6]C[6]O[6]H)(Cl)(H)2	H(C[6]C[6]O[6]C)	108.2720	0.000	1	108.7810	0.686	3	109.4076	0.644	8	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:Cl-1:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CClHH)(H)	C(C[6]C[6]O[6]H)(Cl)(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(C[6]C[6]O[6]H)(Cl)(H)2	H(C[6]C[6]O[6]C)	109.7370	0.000	1	108.7810	0.686	3	109.4076	0.644	8	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:F-1:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(CF3)(H)	C(C[6]C[6]O[6]H)(F)3	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(C[6]C[6]O[6]H)(F)3	H(C[6]C[6]O[6]C)	107.9920	0.000	1	107.9920	0.000	1	108.0183	0.765	7	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:F-1:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CF3)(H)	C(C[6]C[6]O[6]H)(F)3	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(C[6]C[6]O[6]H)(F)3	H(C[6]C[6]O[6]C)	107.9597	0.152	3	107.9597	0.023	3	108.0183	0.765	7	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:F-1:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CF3)(H)	C(C[6]C[6]O[6]H)(F)3	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(C[6]C[6]O[6]H)(F)3	H(C[6]C[6]O[6]C)	108.9495	0.206	2	108.9495	0.042	2	108.0183	0.765	7	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:F-1:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(O[6]C[6])(CF3)(H)	C(C[6]C[6]O[6]H)(F)3	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(C[6]C[6]O[6]H)(F)3	H(C[6]C[6]O[6]C)	106.3580	0.000	1	106.3580	0.000	1	108.0183	0.765	7	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:F-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CFHH)(H)	C(C[6]C[6]O[6]H)(F)(H)2	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(C[6]C[6]O[6]H)(F)(H)2	H(C[6]C[6]O[6]C)	109.0660	0.000	1	109.0660	0.000	1	109.0660	0.000	1	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HI)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	108.9320	0.000	1	108.9320	0.000	1	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(O[6]C[5,6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	109.8590	0.000	1	109.8590	0.000	1	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6,6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	109.6830	0.000	1	109.6710	0.005	7	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6,6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	109.6690	0.076	6	109.6710	0.005	7	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	110.1705	0.129	4	110.1705	0.017	4	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	107.3720	1.340	3	107.3720	1.795	3	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	108.5720	1.328	2	108.5720	1.763	2	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	111.4490	0.000	1	111.4490	0.000	1	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	108.8055	0.284	2	108.6457	0.117	3	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	108.3260	0.000	1	108.6457	0.117	3	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	109.0200	0.000	1	109.1880	0.056	2	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	109.3560	0.000	1	109.1880	0.056	2	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(O[6]C[6,6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	108.2450	0.000	1	108.2450	0.000	1	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	107.3885	0.094	2	107.3885	0.009	2	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]FH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	108.3970	0.000	1	108.3970	0.000	1	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	109.5790	0.938	3	109.0560	0.227	21	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	108.9924	0.321	17	109.0560	0.227	21	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	108.5680	0.000	1	109.0560	0.227	21	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]S[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	109.7510	0.000	1	109.7510	0.000	1	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	110.8490	0.000	1	108.9194	0.672	9	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	108.6783	0.412	8	108.9194	0.672	9	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	107.2305	0.989	2	107.2305	0.979	2	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[3x6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	109.0940	0.000	1	109.1440	0.005	2	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[3x6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	109.1940	0.000	1	109.1440	0.005	2	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6,6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	109.4010	0.000	1	109.2745	0.032	2	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6,6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	109.1480	0.000	1	109.2745	0.032	2	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	109.0500	0.000	1	109.2362	1.478	6	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	108.1540	0.000	1	109.2362	1.478	6	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	107.9370	0.000	1	109.2362	1.478	6	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	110.9450	0.000	1	109.2362	1.478	6	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	110.4430	0.000	1	109.2362	1.478	6	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	108.8880	0.000	1	109.2362	1.478	6	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	108.3770	0.000	1	107.4580	1.689	2	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	106.5390	0.000	1	107.4580	1.689	2	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	109.0970	0.000	1	108.8854	2.568	10	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	109.4290	0.000	1	108.8854	2.568	10	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	112.3190	0.000	1	108.8854	2.568	10	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	106.4910	0.000	1	108.8854	2.568	10	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	109.6900	0.000	1	108.8854	2.568	10	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	108.9110	0.000	1	108.8854	2.568	10	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	108.7110	0.220	3	108.8854	2.568	10	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	106.7840	0.000	1	108.8854	2.568	10	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	109.2110	0.000	1	109.5544	2.956	9	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	108.8905	0.128	2	109.5544	2.956	9	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	114.1280	0.000	1	109.5544	2.956	9	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	108.8770	0.000	1	109.5544	2.956	9	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	108.9600	0.109	2	109.5544	2.956	9	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	109.0250	0.000	1	109.5544	2.956	9	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	109.0480	0.000	1	109.5544	2.956	9	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	107.7615	2.791	2	109.0291	1.040	52	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	109.7160	0.000	1	109.0291	1.040	52	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	108.6140	0.000	1	109.0291	1.040	52	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	109.3856	0.224	5	109.0291	1.040	52	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	109.1557	0.205	12	109.0291	1.040	52	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	108.8646	0.225	8	109.0291	1.040	52	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	108.6700	0.000	1	109.0291	1.040	52	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	109.2030	1.428	3	109.0291	1.040	52	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	109.5370	0.000	1	109.0291	1.040	52	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	109.2570	0.000	1	109.0291	1.040	52	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	111.7110	0.000	1	109.0291	1.040	52	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	108.4720	2.516	5	109.0291	1.040	52	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	108.9823	0.255	11	109.0291	1.040	52	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]P[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	107.3295	3.204	2	107.9455	4.679	4	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]P[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	108.5615	1.501	2	107.9455	4.679	4	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]S[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	108.5550	0.000	1	108.5550	0.000	1	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HI)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	111.6490	0.000	1	111.6490	0.000	1	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	109.7640	0.000	1	109.1986	0.820	16	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	108.5287	0.668	6	109.1986	0.820	16	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	109.3410	0.000	1	109.1986	0.820	16	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	109.2990	0.160	7	109.1986	0.820	16	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	111.8080	0.000	1	109.1986	0.820	16	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[5,6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	106.6010	0.091	2	106.6010	0.008	2	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	113.8590	0.000	1	110.1685	6.069	4	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	108.9635	0.210	2	110.1685	6.069	4	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	108.8880	0.000	1	110.1685	6.069	4	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	108.7035	0.052	2	109.0796	0.281	81	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	108.3390	0.000	1	109.0796	0.281	81	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	109.3300	0.000	1	109.0796	0.281	81	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	109.9240	0.000	1	109.0796	0.281	81	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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|F<1>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	109.2010	0.000	1	109.0796	0.281	81	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	108.6685	0.084	2	109.0796	0.281	81	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	109.1577	1.035	10	109.0796	0.281	81	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	109.4533	0.365	3	109.0796	0.281	81	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	108.6115	0.387	2	109.0796	0.281	81	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	109.0995	0.487	4	109.0796	0.281	81	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	109.0722	0.417	48	109.0796	0.281	81	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	109.2150	0.000	1	109.0796	0.281	81	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	109.3357	0.359	3	109.0796	0.281	81	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	108.8330	0.182	2	109.0796	0.281	81	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	109.0140	0.000	1	109.0140	0.000	1	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(O[6]C[6,6a])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	107.9180	0.040	2	107.9180	0.002	2	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(O[6]C[6,6a])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	108.8530	0.395	2	108.8530	0.156	2	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(O[6]C[5,6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	109.3420	0.000	1	109.3420	0.000	1	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(O[6]C[6,6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	109.0680	0.000	1	109.0680	0.000	1	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	110.7490	0.000	1	110.7490	0.000	1	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	109.4700	0.429	4	109.3256	0.693	13	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	110.1675	1.378	2	109.3256	0.693	13	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	107.3230	0.000	1	109.3256	0.693	13	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	109.4447	0.148	3	109.3256	0.693	13	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	108.8290	0.000	1	109.3256	0.693	13	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	109.2660	0.089	2	109.3256	0.693	13	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]O[6,6]HH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	109.4810	0.000	1	109.4810	0.000	1	109.0572	1.031	275	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:I-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(O[6]C[6])(CHHI)(H)	C(C[6]C[6]O[6]H)(H)2(I)	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(C[6]C[6]O[6]H)(H)2(I)	H(C[6]C[6]O[6]C)	110.5670	0.000	1	110.5670	0.000	1	109.0498	1.083	6	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:I-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CHHI)(H)	C(C[6]C[6]O[6]H)(H)2(I)	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(C[6]C[6]O[6]H)(H)2(I)	H(C[6]C[6]O[6]C)	108.4940	0.000	1	108.3145	0.064	2	109.0498	1.083	6	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:I-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CHHI)(H)	C(C[6]C[6]O[6]H)(H)2(I)	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(C[6]C[6]O[6]H)(H)2(I)	H(C[6]C[6]O[6]C)	108.1350	0.000	1	108.3145	0.064	2	109.0498	1.083	6	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:I-1:	C[6]-4:	C[6](C[6]C[6]HI)(O[6]C[6])(CHHI)(H)	C(C[6]C[6]O[6]H)(H)2(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(C[6]C[6]O[6]H)(H)2(I)	H(C[6]C[6]O[6]C)	107.8960	0.000	1	107.8960	0.000	1	109.0498	1.083	6	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:I-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHI)(H)	C(C[6]C[6]O[6]H)(H)2(I)	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(C[6]C[6]O[6]H)(H)2(I)	H(C[6]C[6]O[6]C)	109.6035	0.146	2	109.6035	0.021	2	109.0498	1.083	6	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:O-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	C(C[6]C[6]O[6]H)(H)2(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(C[6]C[6]O[6]H)(H)2(O)	H(C[6]C[6]O[6]C)	107.1640	0.000	1	107.1640	0.000	1	109.0357	0.858	13	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:O-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(H)2(O)	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(C[6]C[6]O[6]H)(H)2(O)	H(C[6]C[6]O[6]C)	109.1917	0.769	12	109.1917	0.591	12	109.0357	0.858	13	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:S[6]-2:C-4:H-1:	C[6]-4:F-1:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6])(CF3)(H)	C(C[6]C[6]S[6]H)(F)3	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(C[6]C[6]S[6]H)(F)3	H(C[6]C[6]S[6]C)	107.9435	0.108	2	107.9435	0.012	2	107.9435	0.012	2	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:S[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[5,6])(CH3)(H)	C(C[6]C[6]S[6]H)(H)3	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(C[6]C[6]S[6]H)(H)3	H(C[6]C[6]S[6]C)	108.2970	1.226	2	108.2970	1.503	2	107.8453	4.021	206	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:S[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6])(CH3)(H)	C(C[6]C[6]S[6]H)(H)3	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(C[6]C[6]S[6]H)(H)3	H(C[6]C[6]S[6]C)	108.7145	0.254	2	108.6368	0.054	4	107.8453	4.021	206	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:S[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6])(CH3)(H)	C(C[6]C[6]S[6]H)(H)3	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(C[6]C[6]S[6]H)(H)3	H(C[6]C[6]S[6]C)	108.3680	0.000	1	108.6368	0.054	4	107.8453	4.021	206	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:S[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6])(CH3)(H)	C(C[6]C[6]S[6]H)(H)3	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(C[6]C[6]S[6]H)(H)3	H(C[6]C[6]S[6]C)	108.7500	0.000	1	108.6368	0.054	4	107.8453	4.021	206	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:S[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]CH)(S[6]C[5,6])(CH3)(H)	C(C[6]C[6]S[6]H)(H)3	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(C[6]C[6]S[6]H)(H)3	H(C[6]C[6]S[6]C)	107.8779	2.084	176	107.8779	4.342	176	107.8453	4.021	206	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:S[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]CH)(S[6]C[6])(CH3)(H)	C(C[6]C[6]S[6]H)(H)3	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(C[6]C[6]S[6]H)(H)3	H(C[6]C[6]S[6]C)	107.6413	1.218	23	107.6413	1.483	23	107.8453	4.021	206	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:S[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(S[6]C[5,6])(CH3)(H)	C(C[6]C[6]S[6]H)(H)3	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(C[6]C[6]S[6]H)(H)3	H(C[6]C[6]S[6]C)	102.7350	0.000	1	102.7350	0.000	1	107.8453	4.021	206	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:Se[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(Se[6]C[6])(CH3)(H)	C(C[6]Se[6]C[6]H)(H)3	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(C[6]Se[6]C[6]H)(H)3	H(C[6]Se[6]C[6]C)	108.6280	0.095	2	108.6280	0.009	2	108.6280	0.009	2	108.5691	2.427	587	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]B[6])(CHHO)(H)	C(C[6]C[5,6]O[6]H)(OH)(H)2	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]O[5]H)(O[6]B[6])(CHHO)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[5,6]O[6]H)(OH)(H)2	H(C[6]C[5,6]O[6]C)	109.7020	1.948	6	109.7020	3.796	6	109.0549	1.082	36	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHO)(H)	C(C[6]C[5,6]O[6]H)(OC)(H)2	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHO)(H){2|C<4>,2|H<1>,2|O<2>}	C(C[6]C[5,6]O[6]H)(OC)(H)2	H(C[6]C[5,6]O[6]C)	108.9026	0.342	5	108.9026	0.117	5	109.0549	1.082	36	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHO)(H)	C(C[6]C[5,6]O[6]H)(OH)(H)2	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHO)(H){2|C<4>,2|H<1>,2|O<2>}	C(C[6]C[5,6]O[6]H)(OH)(H)2	H(C[6]C[5,6]O[6]C)	109.3470	0.000	1	109.3470	0.000	1	109.0549	1.082	36	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHO)(H)	C(C[6]C[5,6]O[6]H)(OP)(H)2	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHO)(H){2|C<4>,2|H<1>,2|O<2>}	C(C[6]C[5,6]O[6]H)(OP)(H)2	H(C[6]C[5,6]O[6]C)	109.3317	0.220	10	109.3317	0.048	10	109.0549	1.082	36	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H)	C(C[6]C[5,6]O[6]H)(OC)(H)2	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H){1|C<4>,1|P<4>,2|H<1>,2|O<2>}	C(C[6]C[5,6]O[6]H)(OC)(H)2	H(C[6]C[5,6]O[6]C)	108.5670	0.000	1	108.7957	0.882	3	109.0549	1.082	36	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H)	C(C[6]C[5,6]O[6]H)(OC)(H)2	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H){1|O<2>,1|S<2>,2|C<4>,2|H<1>}	C(C[6]C[5,6]O[6]H)(OC)(H)2	H(C[6]C[5,6]O[6]C)	109.8280	0.000	1	108.7957	0.882	3	109.0549	1.082	36	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H)	C(C[6]C[5,6]O[6]H)(OC)(H)2	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H){2|C<4>,2|H<1>,2|O<2>}	C(C[6]C[5,6]O[6]H)(OC)(H)2	H(C[6]C[5,6]O[6]C)	107.9920	0.000	1	108.7957	0.882	3	109.0549	1.082	36	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H)	C(C[6]C[5,6]O[6]H)(OC[5])(H)2	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H){1|H<1>,1|O<2>,4|C<4>}	C(C[6]C[5,6]O[6]H)(OC[5])(H)2	H(C[6]C[5,6]O[6]C)	108.9630	0.000	1	108.9630	0.000	1	109.0549	1.082	36	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H)	C(C[6]C[5,6]O[6]H)(OH)(H)2	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[5,6]O[6]H)(OH)(H)2	H(C[6]C[5,6]O[6]C)	108.4690	0.000	1	108.7501	1.026	8	109.0549	1.082	36	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H)	C(C[6]C[5,6]O[6]H)(OH)(H)2	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[5,6]O[6]H)(OH)(H)2	H(C[6]C[5,6]O[6]C)	109.3165	1.944	2	108.7501	1.026	8	109.0549	1.082	36	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H)	C(C[6]C[5,6]O[6]H)(OH)(H)2	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H){1|O<1>,1|O<2>,3|C<4>}	C(C[6]C[5,6]O[6]H)(OH)(H)2	H(C[6]C[5,6]O[6]C)	109.8440	0.000	1	108.7501	1.026	8	109.0549	1.082	36	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H)	C(C[6]C[5,6]O[6]H)(OH)(H)2	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H){1|O<2>,1|S<2>,2|C<4>,2|H<1>}	C(C[6]C[5,6]O[6]H)(OH)(H)2	H(C[6]C[5,6]O[6]C)	108.5485	0.264	2	108.7501	1.026	8	109.0549	1.082	36	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H)	C(C[6]C[5,6]O[6]H)(OH)(H)2	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H){2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]O[6]H)(OH)(H)2	H(C[6]C[5,6]O[6]C)	107.7110	0.000	1	108.7501	1.026	8	109.0549	1.082	36	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H)	C(C[6]C[5,6]O[6]H)(OH)(H)2	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H){2|C<4>,2|H<1>,2|O<2>}	C(C[6]C[5,6]O[6]H)(OH)(H)2	H(C[6]C[5,6]O[6]C)	108.2470	0.000	1	108.7501	1.026	8	109.0549	1.082	36	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,5,6]O[5]H)(O[6]C[6])(CHHO)(H)	C(C[6]C[5,6]O[6]H)(OC)(H)2	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]N[5,5,6]O[5]H)(O[6]C[6])(CHHO)(H){1|H<1>,1|N<3>,3|C<4>}	C(C[6]C[5,6]O[6]H)(OC)(H)2	H(C[6]C[5,6]O[6]C)	107.6185	0.694	2	107.6185	0.481	2	109.0549	1.082	36	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(O[6]C[6])(CHHO)(H)	C(C[6]C[6,6]O[6]H)(OH)(H)2	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(C[6]C[6,6]O[6]H)(OH)(H)2	H(C[6]C[6,6]O[6]C)	107.4950	0.000	1	107.4950	0.000	1	107.7444	1.291	5	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6,6]C[3,6,6]C)(O[6]C[6])(CHHO)(H)	C(C[6]C[6,6]O[6]H)(OC)(H)2	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(C[6]C[6,6]O[6]H)(OC)(H)2	H(C[6]C[6,6]O[6]C)	106.0800	0.000	1	106.0800	0.000	1	107.7444	1.291	5	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]B[6])(CHHO)(H)	C(C[6]C[6,6]O[6]H)(OC)(H)2	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(C[6]C[6,6]O[6]H)(OC)(H)2	H(C[6]C[6,6]O[6]C)	107.9820	0.387	2	107.9820	0.150	2	107.7444	1.291	5	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(CHHO)(H)	C(C[6]C[6,6]O[6]H)(OH)(H)2	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(C[6]C[6,6]O[6]H)(OH)(H)2	H(C[6]C[6,6]O[6]C)	109.1830	0.000	1	109.1830	0.000	1	107.7444	1.291	5	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:N[6]-2:C-4:H-1:	C[6]-4:S-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(N[6]C[6])(CHHS)(H)	C(C[6]C[6]N[6]H)(SC[6a])(H)2	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(C[6]C[6]N[6]H)(SC[6a])(H)2	H(C[6]C[6]N[6]C)	109.8670	0.000	1	109.8670	0.000	1	109.8670	0.000	1	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CN)(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(C[6]C[6]O[6]H)(CN)(H)2	H(C[6]C[6]O[6]C)	108.8860	0.349	2	108.8860	0.122	2	108.8860	0.122	2	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:N-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(H)	C(C[6]C[6]O[6]H)(NC)(H)2	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(C[6]C[6]O[6]H)(NC)(H)2	H(C[6]C[6]O[6]C)	108.8773	0.315	4	108.8773	0.099	4	108.0565	12.207	9	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:N-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(H)	C(C[6]C[6]O[6]H)(NN)(H)2	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(C[6]C[6]O[6]H)(NN)(H)2	H(C[6]C[6]O[6]C)	111.2480	0.000	1	111.2480	0.000	1	108.0565	12.207	9	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:N-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CHHN)(H)	C(C[6]C[6]O[6]H)(NN)(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(C[6]C[6]O[6]H)(NN)(H)2	H(C[6]C[6]O[6]C)	108.9163	0.380	3	106.4379	24.667	4	108.0565	12.207	9	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:N-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CHHN)(H)	C(C[6]C[6]O[6]H)(NN)(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(C[6]C[6]O[6]H)(NN)(H)2	H(C[6]C[6]O[6]C)	99.0025	0.000	1	106.4379	24.667	4	108.0565	12.207	9	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	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(C[6]C[6]O[6]H)(OH)(H)2	H(C[6]C[6]O[6]C)	106.7727	0.223	3	106.7727	0.050	3	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[5,6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC[6a])(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(C[6]C[6]O[6]H)(OC[6a])(H)2	H(C[6]C[6]O[6]C)	108.3670	0.000	1	108.3670	0.000	1	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	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(C[6]C[6]O[6]H)(OC)(H)2	H(C[6]C[6]O[6]C)	109.4650	0.000	1	108.6585	1.301	2	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	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(C[6]C[6]O[6]H)(OC)(H)2	H(C[6]C[6]O[6]C)	107.8520	0.000	1	108.6585	1.301	2	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(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(C[6]C[6]O[6]H)(OC)(H)2	H(C[6]C[6]O[6]C)	109.7660	0.736	3	109.7660	0.542	3	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	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(C[6]C[6]O[6]H)(OC)(H)2	H(C[6]C[6]O[6]C)	108.2728	0.415	4	108.2728	0.172	4	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	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(C[6]C[6]O[6]H)(OC)(H)2	H(C[6]C[6]O[6]C)	109.4990	0.000	1	109.4990	0.000	1	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	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(C[6]C[6]O[6]H)(OH)(H)2	H(C[6]C[6]O[6]C)	109.1480	0.273	2	109.1480	0.074	2	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]FH)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	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(C[6]C[6]O[6]H)(OC)(H)2	H(C[6]C[6]O[6]C)	108.2780	0.000	1	108.2780	0.000	1	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(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(C[6]C[6]O[6]H)(OH)(H)2	H(C[6]C[6]O[6]C)	108.6860	0.042	2	108.6860	0.002	2	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	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(C[6]C[6]O[6]H)(OH)(H)2	H(C[6]C[6]O[6]C)	108.8150	0.000	1	108.8150	0.000	1	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	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(C[6]C[6]O[6]H)(OC)(H)2	H(C[6]C[6]O[6]C)	108.6990	0.222	4	108.6990	0.049	4	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	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(C[6]C[6]O[6]H)(OH)(H)2	H(C[6]C[6]O[6]C)	107.8940	0.363	2	107.8940	0.132	2	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]FF)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)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(C[6]C[6]O[6]H)(OC)(H)2	H(C[6]C[6]O[6]C)	109.4463	0.355	3	109.4463	0.126	3	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]FF)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)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(C[6]C[6]O[6]H)(OH)(H)2	H(C[6]C[6]O[6]C)	109.7864	0.557	5	109.7607	0.252	6	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]FF)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)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(C[6]C[6]O[6]H)(OH)(H)2	H(C[6]C[6]O[6]C)	109.6320	0.000	1	109.7607	0.252	6	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	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(C[6]C[6]O[6]H)(OH)(H)2	H(C[6]C[6]O[6]C)	109.3206	0.206	5	109.1602	0.188	6	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	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(C[6]C[6]O[6]H)(OH)(H)2	H(C[6]C[6]O[6]C)	108.3580	0.000	1	109.1602	0.188	6	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(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(C[6]C[6]O[6]H)(OH)(H)2	H(C[6]C[6]O[6]C)	108.2070	0.000	1	108.2070	0.000	1	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(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(C[6]C[6]O[6]H)(OH)(H)2	H(C[6]C[6]O[6]C)	109.5173	0.264	3	108.9040	1.551	4	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(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(C[6]C[6]O[6]H)(OH)(H)2	H(C[6]C[6]O[6]C)	107.0640	0.000	1	108.9040	1.551	4	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OSi)(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(C[6]C[6]O[6]H)(OSi)(H)2	H(C[6]C[6]O[6]C)	108.5430	0.000	1	108.7460	0.082	2	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OSi)(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(C[6]C[6]O[6]H)(OSi)(H)2	H(C[6]C[6]O[6]C)	108.9490	0.000	1	108.7460	0.082	2	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(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(C[6]C[6]O[6]H)(OC)(H)2	H(C[6]C[6]O[6]C)	107.6770	0.000	1	108.8736	0.829	20	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(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(C[6]C[6]O[6]H)(OC)(H)2	H(C[6]C[6]O[6]C)	109.5880	0.000	1	108.8736	0.829	20	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(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(C[6]C[6]O[6]H)(OC)(H)2	H(C[6]C[6]O[6]C)	108.8271	0.905	16	108.8736	0.829	20	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(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(C[6]C[6]O[6]H)(OC)(H)2	H(C[6]C[6]O[6]C)	109.4870	0.858	2	108.8736	0.829	20	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	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(C[6]C[6]O[6]H)(OC)(H)2	H(C[6]C[6]O[6]C)	109.2300	0.000	1	108.0890	3.861	3	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	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(C[6]C[6]O[6]H)(OC)(H)2	H(C[6]C[6]O[6]C)	105.8200	0.000	1	108.0890	3.861	3	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	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(C[6]C[6]O[6]H)(OC)(H)2	H(C[6]C[6]O[6]C)	109.2170	0.000	1	108.0890	3.861	3	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	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(C[6]C[6]O[6]H)(OH)(H)2	H(C[6]C[6]O[6]C)	111.8840	0.000	1	111.8840	0.000	1	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OSi)(H)2	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(C[6]C[6]O[6]H)(OSi)(H)2	H(C[6]C[6]O[6]C)	108.1920	0.000	1	108.1920	0.000	1	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[4,6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	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(C[6]C[6]O[6]H)(OC)(H)2	H(C[6]C[6]O[6]C)	110.4430	2.927	2	110.4430	8.570	2	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	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(C[6]C[6]O[6]H)(OC)(H)2	H(C[6]C[6]O[6]C)	108.1670	0.000	1	108.4753	1.066	4	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	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(C[6]C[6]O[6]H)(OC)(H)2	H(C[6]C[6]O[6]C)	109.2825	0.303	2	108.4753	1.066	4	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	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(C[6]C[6]O[6]H)(OC)(H)2	H(C[6]C[6]O[6]C)	107.1690	0.000	1	108.4753	1.066	4	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC[5])(H)2	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(C[6]C[6]O[6]H)(OC[5])(H)2	H(C[6]C[6]O[6]C)	106.5780	0.000	1	106.5780	0.000	1	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	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(C[6]C[6]O[6]H)(OH)(H)2	H(C[6]C[6]O[6]C)	110.7730	0.000	3	109.8057	3.742	4	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	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(C[6]C[6]O[6]H)(OH)(H)2	H(C[6]C[6]O[6]C)	106.9040	0.000	1	109.8057	3.742	4	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	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(C[6]C[6]O[6]H)(OC)(H)2	H(C[6]C[6]O[6]C)	109.9155	0.076	2	109.1076	0.369	9	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	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(C[6]C[6]O[6]H)(OC)(H)2	H(C[6]C[6]O[6]C)	108.6410	0.000	1	109.1076	0.369	9	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	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(C[6]C[6]O[6]H)(OC)(H)2	H(C[6]C[6]O[6]C)	109.4440	0.000	1	109.1076	0.369	9	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	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(C[6]C[6]O[6]H)(OC)(H)2	H(C[6]C[6]O[6]C)	108.7780	0.000	1	109.1076	0.369	9	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	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(C[6]C[6]O[6]H)(OC)(H)2	H(C[6]C[6]O[6]C)	108.8185	0.537	4	109.1076	0.369	9	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	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(C[6]C[6]O[6]H)(OH)(H)2	H(C[6]C[6]O[6]C)	108.8132	1.285	5	108.7951	0.669	12	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	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(C[6]C[6]O[6]H)(OH)(H)2	H(C[6]C[6]O[6]C)	108.9993	0.178	3	108.7951	0.669	12	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	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(C[6]C[6]O[6]H)(OH)(H)2	H(C[6]C[6]O[6]C)	108.6643	0.458	3	108.7951	0.669	12	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	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(C[6]C[6]O[6]H)(OH)(H)2	H(C[6]C[6]O[6]C)	108.4840	0.000	1	108.7951	0.669	12	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OSi)(H)2	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(C[6]C[6]O[6]H)(OSi)(H)2	H(C[6]C[6]O[6]C)	108.3385	0.712	2	108.3385	0.507	2	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	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(C[6]C[6]O[6]H)(OC)(H)2	H(C[6]C[6]O[6]C)	108.3200	0.000	1	109.0674	1.191	232	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	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(C[6]C[6]O[6]H)(OC)(H)2	H(C[6]C[6]O[6]C)	109.1380	0.164	2	109.0674	1.191	232	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	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(C[6]C[6]O[6]H)(OC)(H)2	H(C[6]C[6]O[6]C)	106.4150	0.000	1	109.0674	1.191	232	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	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(C[6]C[6]O[6]H)(OC)(H)2	H(C[6]C[6]O[6]C)	109.4000	0.000	2	109.0674	1.191	232	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	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(C[6]C[6]O[6]H)(OC)(H)2	H(C[6]C[6]O[6]C)	109.1295	0.804	2	109.0674	1.191	232	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	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(C[6]C[6]O[6]H)(OC)(H)2	H(C[6]C[6]O[6]C)	108.5257	0.478	6	109.0674	1.191	232	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	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(C[6]C[6]O[6]H)(OC)(H)2	H(C[6]C[6]O[6]C)	109.1183	0.479	4	109.0674	1.191	232	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	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(C[6]C[6]O[6]H)(OC)(H)2	H(C[6]C[6]O[6]C)	109.2760	0.000	1	109.0674	1.191	232	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	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(C[6]C[6]O[6]H)(OC)(H)2	H(C[6]C[6]O[6]C)	109.6730	0.000	1	109.0674	1.191	232	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	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(C[6]C[6]O[6]H)(OC)(H)2	H(C[6]C[6]O[6]C)	108.7252	0.551	10	109.0674	1.191	232	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	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(C[6]C[6]O[6]H)(OC)(H)2	H(C[6]C[6]O[6]C)	108.6614	0.981	30	109.0674	1.191	232	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	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(C[6]C[6]O[6]H)(OC)(H)2	H(C[6]C[6]O[6]C)	108.4780	0.000	1	109.0674	1.191	232	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	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(C[6]C[6]O[6]H)(OC)(H)2	H(C[6]C[6]O[6]C)	109.2343	0.785	28	109.0674	1.191	232	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	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(C[6]C[6]O[6]H)(OC)(H)2	H(C[6]C[6]O[6]C)	109.1745	0.826	4	109.0674	1.191	232	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	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(C[6]C[6]O[6]H)(OC)(H)2	H(C[6]C[6]O[6]C)	108.6530	0.083	2	109.0674	1.191	232	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	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(C[6]C[6]O[6]H)(OC)(H)2	H(C[6]C[6]O[6]C)	109.3671	1.214	109	109.0674	1.191	232	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	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(C[6]C[6]O[6]H)(OC)(H)2	H(C[6]C[6]O[6]C)	108.4716	0.716	10	109.0674	1.191	232	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	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(C[6]C[6]O[6]H)(OC)(H)2	H(C[6]C[6]O[6]C)	109.7000	0.441	2	109.0674	1.191	232	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	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(C[6]C[6]O[6]H)(OC)(H)2	H(C[6]C[6]O[6]C)	107.7470	1.416	2	109.0674	1.191	232	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	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(C[6]C[6]O[6]H)(OC)(H)2	H(C[6]C[6]O[6]C)	108.3017	1.275	10	109.0674	1.191	232	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	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(C[6]C[6]O[6]H)(OC)(H)2	H(C[6]C[6]O[6]C)	108.4035	0.456	2	109.0674	1.191	232	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	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(C[6]C[6]O[6]H)(OC)(H)2	H(C[6]C[6]O[6]C)	109.2035	0.541	2	109.0674	1.191	232	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC[6])(H)2	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(C[6]C[6]O[6]H)(OC[6])(H)2	H(C[6]C[6]O[6]C)	109.0058	0.612	5	109.0058	0.375	5	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC[6a])(H)2	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(C[6]C[6]O[6]H)(OC[6a])(H)2	H(C[6]C[6]O[6]C)	109.6470	0.000	1	109.6470	0.000	1	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	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(C[6]C[6]O[6]H)(OH)(H)2	H(C[6]C[6]O[6]C)	109.4155	0.812	2	109.2763	1.354	249	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	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(C[6]C[6]O[6]H)(OH)(H)2	H(C[6]C[6]O[6]C)	111.2240	0.000	1	109.2763	1.354	249	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	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(C[6]C[6]O[6]H)(OH)(H)2	H(C[6]C[6]O[6]C)	109.3000	0.000	1	109.2763	1.354	249	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	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(C[6]C[6]O[6]H)(OH)(H)2	H(C[6]C[6]O[6]C)	108.7790	0.000	1	109.2763	1.354	249	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	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(C[6]C[6]O[6]H)(OH)(H)2	H(C[6]C[6]O[6]C)	110.1710	0.000	1	109.2763	1.354	249	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	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(C[6]C[6]O[6]H)(OH)(H)2	H(C[6]C[6]O[6]C)	108.6971	0.548	17	109.2763	1.354	249	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	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(C[6]C[6]O[6]H)(OH)(H)2	H(C[6]C[6]O[6]C)	113.1610	0.000	1	109.2763	1.354	249	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	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(C[6]C[6]O[6]H)(OH)(H)2	H(C[6]C[6]O[6]C)	109.0247	0.682	11	109.2763	1.354	249	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	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(C[6]C[6]O[6]H)(OH)(H)2	H(C[6]C[6]O[6]C)	108.4280	0.482	2	109.2763	1.354	249	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	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(C[6]C[6]O[6]H)(OH)(H)2	H(C[6]C[6]O[6]C)	107.9360	1.411	3	109.2763	1.354	249	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	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(C[6]C[6]O[6]H)(OH)(H)2	H(C[6]C[6]O[6]C)	109.3496	1.156	206	109.2763	1.354	249	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	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(C[6]C[6]O[6]H)(OH)(H)2	H(C[6]C[6]O[6]C)	110.3230	0.000	1	109.2763	1.354	249	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	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(C[6]C[6]O[6]H)(OH)(H)2	H(C[6]C[6]O[6]C)	107.1025	1.694	2	109.2763	1.354	249	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OS)(H)2	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(C[6]C[6]O[6]H)(OS)(H)2	H(C[6]C[6]O[6]C)	109.5687	0.340	6	109.5687	0.116	6	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OSi)(H)2	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(C[6]C[6]O[6]H)(OSi)(H)2	H(C[6]C[6]O[6]C)	107.5360	0.000	1	108.1442	0.207	4	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OSi)(H)2	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(C[6]C[6]O[6]H)(OSi)(H)2	H(C[6]C[6]O[6]C)	108.2035	0.067	2	108.1442	0.207	4	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OSi)(H)2	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(C[6]C[6]O[6]H)(OSi)(H)2	H(C[6]C[6]O[6]C)	108.6340	0.000	1	108.1442	0.207	4	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]P[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	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(C[6]C[6]O[6]H)(OC)(H)2	H(C[6]C[6]O[6]C)	107.9400	0.000	1	108.1130	0.023	3	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]P[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	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(C[6]C[6]O[6]H)(OC)(H)2	H(C[6]C[6]O[6]C)	108.1995	0.013	2	108.1130	0.023	3	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OSi)(H)2	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(C[6]C[6]O[6]H)(OSi)(H)2	H(C[6]C[6]O[6]C)	108.9955	0.466	2	108.9955	0.217	2	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC[6a])(H)2	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(C[6]C[6]O[6]H)(OC[6a])(H)2	H(C[6]C[6]O[6]C)	108.7560	0.000	1	108.7560	0.000	1	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(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(C[6]C[6]O[6]H)(OC)(H)2	H(C[6]C[6]O[6]C)	109.2980	0.000	1	109.2980	0.000	1	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(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(C[6]C[6]O[6]H)(OH)(H)2	H(C[6]C[6]O[6]C)	109.3070	0.000	1	109.3070	0.000	1	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]CC)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC[6a])(H)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(C[6]C[6]O[6]H)(OC[6a])(H)2	H(C[6]C[6]O[6]C)	109.5825	0.204	2	109.5825	0.042	2	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	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(C[6]C[6]O[6]H)(OH)(H)2	H(C[6]C[6]O[6]C)	107.2245	0.036	2	107.2245	0.001	2	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(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(C[6]C[6]O[6]H)(OH)(H)2	H(C[6]C[6]O[6]C)	108.8010	1.325	4	108.8010	1.756	4	109.1090	1.244	620	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:S-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CHHS)(H)	C(C[6]C[6]O[6]H)(SMo)(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(C[6]C[6]O[6]H)(SMo)(H)2	H(C[6]C[6]O[6]C)	106.6350	0.000	1	106.6350	0.000	1	107.8710	3.730	4	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:S-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CHHS)(H)	C(C[6]C[6]O[6]H)(SW)(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(C[6]C[6]O[6]H)(SW)(H)2	H(C[6]C[6]O[6]C)	106.2740	0.000	1	106.2740	0.000	1	107.8710	3.730	4	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:S-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHS)(H)	C(C[6]C[6]O[6]H)(SC)(H)2	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(C[6]C[6]O[6]H)(SC)(H)2	H(C[6]C[6]O[6]C)	109.2875	1.760	2	109.2875	3.098	2	107.8710	3.730	4	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:Se-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(O[6]C[6])(CSeHH)(H)	C(C[6]C[6]O[6]H)(SeC[6a])(H)2	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(C[6]C[6]O[6]H)(SeC[6a])(H)2	H(C[6]C[6]O[6]C)	109.5730	0.000	1	109.5730	0.000	1	109.5730	0.000	1	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:S[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(S[6]C[6])(CHHO)(H)	C(C[6]C[6]S[6]H)(OH)(H)2	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(C[6]C[6]S[6]H)(OH)(H)2	H(C[6]C[6]S[6]C)	107.6555	0.572	2	107.6555	0.327	2	107.1097	0.578	7	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:S[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]CH)(S[6]C[5,6])(CHHO)(H)	C(C[6]C[6]S[6]H)(OH)(H)2	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(C[6]C[6]S[6]H)(OH)(H)2	H(C[6]C[6]S[6]C)	106.8435	0.868	4	106.8435	0.753	4	107.1097	0.578	7	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:S[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(S[6]C[5,6])(CHHO)(H)	C(C[6]C[6]S[6]H)(OC)(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(C[6]C[6]S[6]H)(OC)(H)2	H(C[6]C[6]S[6]C)	107.0830	0.000	1	107.0830	0.000	1	107.1097	0.578	7	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:S[6]-2:C-4:H-1:	C[6]-4:S-2:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(S[6]C[5,6])(CHHS)(H)	C(C[6]C[6]S[6]H)(SC[6a])(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(C[6]C[6]S[6]H)(SC[6a])(H)2	H(C[6]C[6]S[6]C)	107.7840	0.000	1	107.7840	0.000	1	107.7840	0.000	1	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:Se[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(Se[6]Se[6])(CHHO)(H)	C(C[6]Se[6]C[6]H)(OC)(H)2	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(C[6]Se[6]C[6]H)(OC)(H)2	H(C[6]Se[6]C[6]C)	107.7605	0.043	2	107.7605	0.002	2	107.7605	0.002	2	109.0503	1.431	688	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:2:2:1:	4:	C[5,6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:O-2:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(O[6]C[6])(CHOO)(H)	C(C[6]C[5,6,6]O[6]H)(OH)(OO)(H)	H(C[6]C[5,6,6]O[6]C)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(O[6]C[6])(CHOO)(H){1|C<3>,1|O<2>,3|H<1>,6|C<4>}	C(C[6]C[5,6,6]O[6]H)(OH)(OO)(H)	H(C[6]C[5,6,6]O[6]C)	107.5460	0.000	1	107.5460	0.000	1	107.5460	0.000	1	107.5460	0.000	1	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5,5,6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6]-4:	C[6](C[5,5,6,6]C[3,5,6]C[5,6,6]O[5,5])(O[6]C[6])(CHHN)(H)	C(C[6]C[5,5,6,6]O[6]H)(NOO)(H)2	H(C[6]C[5,5,6,6]O[6]C)	C[6](C[5,5,6,6]C[3,5,6]C[5,6,6]O[5,5])(O[6]C[6])(CHHN)(H){1|O<2>,4|C<4>,4|H<1>}	C(C[6]C[5,5,6,6]O[6]H)(NOO)(H)2	H(C[6]C[5,5,6,6]O[6]C)	108.9950	0.840	2	108.9950	0.706	2	108.9950	0.706	2	109.0226	1.139	92	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6])(CCHH)(H)	C(C[6]C[5,6]O[6]H)(CCH)(H)2	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6])(CCHH)(H){1|Si<4>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[6]C[5,6]O[6]H)(CCH)(H)2	H(C[6]C[5,6]O[6]C)	106.0440	0.000	1	106.0440	0.000	1	106.0440	0.000	1	109.0226	1.139	92	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHN)(H)	C(C[6]C[5,6]O[6]H)(NC[6a]C)(H)2	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHN)(H){2|C<4>,2|H<1>,2|O<2>}	C(C[6]C[5,6]O[6]H)(NC[6a]C)(H)2	H(C[6]C[5,6]O[6]C)	109.5347	1.523	3	109.5347	2.319	3	109.5347	2.319	3	109.0226	1.139	92	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:3:1:1:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:N[5a]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CN[5a]HH)(H)	C(C[6]C[5,6]O[6]H)(N[5a]C[5a]N[5a])(H)2	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CN[5a]HH)(H){2|C<4>,2|H<1>,2|O<2>}	C(C[6]C[5,6]O[6]H)(N[5a]C[5a]N[5a])(H)2	H(C[6]C[5,6]O[6]C)	108.9730	0.511	2	108.9730	0.261	2	108.9730	0.261	2	109.0226	1.139	92	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:3:1:1:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(O[6]C[6])(CCHH)(H)	C(C[6]C[6,6]O[6]H)(COO)(H)2	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(C[6]C[6,6]O[6]H)(COO)(H)2	H(C[6]C[6,6]O[6]C)	109.5500	0.000	1	109.5500	0.000	1	109.5500	0.000	1	109.0226	1.139	92	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:3:1:1:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CC[6]HH)(H)	C(C[6]C[6,6]O[6]H)(C[6]C[3,6]C[6])(H)2	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(C[6]C[6,6]O[6]H)(C[6]C[3,6]C[6])(H)2	H(C[6]C[6,6]O[6]C)	108.0490	0.000	1	108.0490	0.000	1	108.1755	0.032	2	109.0226	1.139	92	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:3:1:1:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CC[6]HH)(H)	C(C[6]C[6,6]O[6]H)(C[6]C[5,6]C[6])(H)2	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(C[6]C[6,6]O[6]H)(C[6]C[5,6]C[6])(H)2	H(C[6]C[6,6]O[6]C)	108.3020	0.000	1	108.3020	0.000	1	108.1755	0.032	2	109.0226	1.139	92	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CBrCH)(H)	C(C[6]C[6]O[6]H)(CC[5a]O)(Br)(H)	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(C[6]C[6]O[6]H)(CC[5a]O)(Br)(H)	H(C[6]C[6]O[6]C)	109.3255	0.207	2	109.3255	0.043	2	109.3255	0.043	2	109.0226	1.139	92	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCFF)(H)	C(C[6]C[6]O[6]H)(COO)(F)2	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(C[6]C[6]O[6]H)(COO)(F)2	H(C[6]C[6]O[6]C)	106.0950	0.000	1	106.0950	0.000	1	106.0950	0.000	1	109.0226	1.139	92	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCFH)(H)	C(C[6]C[6]O[6]H)(CCH)(F)(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(C[6]C[6]O[6]H)(CCH)(F)(H)	H(C[6]C[6]O[6]C)	109.4170	0.000	1	109.4170	0.000	1	109.4170	0.000	1	109.0226	1.139	92	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HO)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(COO)(H)2	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(C[6]C[6]O[6]H)(COO)(H)2	H(C[6]C[6]O[6]C)	108.9390	0.000	2	108.9390	0.000	2	109.0960	1.017	60	109.0226	1.139	92	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(COO)(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(C[6]C[6]O[6]H)(COO)(H)2	H(C[6]C[6]O[6]C)	110.0800	0.000	1	110.0800	0.000	1	109.0960	1.017	60	109.0226	1.139	92	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(O[6]C[3x6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCO)(H)2	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(C[6]C[6]O[6]H)(CCO)(H)2	H(C[6]C[6]O[6]C)	108.7540	0.000	1	108.7540	0.000	1	109.0960	1.017	60	109.0226	1.139	92	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(COO)(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(C[6]C[6]O[6]H)(COO)(H)2	H(C[6]C[6]O[6]C)	109.4495	0.251	2	109.4495	0.063	2	109.0960	1.017	60	109.0226	1.139	92	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCH)(H)2	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(C[6]C[6]O[6]H)(CCH)(H)2	H(C[6]C[6]O[6]C)	109.2610	0.000	1	109.2610	0.000	1	109.0960	1.017	60	109.0226	1.139	92	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(COO)(H)2	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(C[6]C[6]O[6]H)(COO)(H)2	H(C[6]C[6]O[6]C)	108.1940	1.272	3	108.1940	1.618	3	109.0960	1.017	60	109.0226	1.139	92	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CC[6a]O)(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(C[6]C[6]O[6]H)(CC[6a]O)(H)2	H(C[6]C[6]O[6]C)	109.6680	0.000	1	109.6680	0.000	1	109.0960	1.017	60	109.0226	1.139	92	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(COO)(H)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(C[6]C[6]O[6]H)(COO)(H)2	H(C[6]C[6]O[6]C)	108.3430	0.000	1	108.3430	0.000	1	109.0960	1.017	60	109.0226	1.139	92	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCO)(H)2	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(C[6]C[6]O[6]H)(CCO)(H)2	H(C[6]C[6]O[6]C)	109.0190	0.000	1	109.0190	0.000	1	109.0960	1.017	60	109.0226	1.139	92	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(COO)(H)2	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(C[6]C[6]O[6]H)(COO)(H)2	H(C[6]C[6]O[6]C)	106.4620	0.000	1	108.3542	1.216	5	109.0960	1.017	60	109.0226	1.139	92	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(COO)(H)2	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(C[6]C[6]O[6]H)(COO)(H)2	H(C[6]C[6]O[6]C)	109.0240	0.102	2	108.3542	1.216	5	109.0960	1.017	60	109.0226	1.139	92	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(COO)(H)2	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(C[6]C[6]O[6]H)(COO)(H)2	H(C[6]C[6]O[6]C)	108.6305	0.473	2	108.3542	1.216	5	109.0960	1.017	60	109.0226	1.139	92	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCO)(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(C[6]C[6]O[6]H)(CCO)(H)2	H(C[6]C[6]O[6]C)	109.1220	0.000	1	109.1220	0.000	1	109.0960	1.017	60	109.0226	1.139	92	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(H)	C(C[6]C[6]O[6]H)(COO)(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(C[6]C[6]O[6]H)(COO)(H)2	H(C[6]C[6]O[6]C)	109.3207	0.198	3	109.3207	0.039	3	109.0960	1.017	60	109.0226	1.139	92	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(H)	C(C[6]C[6]O[6]H)(COS)(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(C[6]C[6]O[6]H)(COS)(H)2	H(C[6]C[6]O[6]C)	109.9020	0.000	1	109.9020	0.000	1	109.0960	1.017	60	109.0226	1.139	92	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCH)(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(C[6]C[6]O[6]H)(CCH)(H)2	H(C[6]C[6]O[6]C)	109.0280	0.000	1	109.0280	0.000	1	109.0960	1.017	60	109.0226	1.139	92	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCO)(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(C[6]C[6]O[6]H)(CCO)(H)2	H(C[6]C[6]O[6]C)	109.2700	0.000	1	109.2700	0.000	1	109.0960	1.017	60	109.0226	1.139	92	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CC[6a]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<3>,1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CC[6a]O)(H)2	H(C[6]C[6]O[6]C)	108.6250	0.000	1	108.9893	0.162	9	109.0960	1.017	60	109.0226	1.139	92	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CC[6a]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<3>,1|C<4>,3|H<1>}	C(C[6]C[6]O[6]H)(CC[6a]O)(H)2	H(C[6]C[6]O[6]C)	108.7810	0.512	2	108.9893	0.162	9	109.0960	1.017	60	109.0226	1.139	92	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CC[6a]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<4>,1|O<2>,3|H<1>}	C(C[6]C[6]O[6]H)(CC[6a]O)(H)2	H(C[6]C[6]O[6]C)	109.1500	0.000	1	108.9893	0.162	9	109.0960	1.017	60	109.0226	1.139	92	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CC[6a]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<4>,4|H<1>}	C(C[6]C[6]O[6]H)(CC[6a]O)(H)2	H(C[6]C[6]O[6]C)	108.9640	0.516	3	108.9893	0.162	9	109.0960	1.017	60	109.0226	1.139	92	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CC[6a]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|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CC[6a]O)(H)2	H(C[6]C[6]O[6]C)	109.3375	0.110	2	108.9893	0.162	9	109.0960	1.017	60	109.0226	1.139	92	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(COO)(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(C[6]C[6]O[6]H)(COO)(H)2	H(C[6]C[6]O[6]C)	109.1430	0.000	1	109.2590	0.166	6	109.0960	1.017	60	109.0226	1.139	92	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(COO)(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(C[6]C[6]O[6]H)(COO)(H)2	H(C[6]C[6]O[6]C)	109.5385	0.074	2	109.2590	0.166	6	109.0960	1.017	60	109.0226	1.139	92	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(COO)(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(C[6]C[6]O[6]H)(COO)(H)2	H(C[6]C[6]O[6]C)	108.5360	0.000	1	109.2590	0.166	6	109.0960	1.017	60	109.0226	1.139	92	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(COO)(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(C[6]C[6]O[6]H)(COO)(H)2	H(C[6]C[6]O[6]C)	109.3990	0.304	2	109.2590	0.166	6	109.0960	1.017	60	109.0226	1.139	92	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]P[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCC)(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(C[6]C[6]O[6]H)(CCC)(H)2	H(C[6]C[6]O[6]C)	109.6595	1.075	4	109.6595	1.157	4	109.0960	1.017	60	109.0226	1.139	92	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCO)(H)2	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(C[6]C[6]O[6]H)(CCO)(H)2	H(C[6]C[6]O[6]C)	109.6600	0.000	1	109.6600	0.000	1	109.0960	1.017	60	109.0226	1.139	92	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCH)(H)2	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(C[6]C[6]O[6]H)(CCH)(H)2	H(C[6]C[6]O[6]C)	109.2620	0.000	1	109.2620	0.000	1	109.0960	1.017	60	109.0226	1.139	92	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCO)(H)2	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(C[6]C[6]O[6]H)(CCO)(H)2	H(C[6]C[6]O[6]C)	110.6705	1.466	2	110.6705	2.149	2	109.0960	1.017	60	109.0226	1.139	92	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCH)(H)2	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(C[6]C[6]O[6]H)(CCH)(H)2	H(C[6]C[6]O[6]C)	106.9345	0.630	2	106.9345	0.397	2	109.0960	1.017	60	109.0226	1.139	92	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCO)(H)2	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(C[6]C[6]O[6]H)(CCO)(H)2	H(C[6]C[6]O[6]C)	109.8570	0.000	1	108.2517	1.937	3	109.0960	1.017	60	109.0226	1.139	92	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCO)(H)2	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(C[6]C[6]O[6]H)(CCO)(H)2	H(C[6]C[6]O[6]C)	107.4490	0.096	2	108.2517	1.937	3	109.0960	1.017	60	109.0226	1.139	92	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(COO)(H)2	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(C[6]C[6]O[6]H)(COO)(H)2	H(C[6]C[6]O[6]C)	108.8815	0.054	2	109.0420	0.079	3	109.0960	1.017	60	109.0226	1.139	92	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(COO)(H)2	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(C[6]C[6]O[6]H)(COO)(H)2	H(C[6]C[6]O[6]C)	109.3630	0.000	1	109.0420	0.079	3	109.0960	1.017	60	109.0226	1.139	92	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CC[6a]O)(H)2	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(C[6]C[6]O[6]H)(CC[6a]O)(H)2	H(C[6]C[6]O[6]C)	109.0230	0.000	1	109.0230	0.000	1	109.0960	1.017	60	109.0226	1.139	92	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CC[6]O)(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(C[6]C[6]O[6]H)(CC[6]O)(H)2	H(C[6]C[6]O[6]C)	109.8590	0.000	1	109.8590	0.000	1	109.0960	1.017	60	109.0226	1.139	92	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(COO)(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(C[6]C[6]O[6]H)(COO)(H)2	H(C[6]C[6]O[6]C)	112.5630	0.000	1	112.5630	0.000	1	109.0960	1.017	60	109.0226	1.139	92	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]N[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CC[6a]O)(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(C[6]C[6]O[6]H)(CC[6a]O)(H)2	H(C[6]C[6]O[6]C)	109.6690	0.000	1	109.6690	0.000	1	109.0960	1.017	60	109.0226	1.139	92	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(H)	C(C[6]C[6]O[6]H)(NCC)(H)2	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(C[6]C[6]O[6]H)(NCC)(H)2	H(C[6]C[6]O[6]C)	107.8430	0.000	1	107.8430	0.000	1	108.2645	0.730	6	109.0226	1.139	92	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(H)	C(C[6]C[6]O[6]H)(NCH)(H)2	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(C[6]C[6]O[6]H)(NCH)(H)2	H(C[6]C[6]O[6]C)	108.7745	0.207	2	108.7745	0.043	2	108.2645	0.730	6	109.0226	1.139	92	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(O[6]C[6])(CHHN)(H)	C(C[6]C[6]O[6]H)(NCH)(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(C[6]C[6]O[6]H)(NCH)(H)2	H(C[6]C[6]O[6]C)	109.2420	0.000	1	109.2420	0.000	1	108.2645	0.730	6	109.0226	1.139	92	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CHHN)(H)	C(C[6]C[6]O[6]H)(NCH)(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(C[6]C[6]O[6]H)(NCH)(H)2	H(C[6]C[6]O[6]C)	108.0740	0.000	1	108.0740	0.000	1	108.2645	0.730	6	109.0226	1.139	92	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(O[6]C[6])(CHHN)(H)	C(C[6]C[6]O[6]H)(NCC)(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(C[6]C[6]O[6]H)(NCC)(H)2	H(C[6]C[6]O[6]C)	106.8790	0.000	1	106.8790	0.000	1	108.2645	0.730	6	109.0226	1.139	92	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:N[5]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CN[5]HH)(H)	C(C[6]C[6]O[6]H)(N[5]C[5]2)(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(C[6]C[6]O[6]H)(N[5]C[5]2)(H)2	H(C[6]C[6]O[6]C)	111.3600	0.000	1	109.8120	4.793	2	109.3995	1.389	6	109.0226	1.139	92	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:N[5]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CN[5]HH)(H)	C(C[6]C[6]O[6]H)(N[5]C[5]2)(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(C[6]C[6]O[6]H)(N[5]C[5]2)(H)2	H(C[6]C[6]O[6]C)	108.2640	0.000	1	109.8120	4.793	2	109.3995	1.389	6	109.0226	1.139	92	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:N[5]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CN[5]HH)(H)	C(C[6]C[6]O[6]H)(N[5]C[5]2)(H)2	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(C[6]C[6]O[6]H)(N[5]C[5]2)(H)2	H(C[6]C[6]O[6]C)	109.1933	0.740	4	109.1933	0.548	4	109.3995	1.389	6	109.0226	1.139	92	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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]C[6]HO)(O[6]C[6])(CN[6]HH)(H)	C(C[6]C[6]O[6]H)(N[6]C[6]2)(H)2	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(C[6]C[6]O[6]H)(N[6]C[6]2)(H)2	H(C[6]C[6]O[6]C)	109.8200	0.536	2	109.8200	0.287	2	109.8200	0.287	2	109.0226	1.139	92	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:Se-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CSeHH)(H)	C(C[6]C[6]O[6]H)(SeOO)(H)2	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(C[6]C[6]O[6]H)(SeOO)(H)2	H(C[6]C[6]O[6]C)	109.9300	0.000	1	109.9300	0.000	1	109.9300	0.000	1	109.0226	1.139	92	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:S[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6])(CCHH)(H)	C(C[6]C[6]S[6]H)(CC[6a]O)(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(C[6]C[6]S[6]H)(CC[6a]O)(H)2	H(C[6]C[6]S[6]C)	109.0555	0.285	2	109.0555	0.081	2	109.0555	0.081	2	109.0226	1.139	92	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:3:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHO)(H)	C(C[6]C[6]O[6]H)(CNO)(OC)(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(C[6]C[6]O[6]H)(CNO)(OC)(H)	H(C[6]C[6]O[6]C)	109.0690	0.000	1	109.0690	0.000	1	109.1805	0.025	2	109.8940	1.540	3	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:3:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(CCHO)(H)	C(C[6]C[6]O[6]H)(CCH)(OH)(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(C[6]C[6]O[6]H)(CCH)(OH)(H)	H(C[6]C[6]O[6]C)	109.2920	0.000	1	109.2920	0.000	1	109.1805	0.025	2	109.8940	1.540	3	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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])(CC[6]HO)(H)	C(C[6]C[6]O[6]H)(C[6]C[6]2)(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(C[6]C[6]O[6]H)(C[6]C[6]2)(OC)(H)	H(C[6]C[6]O[6]C)	111.3210	0.000	1	111.3210	0.000	1	111.3210	0.000	1	109.8940	1.540	3	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:3:3:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHN)(H)	C(C[6]C[6]O[6]H)(COO)(NCH)(H)	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(C[6]C[6]O[6]H)(COO)(NCH)(H)	H(C[6]C[6]O[6]C)	109.0380	0.000	1	109.0380	0.000	1	109.0380	0.000	1	109.0380	0.000	1	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:3:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CC[6a]O)(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(C[6]C[6]O[6]H)(CC[6a]O)(CH3)(H)	H(C[6]C[6]O[6]C)	108.9190	0.000	1	108.9190	0.000	1	108.9190	0.000	1	108.9190	0.000	1	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[3,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6])(CCHH)(H)	C(C[6]C[3,6]O[6]H)(CC[6a]HH)(H)2	H(C[6]C[3,6]O[6]C)	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6])(CCHH)(H){2|H<1>,3|C<3>}	C(C[6]C[3,6]O[6]H)(CC[6a]HH)(H)2	H(C[6]C[3,6]O[6]C)	108.4760	0.000	1	108.4760	0.000	1	108.4760	0.000	1	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[3x6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:I-1:	C[6]-4:	C[6](C[3x6]C[4,6,6]C[3x6]C)(O[6]C[6])(CCHI)(H)	C(C[6]C[3x6]O[6]H)(CC[6a]HO)(H)(I)	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(C[6]C[3x6]O[6]H)(CC[6a]HO)(H)(I)	H(C[6]C[3x6]O[6]C)	107.2960	0.000	1	107.2960	0.000	1	107.2960	0.000	1	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CCHH)(H)	C(C[6]C[5,6]O[6]H)(CCCH)(H)2	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CCHH)(H){1|O<1>,1|O<2>,5|C<4>}	C(C[6]C[5,6]O[6]H)(CCCH)(H)2	H(C[6]C[5,6]O[6]C)	106.1665	0.268	2	106.1665	0.072	2	108.0743	4.271	7	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CCHH)(H)	C(C[6]C[5,6]O[6]H)(CCCH)(H)2	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CCHH)(H){2|C<4>,2|H<1>,2|O<2>}	C(C[6]C[5,6]O[6]H)(CCCH)(H)2	H(C[6]C[5,6]O[6]C)	108.8350	0.000	1	108.8350	0.000	1	108.0743	4.271	7	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CCHH)(H)	C(C[6]C[5,6]O[6]H)(CHSS)(H)2	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CCHH)(H){2|C<4>,2|H<1>,2|O<2>}	C(C[6]C[5,6]O[6]H)(CHSS)(H)2	H(C[6]C[5,6]O[6]C)	112.2010	0.000	1	112.2010	0.000	1	108.0743	4.271	7	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(CCHH)(H)	C(C[6]C[5,6]O[6]H)(CCHH)(H)2	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(CCHH)(H){1|O<2>,2|H<1>,3|C<4>}	C(C[6]C[5,6]O[6]H)(CCHH)(H)2	H(C[6]C[5,6]O[6]C)	107.5675	0.387	2	107.5675	0.150	2	108.0743	4.271	7	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(O[6]C[6])(CCHH)(H)	C(C[6]C[5,6]O[6]H)(CH3)(H)2	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(O[6]C[6])(CCHH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C(C[6]C[5,6]O[6]H)(CH3)(H)2	H(C[6]C[5,6]O[6]C)	108.0160	0.000	1	108.0160	0.000	1	108.0743	4.271	7	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:N-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHN)(H)	C(C[6]C[5,6]O[6]H)(NBHO)(H)2	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHN)(H){2|C<4>,2|H<1>,2|O<2>}	C(C[6]C[5,6]O[6]H)(NBHO)(H)2	H(C[6]C[5,6]O[6]C)	109.3760	0.000	1	109.3760	0.000	1	109.3760	0.000	1	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CCHH)(H)	C(C[6]C[6,6]O[6]H)(CCHH)(H)2	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(C[6]C[6,6]O[6]H)(CCHH)(H)2	H(C[6]C[6,6]O[6]C)	108.3140	0.000	1	108.3140	0.000	1	107.2850	2.118	2	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(O[6]C[6])(CCHH)(H)	C(C[6]C[6,6]O[6]H)(CCHH)(H)2	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(C[6]C[6,6]O[6]H)(CCHH)(H)2	H(C[6]C[6,6]O[6]C)	106.2560	0.000	1	106.2560	0.000	1	107.2850	2.118	2	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CC[6]HH)(H)	C(C[6]C[6,6]O[6]H)(C[6]C[6]O[6]C)(H)2	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(C[6]C[6,6]O[6]H)(C[6]C[6]O[6]C)(H)2	H(C[6]C[6,6]O[6]C)	108.3350	0.000	1	108.3350	0.000	1	108.3350	0.000	1	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]S[6])(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHH)(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(C[6]C[6]N[6]H)(CCHH)(H)2	H(C[6]C[6]N[6]C)	108.9870	0.025	2	108.9870	0.001	2	108.9870	0.001	2	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[5]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]FF)(O[6]C[6])(CC[5]HH)(H)	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]H)(H)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(C[5]C[5]O[5]H)(C[6]C[6]O[6]H)(H)2	H(C[6]C[6]O[6]C)	112.1330	0.000	1	112.1330	0.000	1	112.1330	0.000	1	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CC[5]HH)(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(C[6]C[6]O[6]H)(CC[5]HH)(H)2	H(C[6]C[6]O[6]C)	107.3260	0.296	2	107.3260	0.087	2	108.4671	1.316	102	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HI)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCHH)(H)2	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(C[6]C[6]O[6]H)(CCHH)(H)2	H(C[6]C[6]O[6]C)	109.4445	0.012	2	109.4445	0.000	2	108.4671	1.316	102	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CC[6]HH)(H)2	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(C[6]C[6]O[6]H)(CC[6]HH)(H)2	H(C[6]C[6]O[6]C)	110.1490	0.000	1	110.1490	0.000	1	108.4671	1.316	102	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CC[6]HH)(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(C[6]C[6]O[6]H)(CC[6]HH)(H)2	H(C[6]C[6]O[6]C)	106.9390	0.000	1	106.9390	0.000	1	108.4671	1.316	102	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CC[6a]HH)(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(C[6]C[6]O[6]H)(CC[6a]HH)(H)2	H(C[6]C[6]O[6]C)	107.5310	2.356	2	107.5310	5.551	2	108.4671	1.316	102	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]FH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCHH)(H)2	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(C[6]C[6]O[6]H)(CCHH)(H)2	H(C[6]C[6]O[6]C)	108.3840	0.000	1	108.3840	0.000	1	108.4671	1.316	102	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6,6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCHH)(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(C[6]C[6]O[6]H)(CCHH)(H)2	H(C[6]C[6]O[6]C)	110.3710	0.000	1	110.3710	0.000	1	108.4671	1.316	102	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCHO)(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(C[6]C[6]O[6]H)(CCHO)(H)2	H(C[6]C[6]O[6]C)	108.8330	0.000	1	108.8330	0.000	1	108.4671	1.316	102	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCHH)(H)2	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(C[6]C[6]O[6]H)(CCHH)(H)2	H(C[6]C[6]O[6]C)	111.5640	0.000	1	111.5640	0.000	1	108.4671	1.316	102	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCCH)(H)2	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(C[6]C[6]O[6]H)(CCCH)(H)2	H(C[6]C[6]O[6]C)	107.7680	0.000	1	107.7680	0.000	1	108.4671	1.316	102	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CC3)(H)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(C[6]C[6]O[6]H)(CC3)(H)2	H(C[6]C[6]O[6]C)	108.5700	0.000	1	108.5700	0.000	1	108.4671	1.316	102	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CC[6a]HH)(H)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(C[6]C[6]O[6]H)(CC[6a]HH)(H)2	H(C[6]C[6]O[6]C)	108.3870	0.000	1	108.3870	0.000	1	108.4671	1.316	102	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CHHO)(H)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(C[6]C[6]O[6]H)(CHHO)(H)2	H(C[6]C[6]O[6]C)	108.0855	0.023	2	108.0855	0.001	2	108.4671	1.316	102	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCHO)(H)2	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(C[6]C[6]O[6]H)(CCHO)(H)2	H(C[6]C[6]O[6]C)	109.3000	0.423	3	109.3000	0.179	3	108.4671	1.316	102	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCHH)(H)2	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(C[6]C[6]O[6]H)(CCHH)(H)2	H(C[6]C[6]O[6]C)	108.4235	0.102	4	107.5540	1.425	9	108.4671	1.316	102	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCHH)(H)2	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(C[6]C[6]O[6]H)(CCHH)(H)2	H(C[6]C[6]O[6]C)	106.0130	0.000	1	107.5540	1.425	9	108.4671	1.316	102	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCHH)(H)2	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(C[6]C[6]O[6]H)(CCHH)(H)2	H(C[6]C[6]O[6]C)	108.1715	0.414	2	107.5540	1.425	9	108.4671	1.316	102	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCHH)(H)2	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(C[6]C[6]O[6]H)(CCHH)(H)2	H(C[6]C[6]O[6]C)	105.9680	0.068	2	107.5540	1.425	9	108.4671	1.316	102	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCHO)(H)2	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(C[6]C[6]O[6]H)(CCHO)(H)2	H(C[6]C[6]O[6]C)	108.5225	0.344	2	108.6560	0.113	3	108.4671	1.316	102	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCHO)(H)2	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(C[6]C[6]O[6]H)(CCHO)(H)2	H(C[6]C[6]O[6]C)	108.9230	0.000	1	108.6560	0.113	3	108.4671	1.316	102	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CC[6a]HH)(H)2	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(C[6]C[6]O[6]H)(CC[6a]HH)(H)2	H(C[6]C[6]O[6]C)	109.4110	0.812	3	109.4110	0.659	3	108.4671	1.316	102	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CH3)(H)2	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(C[6]C[6]O[6]H)(CH3)(H)2	H(C[6]C[6]O[6]C)	107.1975	0.340	2	107.4117	0.111	4	108.4671	1.316	102	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CH3)(H)2	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(C[6]C[6]O[6]H)(CH3)(H)2	H(C[6]C[6]O[6]C)	107.6260	0.187	2	107.4117	0.111	4	108.4671	1.316	102	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CHHO)(H)2	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(C[6]C[6]O[6]H)(CHHO)(H)2	H(C[6]C[6]O[6]C)	106.3640	0.000	1	106.3640	0.000	1	108.4671	1.316	102	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]P[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCHH)(H)2	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(C[6]C[6]O[6]H)(CCHH)(H)2	H(C[6]C[6]O[6]C)	107.0260	0.000	1	107.0260	0.000	1	108.4671	1.316	102	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(O[6]C[5,6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCHH)(H)2	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(C[6]C[6]O[6]H)(CCHH)(H)2	H(C[6]C[6]O[6]C)	108.1567	0.226	3	108.1567	0.051	3	108.4671	1.316	102	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCHH)(H)2	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(C[6]C[6]O[6]H)(CCHH)(H)2	H(C[6]C[6]O[6]C)	106.8080	0.000	1	107.1735	0.267	2	108.4671	1.316	102	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCHH)(H)2	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(C[6]C[6]O[6]H)(CCHH)(H)2	H(C[6]C[6]O[6]C)	107.5390	0.000	1	107.1735	0.267	2	108.4671	1.316	102	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(O[6]C[6,6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCHH)(H)2	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(C[6]C[6]O[6]H)(CCHH)(H)2	H(C[6]C[6]O[6]C)	109.2100	0.000	1	109.2100	0.000	1	108.4671	1.316	102	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCHO)(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(C[6]C[6]O[6]H)(CCHO)(H)2	H(C[6]C[6]O[6]C)	108.2850	0.000	1	108.2850	0.000	1	108.4671	1.316	102	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CHHS)(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(C[6]C[6]O[6]H)(CHHS)(H)2	H(C[6]C[6]O[6]C)	109.2200	0.000	1	109.2200	0.000	1	108.4671	1.316	102	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCHH)(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(C[6]C[6]O[6]H)(CCHH)(H)2	H(C[6]C[6]O[6]C)	108.9250	0.000	1	109.7943	0.653	3	108.4671	1.316	102	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCHH)(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(C[6]C[6]O[6]H)(CCHH)(H)2	H(C[6]C[6]O[6]C)	110.2290	0.416	2	109.7943	0.653	3	108.4671	1.316	102	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCCH)(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(C[6]C[6]O[6]H)(CCCH)(H)2	H(C[6]C[6]O[6]C)	111.3640	0.000	1	110.6070	1.146	2	108.4671	1.316	102	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCCH)(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(C[6]C[6]O[6]H)(CCCH)(H)2	H(C[6]C[6]O[6]C)	109.8500	0.000	1	110.6070	1.146	2	108.4671	1.316	102	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCHH)(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(C[6]C[6]O[6]H)(CCHH)(H)2	H(C[6]C[6]O[6]C)	108.2730	0.000	1	108.2653	1.476	6	108.4671	1.316	102	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCHH)(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(C[6]C[6]O[6]H)(CCHH)(H)2	H(C[6]C[6]O[6]C)	106.8435	0.098	2	108.2653	1.476	6	108.4671	1.316	102	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCHH)(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(C[6]C[6]O[6]H)(CCHH)(H)2	H(C[6]C[6]O[6]C)	109.5390	0.000	2	108.2653	1.476	6	108.4671	1.316	102	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCHH)(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(C[6]C[6]O[6]H)(CCHH)(H)2	H(C[6]C[6]O[6]C)	108.5540	0.000	1	108.2653	1.476	6	108.4671	1.316	102	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCHO)(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(C[6]C[6]O[6]H)(CCHO)(H)2	H(C[6]C[6]O[6]C)	108.7760	0.142	3	108.7760	0.020	3	108.4671	1.316	102	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CC[3]HO)(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(C[6]C[6]O[6]H)(CC[3]HO)(H)2	H(C[6]C[6]O[6]C)	109.2675	0.271	2	109.2675	0.073	2	108.4671	1.316	102	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CC[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|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]O[6]H)(CC[6]HH)(H)2	H(C[6]C[6]O[6]C)	108.6905	0.249	6	108.6905	0.062	6	108.4671	1.316	102	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CC[6a]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|Br<1>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CC[6a]HH)(H)2	H(C[6]C[6]O[6]C)	107.4950	0.000	1	108.5595	0.515	4	108.4671	1.316	102	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CC[6a]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<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]O[6]H)(CC[6a]HH)(H)2	H(C[6]C[6]O[6]C)	108.8590	0.130	2	108.5595	0.515	4	108.4671	1.316	102	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CC[6a]HH)(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(C[6]C[6]O[6]H)(CC[6a]HH)(H)2	H(C[6]C[6]O[6]C)	109.0250	0.000	1	108.5595	0.515	4	108.4671	1.316	102	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CH3)(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(C[6]C[6]O[6]H)(CH3)(H)2	H(C[6]C[6]O[6]C)	107.9280	0.000	1	107.9280	0.000	1	108.4671	1.316	102	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CHHO)(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(C[6]C[6]O[6]H)(CHHO)(H)2	H(C[6]C[6]O[6]C)	108.7985	0.094	2	108.4328	0.504	6	108.4671	1.316	102	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CHHO)(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(C[6]C[6]O[6]H)(CHHO)(H)2	H(C[6]C[6]O[6]C)	106.9920	0.000	1	108.4328	0.504	6	108.4671	1.316	102	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CHHO)(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(C[6]C[6]O[6]H)(CHHO)(H)2	H(C[6]C[6]O[6]C)	108.6693	0.011	3	108.4328	0.504	6	108.4671	1.316	102	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CN[5a]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|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]O[6]H)(CN[5a]HH)(H)2	H(C[6]C[6]O[6]C)	109.9295	0.397	2	109.9295	0.157	2	108.4671	1.316	102	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]N[6,6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCHH)(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(C[6]C[6]O[6]H)(CCHH)(H)2	H(C[6]C[6]O[6]C)	109.9920	0.000	1	109.9920	0.000	1	108.4671	1.316	102	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HI)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCHH)(H)2	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(C[6]C[6]O[6]H)(CCHH)(H)2	H(C[6]C[6]O[6]C)	107.3120	0.185	2	107.3120	0.034	2	108.4671	1.316	102	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CHHO)(H)2	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(C[6]C[6]O[6]H)(CHHO)(H)2	H(C[6]C[6]O[6]C)	108.3360	0.000	1	108.3360	0.000	1	108.4671	1.316	102	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CC3)(H)2	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(C[6]C[6]O[6]H)(CC3)(H)2	H(C[6]C[6]O[6]C)	106.3660	0.000	1	106.3660	0.000	1	108.4671	1.316	102	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCCH)(H)2	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(C[6]C[6]O[6]H)(CCCH)(H)2	H(C[6]C[6]O[6]C)	109.4767	0.529	3	108.7510	2.293	4	108.4671	1.316	102	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCCH)(H)2	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(C[6]C[6]O[6]H)(CCCH)(H)2	H(C[6]C[6]O[6]C)	106.5740	0.000	1	108.7510	2.293	4	108.4671	1.316	102	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCHH)(H)2	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(C[6]C[6]O[6]H)(CCHH)(H)2	H(C[6]C[6]O[6]C)	107.8590	0.000	1	107.8590	0.000	1	108.4671	1.316	102	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CC[6]HH)(H)2	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(C[6]C[6]O[6]H)(CC[6]HH)(H)2	H(C[6]C[6]O[6]C)	108.6820	0.000	1	108.6820	0.000	1	108.4671	1.316	102	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HS)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCHH)(H)2	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(C[6]C[6]O[6]H)(CCHH)(H)2	H(C[6]C[6]O[6]C)	107.4535	0.603	2	107.4535	0.364	2	108.4671	1.316	102	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CHHO)(H)2	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(C[6]C[6]O[6]H)(CHHO)(H)2	H(C[6]C[6]O[6]C)	108.4340	0.000	1	108.7610	0.214	2	108.4671	1.316	102	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CHHO)(H)2	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(C[6]C[6]O[6]H)(CHHO)(H)2	H(C[6]C[6]O[6]C)	109.0880	0.000	1	108.7610	0.214	2	108.4671	1.316	102	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CC[6a]HH)(H)2	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(C[6]C[6]O[6]H)(CC[6a]HH)(H)2	H(C[6]C[6]O[6]C)	108.9070	0.000	1	108.9070	0.000	1	108.4671	1.316	102	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCHH)(H)2	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(C[6]C[6]O[6]H)(CCHH)(H)2	H(C[6]C[6]O[6]C)	107.2390	0.000	1	107.2390	0.000	1	108.4671	1.316	102	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CC[6a]HH)(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(C[6]C[6]O[6]H)(CC[6a]HH)(H)2	H(C[6]C[6]O[6]C)	109.9950	0.000	1	109.9950	0.000	1	108.4671	1.316	102	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:I-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHI)(H)	C(C[6]C[6]O[6]H)(CCHH)(H)(I)	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(C[6]C[6]O[6]H)(CCHH)(H)(I)	H(C[6]C[6]O[6]C)	108.6210	0.000	1	108.6210	0.000	1	108.6210	0.000	1	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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[6,6a]HH)(O[6]C[6])(CC[6]HH)(H)	C(C[6]C[6]O[6]H)2(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(C[6]C[6]O[6]H)2(H)2	H(C[6]C[6]O[6]C)	108.9702	0.302	9	108.9702	0.091	9	108.6896	0.864	26	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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(C[6]C[6]O[6]H)2(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(C[6]C[6]O[6]H)2(H)2	H(C[6]C[6]O[6]C)	110.0185	0.176	2	110.0185	0.031	2	108.6896	0.864	26	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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(C[6]C[6]O[6]H)2(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(C[6]C[6]O[6]H)2(H)2	H(C[6]C[6]O[6]C)	109.0290	0.000	1	109.0290	0.000	1	108.6896	0.864	26	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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(C[6]C[6]O[6]H)(C[6]S[6]2C)(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(C[6]C[6]O[6]H)(C[6]S[6]2C)(H)2	H(C[6]C[6]O[6]C)	109.4520	0.093	2	109.4520	0.009	2	108.6896	0.864	26	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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(C[6]C[6]O[6]H)2(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(C[6]C[6]O[6]H)2(H)2	H(C[6]C[6]O[6]C)	108.9780	0.000	1	108.1023	1.015	12	108.6896	0.864	26	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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(C[6]C[6]O[6]H)2(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(C[6]C[6]O[6]H)2(H)2	H(C[6]C[6]O[6]C)	108.0226	1.016	11	108.1023	1.015	12	108.6896	0.864	26	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:S-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHS)(H)	C(C[6]C[6]O[6]H)(SO3)(H)2	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(C[6]C[6]O[6]H)(SO3)(H)2	H(C[6]C[6]O[6]C)	109.7950	0.000	1	109.7950	0.000	1	109.7950	0.000	1	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:S[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]CH)(S[6]C[5,6])(CCHH)(H)	C(C[6]C[6]S[6]H)(CH3)(H)2	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(C[6]C[6]S[6]H)(CH3)(H)2	H(C[6]C[6]S[6]C)	105.8630	0.171	5	105.8630	0.029	5	107.6815	3.305	13	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:S[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(S[6]C[5,6])(CCHH)(H)	C(C[6]C[6]S[6]H)(CH3)(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(C[6]C[6]S[6]H)(CH3)(H)2	H(C[6]C[6]S[6]C)	108.8180	1.346	8	108.8180	1.811	8	107.6815	3.305	13	108.4436	1.601	159	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5,6]-4:N[6]-2:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6])(CCHO)(H)	C(C[6]C[5,6]N[6]H)(CHHO)(OH)(H)	H(C[6]C[5,6]N[6]C)	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6])(CCHO)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(C[6]C[5,6]N[6]H)(CHHO)(OH)(H)	H(C[6]C[5,6]N[6]C)	107.0460	0.050	4	107.0460	0.002	4	107.0460	0.002	4	108.5202	0.893	36	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6])(CCHO)(H)	C(C[6]C[5,6]O[6]H)(CCHO)(OC)(H)	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6])(CCHO)(H){1|C<4>,1|H<1>,1|O<2>,1|S<2>,3|C<3>}	C(C[6]C[5,6]O[6]H)(CCHO)(OC)(H)	H(C[6]C[5,6]O[6]C)	110.0680	0.000	1	110.0680	0.000	1	108.9197	1.287	3	108.5202	0.893	36	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CCHO)(H)	C(C[6]C[5,6]O[6]H)(CCHO)(OC)(H)	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CCHO)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C(C[6]C[5,6]O[6]H)(CCHO)(OC)(H)	H(C[6]C[5,6]O[6]C)	108.8910	0.000	1	108.8910	0.000	1	108.9197	1.287	3	108.5202	0.893	36	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:2:1:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CCHO)(H)	C(C[6]C[5,6]O[6]H)(CH3)(OH)(H)	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CCHO)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[5,6]O[6]H)(CH3)(OH)(H)	H(C[6]C[5,6]O[6]C)	107.8000	0.000	1	107.8000	0.000	1	108.9197	1.287	3	108.5202	0.893	36	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5]O[6]H)(O[6]C[6])(CCHO)(H)	C(C[6]C[6]O[6]H)(CC[5]HH)(OH)(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(C[6]C[6]O[6]H)(CC[5]HH)(OH)(H)	H(C[6]C[6]O[6]C)	109.6360	1.413	3	109.6360	1.998	3	108.6822	0.669	29	108.5202	0.893	36	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5a,6]CH)(O[6]C[6])(CCHO)(H)	C(C[6]C[6]O[6]H)(CHHO)(OH)(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(C[6]C[6]O[6]H)(CHHO)(OH)(H)	H(C[6]C[6]O[6]C)	108.1980	0.359	2	108.1980	0.129	2	108.6822	0.669	29	108.5202	0.893	36	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCHO)(H)	C(C[6]C[6]O[6]H)(CCHH)(OC)(H)	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(C[6]C[6]O[6]H)(CCHH)(OC)(H)	H(C[6]C[6]O[6]C)	108.4110	0.000	1	108.4110	0.000	1	108.6822	0.669	29	108.5202	0.893	36	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CN)(O[6]C[6])(CCHO)(H)	C(C[6]C[6]O[6]H)(CCHH)(OH)(H)	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(C[6]C[6]O[6]H)(CCHH)(OH)(H)	H(C[6]C[6]O[6]C)	107.9600	0.000	1	107.9600	0.000	1	108.6822	0.669	29	108.5202	0.893	36	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCHO)(H)	C(C[6]C[6]O[6]H)(CCCO)(OC)(H)	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(C[6]C[6]O[6]H)(CCCO)(OC)(H)	H(C[6]C[6]O[6]C)	108.7260	0.205	2	108.7260	0.042	2	108.6822	0.669	29	108.5202	0.893	36	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHO)(H)	C(C[6]C[6]O[6]H)(CHHO)(OH)(H)	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(C[6]C[6]O[6]H)(CHHO)(OH)(H)	H(C[6]C[6]O[6]C)	108.7700	0.000	1	108.7700	0.000	1	108.6822	0.669	29	108.5202	0.893	36	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H)	C(C[6]C[6]O[6]H)(CCCO)(OH)(H)	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(C[6]C[6]O[6]H)(CCCO)(OH)(H)	H(C[6]C[6]O[6]C)	108.7740	0.000	1	108.7740	0.000	1	108.6822	0.669	29	108.5202	0.893	36	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H)	C(C[6]C[6]O[6]H)(CCHH)(OH)(H)	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(C[6]C[6]O[6]H)(CCHH)(OH)(H)	H(C[6]C[6]O[6]C)	109.3020	0.000	1	109.3020	0.000	1	108.6822	0.669	29	108.5202	0.893	36	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H)	C(C[6]C[6]O[6]H)(CCHO)(OC)(H)	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(C[6]C[6]O[6]H)(CCHO)(OC)(H)	H(C[6]C[6]O[6]C)	109.0810	0.349	2	109.0810	0.122	2	108.6822	0.669	29	108.5202	0.893	36	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H)	C(C[6]C[6]O[6]H)(CC[6a]ClH)(OH)(H)	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(C[6]C[6]O[6]H)(CC[6a]ClH)(OH)(H)	H(C[6]C[6]O[6]C)	108.9510	0.000	1	108.9510	0.000	1	108.6822	0.669	29	108.5202	0.893	36	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H)	C(C[6]C[6]O[6]H)(CC[6a]HO)(OH)(H)	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(C[6]C[6]O[6]H)(CC[6a]HO)(OH)(H)	H(C[6]C[6]O[6]C)	108.8080	0.000	1	108.8080	0.000	1	108.6822	0.669	29	108.5202	0.893	36	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H)	C(C[6]C[6]O[6]H)(CHHO)(OH)(H)	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(C[6]C[6]O[6]H)(CHHO)(OH)(H)	H(C[6]C[6]O[6]C)	109.9330	0.000	1	109.9330	0.000	1	108.6822	0.669	29	108.5202	0.893	36	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(CCHO)(H)	C(C[6]C[6]O[6]H)(CCHO)(OC)(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(C[6]C[6]O[6]H)(CCHO)(OC)(H)	H(C[6]C[6]O[6]C)	108.5610	0.000	1	108.5123	0.007	3	108.6822	0.669	29	108.5202	0.893	36	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(CCHO)(H)	C(C[6]C[6]O[6]H)(CCHO)(OC)(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(C[6]C[6]O[6]H)(CCHO)(OC)(H)	H(C[6]C[6]O[6]C)	108.4160	0.000	1	108.5123	0.007	3	108.6822	0.669	29	108.5202	0.893	36	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(CCHO)(H)	C(C[6]C[6]O[6]H)(CCHO)(OC)(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(C[6]C[6]O[6]H)(CCHO)(OC)(H)	H(C[6]C[6]O[6]C)	108.5600	0.000	1	108.5123	0.007	3	108.6822	0.669	29	108.5202	0.893	36	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[5,6])(CCHO)(H)	C(C[6]C[6]O[6]H)(CC[6]CH)(OH)(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(C[6]C[6]O[6]H)(CC[6]CH)(OH)(H)	H(C[6]C[6]O[6]C)	108.1950	0.000	1	108.1950	0.000	1	108.6822	0.669	29	108.5202	0.893	36	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H)	C(C[6]C[6]O[6]H)(CCHH)(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(C[6]C[6]O[6]H)(CCHH)(OC)(H)	H(C[6]C[6]O[6]C)	109.2590	0.000	1	109.2590	0.000	1	108.6822	0.669	29	108.5202	0.893	36	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H)	C(C[6]C[6]O[6]H)(CCHH)(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(C[6]C[6]O[6]H)(CCHH)(OH)(H)	H(C[6]C[6]O[6]C)	107.5300	0.000	1	107.5300	0.000	1	108.6822	0.669	29	108.5202	0.893	36	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H)	C(C[6]C[6]O[6]H)(CH3)(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<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]O[6]H)(CH3)(OC)(H)	H(C[6]C[6]O[6]C)	106.3560	0.000	1	106.3560	0.000	1	108.6822	0.669	29	108.5202	0.893	36	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H)	C(C[6]C[6]O[6]H)(CHHN)(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(C[6]C[6]O[6]H)(CHHN)(OH)(H)	H(C[6]C[6]O[6]C)	109.1580	0.000	1	109.1580	0.000	1	108.6822	0.669	29	108.5202	0.893	36	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H)	C(C[6]C[6]O[6]H)(CHHO)(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(C[6]C[6]O[6]H)(CHHO)(OC)(H)	H(C[6]C[6]O[6]C)	109.0260	0.000	1	108.5615	0.432	2	108.6822	0.669	29	108.5202	0.893	36	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H)	C(C[6]C[6]O[6]H)(CHHO)(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<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]O[6]H)(CHHO)(OC)(H)	H(C[6]C[6]O[6]C)	108.0970	0.000	1	108.5615	0.432	2	108.6822	0.669	29	108.5202	0.893	36	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H)	C(C[6]C[6]O[6]H)(CHHO)(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(C[6]C[6]O[6]H)(CHHO)(OH)(H)	H(C[6]C[6]O[6]C)	108.4970	0.000	1	108.4970	0.000	1	108.6822	0.669	29	108.5202	0.893	36	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(O[6]C[6])(CCHO)(H)	C(C[6]C[6]O[6]H)(CHHO)(OC)(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(C[6]C[6]O[6]H)(CHHO)(OC)(H)	H(C[6]C[6]O[6]C)	108.3010	0.000	1	108.3010	0.000	1	108.6822	0.669	29	108.5202	0.893	36	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:3:1:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:N-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]N[6])(CCHN)(H)	C(C[6]C[5,6]O[6]H)(CH3)(NOO)(H)	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]O[5]H)(O[6]N[6])(CCHN)(H){1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[5,6]O[6]H)(CH3)(NOO)(H)	H(C[6]C[5,6]O[6]C)	107.2690	0.000	1	107.2690	0.000	1	107.2690	0.000	1	107.9255	1.094	15	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CCHH)(CCO)(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(C[6]C[6]O[6]H)(CCHH)(CCO)(H)	H(C[6]C[6]O[6]C)	108.0765	0.651	2	108.0765	0.424	2	107.8307	1.380	11	107.9255	1.094	15	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CH3)(CCO)(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(C[6]C[6]O[6]H)(CH3)(CCO)(H)	H(C[6]C[6]O[6]C)	105.5340	0.000	1	105.5340	0.000	1	107.8307	1.380	11	107.9255	1.094	15	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CH3)(COO)(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(C[6]C[6]O[6]H)(CH3)(COO)(H)	H(C[6]C[6]O[6]C)	108.9060	0.000	1	108.7887	0.073	3	107.8307	1.380	11	107.9255	1.094	15	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CH3)(COO)(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(C[6]C[6]O[6]H)(CH3)(COO)(H)	H(C[6]C[6]O[6]C)	108.7300	0.355	2	108.7887	0.073	3	107.8307	1.380	11	107.9255	1.094	15	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CCHH)(CNO)(H)	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(C[6]C[6]O[6]H)(CCHH)(CNO)(H)	H(C[6]C[6]O[6]C)	106.3060	0.000	1	106.3060	0.000	1	107.8307	1.380	11	107.9255	1.094	15	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CCHH)(COO)(H)	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(C[6]C[6]O[6]H)(CCHH)(COO)(H)	H(C[6]C[6]O[6]C)	106.7790	0.000	1	106.7790	0.000	1	107.8307	1.380	11	107.9255	1.094	15	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CCHO)(CCH)(H)	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(C[6]C[6]O[6]H)(CCHO)(CCH)(H)	H(C[6]C[6]O[6]C)	108.8160	0.000	1	108.8160	0.000	1	107.8307	1.380	11	107.9255	1.094	15	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]S[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CH3)(CCH)(H)	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(C[6]C[6]O[6]H)(CH3)(CCH)(H)	H(C[6]C[6]O[6]C)	107.5730	0.000	1	107.5730	0.000	1	107.8307	1.380	11	107.9255	1.094	15	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[5,6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CH3)(CCH)(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(C[6]C[6]O[6]H)(CH3)(CCH)(H)	H(C[6]C[6]O[6]C)	108.6110	0.000	1	108.6110	0.000	1	107.8307	1.380	11	107.9255	1.094	15	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]S[6])(CCHN)(H)	C(C[6]C[6]O[6]H)(CC[6a]HH)(NCC)(H)	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(C[6]C[6]O[6]H)(CC[6a]HH)(NCC)(H)	H(C[6]C[6]O[6]C)	108.5330	0.000	1	108.5330	0.000	1	108.5615	0.002	2	107.9255	1.094	15	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHN)(H)	C(C[6]C[6]O[6]H)(CC[6a]CO)(NHS)(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(C[6]C[6]O[6]H)(CC[6a]CO)(NHS)(H)	H(C[6]C[6]O[6]C)	108.5900	0.000	1	108.5900	0.000	1	108.5615	0.002	2	107.9255	1.094	15	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:N-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(O[6]C[6])(CCHN)(H)	C(C[6]C[6]O[6]H)(NH3)(COO)(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(C[6]C[6]O[6]H)(NH3)(COO)(H)	H(C[6]C[6]O[6]C)	108.3530	0.000	1	108.3530	0.000	1	108.3530	0.000	1	107.9255	1.094	15	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:3:2:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-3:O-2:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCCO)(H)	C(C[6]C[6]O[6]H)(CH3)(CCH)(OH)	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(C[6]C[6]O[6]H)(CH3)(CCH)(OH)	H(C[6]C[6]O[6]C)	107.6280	1.402	4	107.6280	1.965	4	107.9103	0.976	8	107.9103	0.976	8	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:3:2:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-3:O-2:	C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CCCO)(H)	C(C[6]C[6]O[6]H)(CH3)(CCC)(OH)	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(C[6]C[6]O[6]H)(CH3)(CCC)(OH)	H(C[6]C[6]O[6]C)	108.1925	0.314	4	108.1925	0.099	4	107.9103	0.976	8	107.9103	0.976	8	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:4:1:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CCCH)(H)	C(C[6]C[5,6]O[6]H)(CCHH)(CH3)(H)	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CCCH)(H){1|C<3>,2|H<1>,3|C<4>}	C(C[6]C[5,6]O[6]H)(CCHH)(CH3)(H)	H(C[6]C[5,6]O[6]C)	110.7690	0.000	1	110.7690	0.000	1	108.6420	3.665	3	108.0746	1.557	51	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:4:1:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(O[6]C[6])(CCCH)(H)	C(C[6]C[5,6]O[6]H)(CH3)2(H)	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5]C[6]N[5])(O[6]C[6])(CCCH)(H){1|C<4>,2|C<3>,2|O<2>,5|H<1>}	C(C[6]C[5,6]O[6]H)(CH3)2(H)	H(C[6]C[5,6]O[6]C)	108.1000	0.000	1	107.5785	0.544	2	108.6420	3.665	3	108.0746	1.557	51	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:4:1:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(O[6]C[6])(CCCH)(H)	C(C[6]C[5,6]O[6]H)(CH3)2(H)	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5]C[6]N[5])(O[6]C[6])(CCCH)(H){1|O<2>,3|C<3>,5|H<1>}	C(C[6]C[5,6]O[6]H)(CH3)2(H)	H(C[6]C[5,6]O[6]C)	107.0570	0.000	1	107.5785	0.544	2	108.6420	3.665	3	108.0746	1.557	51	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:4:1:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CCCH)(H)	C(C[6]C[6,6]O[6]H)(CH3)2(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(C[6]C[6,6]O[6]H)(CH3)2(H)	H(C[6]C[6,6]O[6]C)	105.8000	0.000	1	105.8000	0.000	1	105.8000	0.000	1	108.0746	1.557	51	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[5]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CC[5]CH)(H)	C(C[5]C[5,6]C[5]H)(C[6]C[6]O[6]H)(CH3)(H)	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(C[5]C[5,6]C[5]H)(C[6]C[6]O[6]H)(CH3)(H)	H(C[6]C[6]O[6]C)	111.5510	0.000	1	109.0594	2.249	5	109.0594	2.249	5	108.0746	1.557	51	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[5]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CC[5]CH)(H)	C(C[5]C[5,6]C[5]H)(C[6]C[6]O[6]H)(CH3)(H)	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(C[5]C[5,6]C[5]H)(C[6]C[6]O[6]H)(CH3)(H)	H(C[6]C[6]O[6]C)	109.0600	0.000	1	109.0594	2.249	5	109.0594	2.249	5	108.0746	1.557	51	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[5]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CC[5]CH)(H)	C(C[5]C[5,6]C[5]H)(C[6]C[6]O[6]H)(CH3)(H)	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(C[5]C[5,6]C[5]H)(C[6]C[6]O[6]H)(CH3)(H)	H(C[6]C[6]O[6]C)	108.2287	0.599	3	109.0594	2.249	5	109.0594	2.249	5	108.0746	1.557	51	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CC[5a]HH)(CH3)(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(C[6]C[6]O[6]H)(CC[5a]HH)(CH3)(H)	H(C[6]C[6]O[6]C)	109.9030	0.000	1	109.9030	0.000	1	107.8906	1.375	35	108.0746	1.557	51	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CH3)2(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(C[6]C[6]O[6]H)(CH3)2(H)	H(C[6]C[6]O[6]C)	109.4100	0.000	1	109.4015	0.862	4	107.8906	1.375	35	108.0746	1.557	51	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CH3)2(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(C[6]C[6]O[6]H)(CH3)2(H)	H(C[6]C[6]O[6]C)	109.3987	1.137	3	109.4015	0.862	4	107.8906	1.375	35	108.0746	1.557	51	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CCHO)(CH3)(H)	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(C[6]C[6]O[6]H)(CCHO)(CH3)(H)	H(C[6]C[6]O[6]C)	110.1760	0.000	1	110.1760	0.000	1	107.8906	1.375	35	108.0746	1.557	51	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CH3)2(H)	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(C[6]C[6]O[6]H)(CH3)2(H)	H(C[6]C[6]O[6]C)	107.8790	0.000	1	107.1930	0.941	2	107.8906	1.375	35	108.0746	1.557	51	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CH3)2(H)	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(C[6]C[6]O[6]H)(CH3)2(H)	H(C[6]C[6]O[6]C)	106.5070	0.000	1	107.1930	0.941	2	107.8906	1.375	35	108.0746	1.557	51	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[5,6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CCHH)(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(C[6]C[6]O[6]H)(CCHH)(CH3)(H)	H(C[6]C[6]O[6]C)	108.5890	0.000	2	108.5890	0.000	2	107.8906	1.375	35	108.0746	1.557	51	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CCHH)(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(C[6]C[6]O[6]H)(CCHH)(CH3)(H)	H(C[6]C[6]O[6]C)	107.8677	0.155	3	107.8298	0.022	4	107.8906	1.375	35	108.0746	1.557	51	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CCHH)(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(C[6]C[6]O[6]H)(CCHH)(CH3)(H)	H(C[6]C[6]O[6]C)	107.7160	0.000	1	107.8298	0.022	4	107.8906	1.375	35	108.0746	1.557	51	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CCHO)(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(C[6]C[6]O[6]H)(CCHO)(CH3)(H)	H(C[6]C[6]O[6]C)	107.9575	0.238	2	107.9575	0.057	2	107.8906	1.375	35	108.0746	1.557	51	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CC[5]HH)(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(C[6]C[6]O[6]H)(CC[5]HH)(CH3)(H)	H(C[6]C[6]O[6]C)	107.0020	0.000	1	107.0020	0.000	1	107.8906	1.375	35	108.0746	1.557	51	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CH3)2(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(C[6]C[6]O[6]H)(CH3)2(H)	H(C[6]C[6]O[6]C)	106.2255	0.450	2	106.3340	0.137	3	107.8906	1.375	35	108.0746	1.557	51	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CH3)2(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(C[6]C[6]O[6]H)(CH3)2(H)	H(C[6]C[6]O[6]C)	106.5510	0.000	1	106.3340	0.137	3	107.8906	1.375	35	108.0746	1.557	51	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CHHO)(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(C[6]C[6]O[6]H)(CHHO)(CH3)(H)	H(C[6]C[6]O[6]C)	106.8205	0.460	2	107.4115	0.537	4	107.8906	1.375	35	108.0746	1.557	51	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CHHO)(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(C[6]C[6]O[6]H)(CHHO)(CH3)(H)	H(C[6]C[6]O[6]C)	108.0025	0.043	2	107.4115	0.537	4	107.8906	1.375	35	108.0746	1.557	51	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CC[5]HH)(CHHO)(H)	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(C[6]C[6]O[6]H)(CC[5]HH)(CHHO)(H)	H(C[6]C[6]O[6]C)	107.1320	0.187	2	107.1320	0.035	2	107.8906	1.375	35	108.0746	1.557	51	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CC[6a]CH)(CHHO)(H)	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(C[6]C[6]O[6]H)(CC[6a]CH)(CHHO)(H)	H(C[6]C[6]O[6]C)	107.8940	0.000	1	107.8940	0.000	1	107.8906	1.375	35	108.0746	1.557	51	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CH3)2(H)	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(C[6]C[6]O[6]H)(CH3)2(H)	H(C[6]C[6]O[6]C)	108.6870	0.000	1	108.6870	0.000	1	107.8906	1.375	35	108.0746	1.557	51	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CHHO)(CH3)(H)	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(C[6]C[6]O[6]H)(CHHO)(CH3)(H)	H(C[6]C[6]O[6]C)	106.9813	1.371	4	106.9813	1.880	4	107.8906	1.375	35	108.0746	1.557	51	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CH3)2(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(C[6]C[6]O[6]H)(CH3)2(H)	H(C[6]C[6]O[6]C)	108.0120	0.000	1	108.0120	0.000	1	107.8906	1.375	35	108.0746	1.557	51	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CC[6]HO)(CH3)(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(C[6]C[6]O[6]H)(CC[6]HO)(CH3)(H)	H(C[6]C[6]O[6]C)	108.6110	0.000	1	108.6110	0.000	1	107.8906	1.375	35	108.0746	1.557	51	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CHHO)(CH3)(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(C[6]C[6]O[6]H)(CHHO)(CH3)(H)	H(C[6]C[6]O[6]C)	108.6440	0.000	1	108.6440	0.000	1	107.8906	1.375	35	108.0746	1.557	51	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHN)(H)	C(C[6]C[6]O[6]H)(CH3)(NH3)(H)	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(C[6]C[6]O[6]H)(CH3)(NH3)(H)	H(C[6]C[6]O[6]C)	109.5990	0.000	1	109.5990	0.000	1	109.5990	0.000	1	108.0746	1.557	51	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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[5,6]CH)(O[6]C[5,6])(CC[6]CH)(H)	C(C[6]C[6]O[6]H)2(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(C[6]C[6]O[6]H)2(CH3)(H)	H(C[6]C[6]O[6]C)	107.8930	0.000	1	107.8930	0.000	1	108.0580	0.015	4	108.0746	1.557	51	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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(C[6]C[6]O[6]H)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|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]O[6]H)2(CH3)(H)	H(C[6]C[6]O[6]C)	108.1005	0.087	2	108.1130	0.004	3	108.0580	0.015	4	108.0746	1.557	51	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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(C[6]C[6]O[6]H)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(C[6]C[6]O[6]H)2(CH3)(H)	H(C[6]C[6]O[6]C)	108.1380	0.000	1	108.1130	0.004	3	108.0580	0.015	4	108.0746	1.557	51	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:S-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHS)(H)	C(C[6]C[6]O[6]H)(SC[6a]OO)(CCHH)(H)	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(C[6]C[6]O[6]H)(SC[6a]OO)(CCHH)(H)	H(C[6]C[6]O[6]C)	108.3290	0.000	1	108.3290	0.000	1	108.3910	0.008	2	108.0746	1.557	51	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:S-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHS)(H)	C(C[6]C[6]O[6]H)(SC[6a]OO)(CN[6]HH)(H)	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(C[6]C[6]O[6]H)(SC[6a]OO)(CN[6]HH)(H)	H(C[6]C[6]O[6]C)	108.4530	0.000	1	108.4530	0.000	1	108.3910	0.008	2	108.0746	1.557	51	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:4:2:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[5]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CC[5]CO)(H)	C(C[5]C[5,6]C[5]H)(C[6]C[6]O[6]H)(CH3)(OH)	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(C[5]C[5,6]C[5]H)(C[6]C[6]O[6]H)(CH3)(OH)	H(C[6]C[6]O[6]C)	109.0020	0.000	1	109.0020	0.000	1	109.0020	0.000	1	108.0977	0.562	22	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:4:2:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:N-2:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCCN)(H)	C(C[6]C[6]O[6]H)(CCHH)(CCHO)(NN)	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(C[6]C[6]O[6]H)(CCHH)(CCHO)(NN)	H(C[6]C[6]O[6]C)	106.6090	0.000	1	106.6090	0.000	1	106.6090	0.000	1	108.0977	0.562	22	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:4:2:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6])(CCCO)(H)	C(C[6]C[6]O[6]H)(CCHH)(CH3)(OC)	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(C[6]C[6]O[6]H)(CCHH)(CH3)(OC)	H(C[6]C[6]O[6]C)	108.9150	0.000	1	108.9150	0.000	1	108.1269	0.461	20	108.0977	0.562	22	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:4:2:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CCCO)(H)	C(C[6]C[6]O[6]H)(CH3)2(OH)	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(C[6]C[6]O[6]H)(CH3)2(OH)	H(C[6]C[6]O[6]C)	107.8830	0.000	1	107.8830	0.000	1	108.1269	0.461	20	108.0977	0.562	22	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:4:2:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCCO)(H)	C(C[6]C[6]O[6]H)(CCHO)(CH3)(OH)	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(C[6]C[6]O[6]H)(CCHO)(CH3)(OH)	H(C[6]C[6]O[6]C)	107.5270	0.000	1	107.5270	0.000	1	108.1269	0.461	20	108.0977	0.562	22	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:4:2:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCCO)(H)	C(C[6]C[6]O[6]H)(CH3)2(OH)	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(C[6]C[6]O[6]H)(CH3)2(OH)	H(C[6]C[6]O[6]C)	108.0880	0.204	2	108.1393	0.209	11	108.1269	0.461	20	108.0977	0.562	22	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:4:2:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCCO)(H)	C(C[6]C[6]O[6]H)(CH3)2(OH)	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(C[6]C[6]O[6]H)(CH3)2(OH)	H(C[6]C[6]O[6]C)	108.0929	0.552	7	108.1393	0.209	11	108.1269	0.461	20	108.0977	0.562	22	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:4:2:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCCO)(H)	C(C[6]C[6]O[6]H)(CH3)2(OH)	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(C[6]C[6]O[6]H)(CH3)2(OH)	H(C[6]C[6]O[6]C)	108.3530	0.332	2	108.1393	0.209	11	108.1269	0.461	20	108.0977	0.562	22	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:4:2:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCCO)(H)	C(C[6]C[6]O[6]H)(CCHH)(CH3)(OH)	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(C[6]C[6]O[6]H)(CCHH)(CH3)(OH)	H(C[6]C[6]O[6]C)	108.3980	0.000	1	108.4900	0.017	2	108.1269	0.461	20	108.0977	0.562	22	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:4:2:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCCO)(H)	C(C[6]C[6]O[6]H)(CCHH)(CH3)(OH)	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(C[6]C[6]O[6]H)(CCHH)(CH3)(OH)	H(C[6]C[6]O[6]C)	108.5820	0.000	1	108.4900	0.017	2	108.1269	0.461	20	108.0977	0.562	22	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:4:2:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCCO)(H)	C(C[6]C[6]O[6]H)(CC[3]HH)(CH3)(OC)	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(C[6]C[6]O[6]H)(CC[3]HH)(CH3)(OC)	H(C[6]C[6]O[6]C)	106.0210	0.000	1	106.0210	0.000	1	108.1269	0.461	20	108.0977	0.562	22	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:4:2:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]O[6])(CCCO)(H)	C(C[6]C[6]O[6]H)(CH3)2(OO)	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(C[6]C[6]O[6]H)(CH3)2(OO)	H(C[6]C[6]O[6]C)	109.0360	0.000	1	109.0360	0.000	1	108.1269	0.461	20	108.0977	0.562	22	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:4:2:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCCO)(H)	C(C[6]C[6]O[6]H)(CH3)2(OH)	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(C[6]C[6]O[6]H)(CH3)2(OH)	H(C[6]C[6]O[6]C)	108.3220	0.007	2	108.3220	0.000	2	108.1269	0.461	20	108.0977	0.562	22	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(CC3)(H)	C(C[6]C[6]O[6]H)(CH3)3	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(C[6]C[6]O[6]H)(CH3)3	H(C[6]C[6]O[6]C)	108.5460	0.000	1	108.5460	0.000	1	108.1175	1.279	8	108.1175	1.279	8	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CC3)(H)	C(C[6]C[6]O[6]H)(CH3)3	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(C[6]C[6]O[6]H)(CH3)3	H(C[6]C[6]O[6]C)	106.3880	0.000	1	106.3880	0.000	1	108.1175	1.279	8	108.1175	1.279	8	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CC3)(H)	C(C[6]C[6]O[6]H)(CH3)3	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(C[6]C[6]O[6]H)(CH3)3	H(C[6]C[6]O[6]C)	110.2570	0.000	1	110.2570	0.000	1	108.1175	1.279	8	108.1175	1.279	8	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CC3)(H)	C(C[6]C[6]O[6]H)(CCHO)(CH3)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(C[6]C[6]O[6]H)(CCHO)(CH3)2	H(C[6]C[6]O[6]C)	107.4760	0.037	2	107.4760	0.001	2	108.1175	1.279	8	108.1175	1.279	8	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]S[6])(CC3)(H)	C(C[6]C[6]O[6]H)(CH3)3	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(C[6]C[6]O[6]H)(CH3)3	H(C[6]C[6]O[6]C)	108.4875	0.117	2	108.4875	0.014	2	108.1175	1.279	8	108.1175	1.279	8	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:2:4:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[6]N[5,6]HH)(O[6]B[6])(CC3)(H)	C(C[6]C[6]O[6]H)(CH3)3	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(C[6]C[6]O[6]H)(CH3)3	H(C[6]C[6]O[6]C)	107.8220	0.000	1	107.8220	0.000	1	108.1175	1.279	8	108.1175	1.279	8	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:3:1:	3:4:4:1:	4:	C-4:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](CC[6a]C[6]H)(C[6]O[6]O)2(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)2(H)	H(C[6]C[6]2C)	C[6](CC[6a]C[6]H)(C[6]O[6]O)2(H){1|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2H)2(H)	H(C[6]C[6]2C)	105.9745	0.971	2	105.9745	0.943	2	105.9745	0.943	2	106.4830	1.247	3	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:3:1:	3:4:4:1:	4:	C-4:S[6]-3:S[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](CC[6a]C[6]H)(S[6]C[6]O)2(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(C[6]S[6]2H)(H)	H(C[6]S[6]2C)	C[6](CC[6a]C[6]H)(S[6]C[6]O)2(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(C[6]S[6]2H)(H)	H(C[6]S[6]2C)	107.5000	0.000	1	107.5000	0.000	1	107.5000	0.000	1	106.4830	1.247	3	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:3:1:	4:3:1:1:	4:	C-4:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:Cl-1:H-1:	C[6]-4:	C[6](CC[6a]ClH)(C[6]O[6]O)(N[6]C[6]C)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(Cl)(H)	H(C[6]C[6]N[6]C)	C[6](CC[6a]ClH)(C[6]O[6]O)(N[6]C[6]C)(H){1|C<3>,1|O<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(Cl)(H)	H(C[6]C[6]N[6]C)	107.0770	0.000	1	107.0770	0.000	1	107.0770	0.000	1	107.0770	0.000	1	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C[6]-3:N[6]-3:H-1:	C[5,5]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](CC[5,5]HH)(C[6]N[6]O)(N[6]C[6]H)(H)	C(C[5,5]C[5,6a]2C[5,5])(C[6]C[6]N[6]H)(H)2	H(C[6]C[6]N[6]C)	C[6](CC[5,5]HH)(C[6]N[6]O)(N[6]C[6]H)(H){1|O<1>,2|C<4>}	C(C[5,5]C[5,6a]2C[5,5])(C[6]C[6]N[6]H)(H)2	H(C[6]C[6]N[6]C)	103.7560	0.000	1	103.7560	0.000	1	103.9155	0.051	2	103.9155	0.051	2	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C[6]-3:N[6]-3:H-1:	C[5,5]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](CC[5,5]HH)(C[6]N[6]O)(N[6]C[6]H)(H)	C(C[5,5]C[5,6a]C[5,5]C[5,6])(C[6]C[6]N[6]H)(H)2	H(C[6]C[6]N[6]C)	C[6](CC[5,5]HH)(C[6]N[6]O)(N[6]C[6]H)(H){1|O<1>,2|C<4>}	C(C[5,5]C[5,6a]C[5,5]C[5,6])(C[6]C[6]N[6]H)(H)2	H(C[6]C[6]N[6]C)	104.0750	0.000	1	104.0750	0.000	1	103.9155	0.051	2	103.9155	0.051	2	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]2H)(H)	C(C[6a]C[6a]2)2(C[6]C[6]2H)(H)	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(C[6a]C[6a]2)2(C[6]C[6]2H)(H)	H(C[6]C[6]2C)	107.2000	0.000	1	107.2000	0.000	1	108.2050	2.020	2	108.2050	2.020	2	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]2H)(H)	C(C[6a]C[6a]2)2(C[6]C[6]2H)(H)	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(C[6a]C[6a]2)2(C[6]C[6]2H)(H)	H(C[6]C[6]2C)	109.2100	0.000	1	109.2100	0.000	1	108.2050	2.020	2	108.2050	2.020	2	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	3:4:1:1:	4:	C[6,6]-4:N[6]-3:C-4:H-1:	C[5a]-3:C[6]-4:H-1: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(C[5a]C[5a,6a]C[5a])(C[6]C[6,6]N[6]H)(H)2	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(C[5a]C[5a,6a]C[5a])(C[6]C[6,6]N[6]H)(H)2	H(C[6]C[6,6]N[6]C)	107.4200	0.000	1	107.4200	0.000	1	107.4200	0.000	1	107.3737	1.231	46	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(CC[5a]HH)(H)	C(C[5a]C[5a]O[5a])(C[6]C[6]2H)(H)2	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(C[5a]C[5a]O[5a])(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	107.5920	0.000	1	107.5920	0.000	1	107.1263	0.233	3	107.3737	1.231	46	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]N[6]O)(CC[5a]HH)(H)	C(C[5a]C[5a]O[5a])(C[6]C[6]2H)(H)2	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(C[5a]C[5a]O[5a])(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	107.1590	0.000	1	107.1590	0.000	1	107.1263	0.233	3	107.3737	1.231	46	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5a]-3: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(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(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(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	106.6280	0.000	1	106.6280	0.000	1	107.1263	0.233	3	107.3737	1.231	46	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	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(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	107.4290	0.909	2	107.4290	0.827	2	107.3456	1.485	35	107.3737	1.231	46	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:H-1: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(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	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(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	105.7260	0.000	1	106.1163	0.141	3	107.3456	1.485	35	107.3737	1.231	46	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:H-1: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(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	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(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	106.3115	0.233	2	106.1163	0.141	3	107.3456	1.485	35	107.3737	1.231	46	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:H-1: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(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	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(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	105.5640	0.000	1	105.5640	0.000	1	107.3456	1.485	35	107.3737	1.231	46	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]C[6]H)(CC[6a]HH)(H)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)(H)2	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(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	106.9890	0.000	1	106.9890	0.000	1	107.3456	1.485	35	107.3737	1.231	46	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	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(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	107.5340	0.000	1	107.5340	0.000	1	107.3456	1.485	35	107.3737	1.231	46	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)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(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	106.5900	0.000	1	106.5900	0.000	1	107.3456	1.485	35	107.3737	1.231	46	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC[6a]HH)(H)	C(C[6a]C[5a,6a]N[6a])(C[6]C[6]2H)(H)2	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(C[6a]C[5a,6a]N[6a])(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	107.7990	0.000	1	107.7990	0.000	1	107.3456	1.485	35	107.3737	1.231	46	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	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(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	107.6280	0.000	1	107.6280	0.000	1	107.3456	1.485	35	107.3737	1.231	46	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	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(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	111.4600	0.000	1	111.4600	0.000	1	107.3456	1.485	35	107.3737	1.231	46	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3: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(C[6a]C[6a]2)(C[6]C[6]2H)(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(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	108.0290	0.854	2	108.0290	0.730	2	107.3456	1.485	35	107.3737	1.231	46	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3: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(C[6a]C[6a]2)(C[6]C[6]2H)(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(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	108.1420	0.000	1	107.6030	0.129	4	107.3456	1.485	35	107.3737	1.231	46	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3: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(C[6a]C[6a]2)(C[6]C[6]2H)(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(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	107.4280	0.000	1	107.6030	0.129	4	107.3456	1.485	35	107.3737	1.231	46	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3: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(C[6a]C[6a]2)(C[6]C[6]2H)(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(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	107.4210	0.025	2	107.6030	0.129	4	107.3456	1.485	35	107.3737	1.231	46	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HP)(C[6]C[6]C)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	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(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	107.1690	0.000	1	107.1690	0.000	1	107.3456	1.485	35	107.3737	1.231	46	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HP)(C[6]O[6]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	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(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	105.8820	0.000	1	105.8820	0.000	1	107.3456	1.485	35	107.3737	1.231	46	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-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]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	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(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	106.7900	0.000	1	106.7900	0.000	1	107.3456	1.485	35	107.3737	1.231	46	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[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]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	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(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	106.9870	0.000	1	107.1780	0.073	2	107.3456	1.485	35	107.3737	1.231	46	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[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]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	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(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	107.3690	0.000	1	107.1780	0.073	2	107.3456	1.485	35	107.3737	1.231	46	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	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(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	106.2720	0.553	2	106.0883	0.254	3	107.3456	1.485	35	107.3737	1.231	46	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	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(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	105.7210	0.000	1	106.0883	0.254	3	107.3456	1.485	35	107.3737	1.231	46	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[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]N)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	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(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	107.7470	0.460	2	107.7470	0.211	2	107.3456	1.485	35	107.3737	1.231	46	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[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]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	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(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	107.4930	0.000	1	107.8510	0.256	2	107.3456	1.485	35	107.3737	1.231	46	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[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]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	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(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	108.2090	0.000	1	107.8510	0.256	2	107.3456	1.485	35	107.3737	1.231	46	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-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]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	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(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	110.8100	0.000	1	110.8100	0.000	1	107.3456	1.485	35	107.3737	1.231	46	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]N[6]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	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(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	107.2090	0.283	2	107.2090	0.080	2	107.3456	1.485	35	107.3737	1.231	46	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(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(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	107.4850	0.266	2	107.4850	0.071	2	107.3456	1.485	35	107.3737	1.231	46	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(N[6]C[6]H)(CC[5a]HH)(H)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	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(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	H(C[6]C[6]N[6]C)	108.6630	0.000	1	108.6630	0.000	1	107.4052	0.397	6	107.3737	1.231	46	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(N[6]C[6]C)(CC[5a]HH)(H)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	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(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	H(C[6]C[6]N[6]C)	107.0220	0.000	1	107.0220	0.000	1	107.4052	0.397	6	107.3737	1.231	46	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(CC[5a]HH)(H)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	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(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	H(C[6]C[6]N[6]C)	107.1865	0.150	4	107.1865	0.022	4	107.4052	0.397	6	107.3737	1.231	46	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3: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(C[6a]C[6a]N[6a])(C[6]C[6]N[6]H)(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(C[6a]C[6a]N[6a])(C[6]C[6]N[6]H)(H)2	H(C[6]C[6]N[6]C)	108.8650	0.000	1	108.8650	0.000	1	108.8650	0.000	1	107.3737	1.231	46	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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:C-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CC)(H)	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(C[6a]C[6a]2)(C[6]C[6]2H)(CC)(H)	H(C[6]C[6]2C)	106.5090	0.000	1	106.5090	0.000	1	106.5090	0.000	1	107.2816	0.824	20	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2:H-1:	C[6]-4:	C[6](C[6]B[5]C[6]H)(C[6]C[6]O)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(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(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	H(C[6]C[6]2C)	107.6966	0.563	5	107.6966	0.317	5	107.2296	0.987	12	107.2816	0.824	20	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]O[6]O)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(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(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	H(C[6]C[6]2C)	106.5377	0.846	3	106.5377	0.715	3	107.2296	0.987	12	107.2816	0.824	20	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	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(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	H(C[6]C[6]2C)	108.1670	0.000	1	108.1670	0.000	1	107.2296	0.987	12	107.2816	0.824	20	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	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(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	H(C[6]C[6]2C)	107.3230	0.000	1	107.6525	0.217	2	107.2296	0.987	12	107.2816	0.824	20	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	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(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	H(C[6]C[6]2C)	107.9820	0.000	1	107.6525	0.217	2	107.2296	0.987	12	107.2816	0.824	20	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]O)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	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(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	H(C[6]C[6]2C)	105.1870	0.000	1	105.1870	0.000	1	107.2296	0.987	12	107.2816	0.824	20	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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:S-2:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]N)(CC[6a]HS)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(SC[6a])(H)	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(C[6a]C[6a]2)(C[6]C[6]2H)(SC[6a])(H)	H(C[6]C[6]2C)	108.0430	0.000	1	108.0430	0.000	1	108.0430	0.000	1	107.2816	0.824	20	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	3:4:2:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[5a]-3:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]CN)(N[6]C[6]H)(CC[5a]HN)(H)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(NN)(H)	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(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(NN)(H)	H(C[6]C[6]N[6]C)	106.1410	0.000	1	106.1410	0.000	1	106.1410	0.000	1	107.2816	0.824	20	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HO)(H)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(OH)(H)	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(C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(OH)(H)	H(C[6]C[6]N[6]C)	107.6517	0.742	4	107.6517	0.551	4	107.6370	0.414	5	107.2816	0.824	20	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC[6a]HO)(H)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(OH)(H)	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(C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(OH)(H)	H(C[6]C[6]N[6]C)	107.5780	0.000	1	107.5780	0.000	1	107.6370	0.414	5	107.2816	0.824	20	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[5a]CH)(H)	C(C[5a]C[5a]N[5a])(C[6]C[6]2H)(COO)(H)	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(C[5a]C[5a]N[5a])(C[6]C[6]2H)(COO)(H)	H(C[6]C[6]2C)	106.6010	0.000	1	106.6010	0.000	1	106.6010	0.000	1	107.2705	0.659	15	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CFeO)(H)	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(C[6a]C[6a]2)(C[6]C[6]2H)(CFeO)(H)	H(C[6]C[6]2C)	108.4130	0.000	1	108.4130	0.000	1	107.5707	0.603	3	107.2705	0.659	15	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCH)(H)	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(C[6a]C[6a]2)(C[6]C[6]2H)(CCH)(H)	H(C[6]C[6]2C)	107.1495	0.377	2	107.1495	0.142	2	107.5707	0.603	3	107.2705	0.659	15	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]HN)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(NHS)(H)	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(C[6a]C[6a]2)(C[6]C[6]2H)(NHS)(H)	H(C[6]C[6]2C)	106.7595	0.433	2	106.9518	0.118	4	107.2495	0.729	11	107.2705	0.659	15	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]HN)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(NHS)(H)	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(C[6a]C[6a]2)(C[6]C[6]2H)(NHS)(H)	H(C[6]C[6]2C)	107.1440	0.136	2	106.9518	0.118	4	107.2495	0.729	11	107.2705	0.659	15	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HN)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(NC[6a]H)(H)	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(C[6a]C[6a]2)(C[6]C[6]2H)(NC[6a]H)(H)	H(C[6]C[6]2C)	107.1788	1.395	4	107.1788	1.946	4	107.2495	0.729	11	107.2705	0.659	15	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(C[6]C[6]O)(CC[6a]HN)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(NC[6a]H)(H)	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(C[6a]C[6a]2)(C[6]C[6]2H)(NC[6a]H)(H)	H(C[6]C[6]2C)	107.7407	0.045	3	107.7407	0.002	3	107.2495	0.729	11	107.2705	0.659	15	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(CC[5a]CH)(H)	C(C[5a]C[5a]S[5a])(C[6]C[6]2H)(CHHN)(H)	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(C[5a]C[5a]S[5a])(C[6]C[6]2H)(CHHN)(H)	H(C[6]C[6]2C)	107.0030	0.000	1	107.0030	0.000	1	107.0030	0.000	1	107.6869	1.213	18	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-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(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(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(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	H(C[6]C[6]2C)	108.3160	0.000	1	108.3160	0.000	1	107.7272	1.258	17	107.6869	1.213	18	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]O[6]O)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CHHN)(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(C[6a]C[6a]2)(C[6]C[6]2H)(CHHN)(H)	H(C[6]C[6]2C)	106.0900	0.000	1	106.0900	0.000	1	107.7272	1.258	17	107.6869	1.213	18	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(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(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)(H)	H(C[6]C[6]2C)	105.9660	0.000	1	105.9660	0.000	1	107.7272	1.258	17	107.6869	1.213	18	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]N[6]O)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	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(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	H(C[6]C[6]2C)	106.1580	0.000	1	106.1580	0.000	1	107.7272	1.258	17	107.6869	1.213	18	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCCH)(H)	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(C[6a]C[6a]2)(C[6]C[6]2H)(CCCH)(H)	H(C[6]C[6]2C)	108.7480	0.000	1	108.7480	0.000	1	107.7272	1.258	17	107.6869	1.213	18	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCCH)(H)	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(C[6a]C[6a]2)(C[6]C[6]2H)(CCCH)(H)	H(C[6]C[6]2C)	108.2200	0.000	1	108.2200	0.000	1	107.7272	1.258	17	107.6869	1.213	18	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	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(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	H(C[6]C[6]2C)	105.6020	0.000	1	106.7090	2.451	2	107.7272	1.258	17	107.6869	1.213	18	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	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(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	H(C[6]C[6]2C)	107.8160	0.000	1	106.7090	2.451	2	107.7272	1.258	17	107.6869	1.213	18	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CHHN)(H)	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(C[6a]C[6a]2)(C[6]C[6]2H)(CHHN)(H)	H(C[6]C[6]2C)	107.9968	0.241	5	108.0400	0.056	7	107.7272	1.258	17	107.6869	1.213	18	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CHHN)(H)	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(C[6a]C[6a]2)(C[6]C[6]2H)(CHHN)(H)	H(C[6]C[6]2C)	108.1480	0.266	2	108.0400	0.056	7	107.7272	1.258	17	107.6869	1.213	18	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]S)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	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(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	H(C[6]C[6]2C)	108.3630	0.000	1	108.3630	0.000	1	107.7272	1.258	17	107.6869	1.213	18	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]O)(CC[6a]CH)(H)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)(CCHH)(H)	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(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)(CCHH)(H)	H(C[6]C[6]2C)	109.8030	0.000	1	109.8030	0.000	1	107.7272	1.258	17	107.6869	1.213	18	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:O-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]CO)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)(OH)	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(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)(OH)	H(C[6]C[6]2C)	106.0150	0.000	1	106.0150	0.000	1	106.0150	0.000	1	106.0150	0.000	1	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	3:4:4:3:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CC)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)(CCH)	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(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)(CCH)	H(C[6]C[6]2C)	106.2920	0.000	1	106.2920	0.000	1	106.2920	0.000	1	106.2920	0.000	1	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	3:4:4:4:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5a]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]O)(CC[5a]CC)(H)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(CH3)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(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(CH3)2	H(C[6]C[6]2C)	107.3250	0.000	1	107.3250	0.000	1	106.5229	0.532	7	106.5229	0.532	7	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	3:4:4:4:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5a]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CC)(H)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(CH3)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(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(CH3)2	H(C[6]C[6]2C)	106.1395	0.510	2	106.3892	0.488	6	106.5229	0.532	7	106.5229	0.532	7	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	3:4:4:4:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5a]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CC)(H)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(CH3)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(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(CH3)2	H(C[6]C[6]2C)	106.5560	0.000	1	106.3892	0.488	6	106.5229	0.532	7	106.5229	0.532	7	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	3:4:4:4:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5a]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CC)(H)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(CH3)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(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(CH3)2	H(C[6]C[6]2C)	105.3480	0.000	1	106.3892	0.488	6	106.5229	0.532	7	106.5229	0.532	7	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	3:4:4:4:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5a]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CC)(H)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(CH3)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(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(CH3)2	H(C[6]C[6]2C)	107.0760	0.034	2	106.3892	0.488	6	106.5229	0.532	7	106.5229	0.532	7	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[3x6]-4:C[6,6a]-3:C-4:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6,6a]C[3x6]H)(H)3	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(C[6]C[6,6a]C[3x6]H)(H)3	H(C[6]C[6,6a]C[3x6]C)	107.8090	0.000	1	107.8090	0.000	1	107.8090	0.000	1	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[4,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[5,6]O)(CH3)(H)	C(C[6]C[4,6]C[6]H)(H)3	H(C[6]C[4,6]C[6]C)	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[5,6]O)(CH3)(H){1|O<2>,2|H<1>,4|C<4>}	C(C[6]C[4,6]C[6]H)(H)3	H(C[6]C[4,6]C[6]C)	106.9390	0.000	1	106.9390	0.000	1	106.9390	0.000	1	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,5,6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1: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]H)(CH3)(H)	C(C[6]C[5,5,6,6]C[6]H)(H)3	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]H)(CH3)(H){1|O<1>,2|C<4>,3|H<1>,3|O<2>}	C(C[6]C[5,5,6,6]C[6]H)(H)3	H(C[6]C[5,5,6,6]C[6]C)	107.8895	0.299	2	107.8895	0.089	2	107.8895	0.089	2	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1: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]H)(CH3)(H)	C(C[6]C[5,5,6]C[6]H)(H)3	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]H)(CH3)(H){1|C<3>,4|H<1>,5|C<4>}	C(C[6]C[5,5,6]C[6]H)(H)3	H(C[6]C[5,5,6]C[6]C)	106.6140	0.305	2	106.6140	0.093	2	106.6140	0.093	2	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,5,6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]N[5]O[5])(N[6]C[6]H)(CH3)(H)	C(C[6]C[5,5,6]N[6]H)(H)3	H(C[6]C[5,5,6]N[6]C)	C[6](C[5,5,6]C[5,5,6]N[5]O[5])(N[6]C[6]H)(CH3)(H){2|C<4>,3|C<3>,3|H<1>}	C(C[6]C[5,5,6]N[6]H)(H)3	H(C[6]C[5,5,6]N[6]C)	108.2860	0.000	1	108.2860	0.000	1	108.2860	0.000	1	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6,6]-4:C[6,6a]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(H)	C(C[6]C[5,6,6]C[6,6a]H)(H)3	H(C[6]C[5,6,6]C[6,6a]C)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C(C[6]C[5,6,6]C[6,6a]H)(H)3	H(C[6]C[5,6,6]C[6,6a]C)	106.7390	0.000	1	106.7390	0.000	1	106.7390	0.000	1	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:Br-1: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]O)(CBrHH)(H)	C(C[6]C[5,6,6]C[6]H)(Br)(H)2	H(C[6]C[5,6,6]C[6]C)	C[6](C[5,6,6]C[3,5]C[5,6]C[6,6])(C[6]C[6,6]O)(CBrHH)(H){1|O<2>,5|C<4>,5|H<1>}	C(C[6]C[5,6,6]C[6]H)(Br)(H)2	H(C[6]C[5,6,6]C[6]C)	102.7480	0.000	1	102.7480	0.000	1	102.7480	0.000	1	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1: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]H)(CH3)(H)	C(C[6]C[5,6,6]C[6]H)(H)3	H(C[6]C[5,6,6]C[6]C)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]H)(CH3)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C(C[6]C[5,6,6]C[6]H)(H)3	H(C[6]C[5,6,6]C[6]C)	107.0789	0.170	7	107.0789	0.029	7	106.8613	0.173	10	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1: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]O)(CH3)(H)	C(C[6]C[5,6,6]C[6]H)(H)3	H(C[6]C[5,6,6]C[6]C)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]O)(CH3)(H){1|O<1>,2|H<1>,4|C<4>}	C(C[6]C[5,6,6]C[6]H)(H)3	H(C[6]C[5,6,6]C[6]C)	106.7740	0.000	1	106.7740	0.000	1	106.8613	0.173	10	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1: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[5,6]O)(CH3)(H)	C(C[6]C[5,6,6]C[6]H)(H)3	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[5,6]O)(CH3)(H){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	C(C[6]C[5,6,6]C[6]H)(H)3	H(C[6]C[5,6,6]C[6]C)	106.1435	0.136	2	106.1435	0.019	2	106.8613	0.173	10	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5,6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]C[5])(CH3)(H)	C(C[6]C[5,6]2H)(H)3	H(C[6]C[5,6]2C)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]C[5])(CH3)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6]C[5,6]2H)(H)3	H(C[6]C[5,6]2C)	106.2370	0.000	1	106.5815	0.237	2	106.5815	0.237	2	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5,6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]C[5])(CH3)(H)	C(C[6]C[5,6]2H)(H)3	H(C[6]C[5,6]2C)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]C[5])(CH3)(H){1|Si<4>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]2H)(H)3	H(C[6]C[5,6]2C)	106.9260	0.000	1	106.5815	0.237	2	106.5815	0.237	2	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6,6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]2)(CH3)(H)	C(C[6]C[5,6]C[6,6]H)(H)3	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]2)(CH3)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,4|C<4>}	C(C[6]C[5,6]C[6,6]H)(H)3	H(C[6]C[5,6]C[6,6]C)	108.0160	0.000	1	108.0160	0.000	1	108.6705	0.857	2	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6,6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(CH3)(H)	C(C[6]C[5,6]C[6,6]H)(H)3	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])(CH3)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C(C[6]C[5,6]C[6,6]H)(H)3	H(C[6]C[5,6]C[6,6]C)	109.3250	0.000	1	109.3250	0.000	1	108.6705	0.857	2	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6,6a]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(H)	C(C[6]C[6,6a]C[5,6]H)(H)3	H(C[6]C[6,6a]C[5,6]C)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(H){1|H<1>,1|N<3>,2|O<2>,4|C<3>}	C(C[6]C[6,6a]C[5,6]H)(H)3	H(C[6]C[6,6a]C[5,6]C)	109.7630	0.000	1	109.7630	0.000	1	109.7630	0.000	1	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[3,5,6]C[5]H)(C[6]C[6]C)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[3,5,6]C[5]H)(C[6]C[6]C)(CH3)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	107.9990	0.000	1	107.9990	0.000	1	106.8554	0.671	59	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[3,5,6]C[5]H)(C[6]C[6]H)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[3,5,6]C[5]H)(C[6]C[6]H)(CH3)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	108.0810	0.000	1	108.0810	0.000	1	106.8554	0.671	59	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[3x5,6]C[5]C)(C[6]C[6]H)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[3x5,6]C[5]C)(C[6]C[6]H)(CH3)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	106.5480	0.000	1	106.5480	0.000	1	106.8554	0.671	59	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]C)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]C)(CH3)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	108.1240	0.000	1	108.1240	0.000	1	106.8554	0.671	59	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]H)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]H)(CH3)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	105.9200	0.000	1	105.9200	0.000	1	106.8554	0.671	59	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]O)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]O)(CH3)(H){1|O<1>,6|C<4>}	C(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	108.2760	1.607	2	108.2760	2.581	2	106.8554	0.671	59	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	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]H)(CH3)(H){1|C<3>,3|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	107.1710	0.138	4	107.1710	0.019	4	106.8554	0.671	59	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	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]O)(CH3)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	106.9620	0.000	1	106.9620	0.000	1	106.8554	0.671	59	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[6]H)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	105.2440	0.000	1	105.2440	0.000	1	106.8554	0.671	59	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	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]C)(CH3)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	106.3538	0.216	5	106.4405	0.083	6	106.8554	0.671	59	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	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]C)(CH3)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	106.8740	0.000	1	106.4405	0.083	6	106.8554	0.671	59	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]O)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]O)(CH3)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	106.4940	0.000	1	106.4940	0.000	1	106.8554	0.671	59	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CH3)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	106.1090	0.000	1	106.1090	0.000	1	106.8554	0.671	59	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	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]C)(CH3)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	107.2180	0.000	1	107.2180	0.000	1	106.8554	0.671	59	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	106.5535	0.334	4	106.2288	0.118	12	106.8554	0.671	59	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<2>}	C(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	106.0500	0.000	1	106.2288	0.118	12	106.8554	0.671	59	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	106.0689	0.235	7	106.2288	0.118	12	106.8554	0.671	59	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	106.0440	0.000	1	105.8648	0.772	4	106.8554	0.671	59	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	105.7770	1.506	2	105.8648	0.772	4	106.8554	0.671	59	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	105.8610	0.000	1	105.8648	0.772	4	106.8554	0.671	59	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	107.6520	0.000	1	107.6520	0.000	1	106.8554	0.671	59	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]N[6]O)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]O)(C[6]N[6]O)(CH3)(H){2|C<3>,2|H<1>,3|C<4>}	C(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	107.7940	0.000	1	107.7940	0.000	1	106.8554	0.671	59	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]O)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]O)(CH3)(H){3|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	107.1770	0.420	2	107.1770	0.176	2	106.8554	0.671	59	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(CH3)(H){1|O<2>,2|C<4>,3|C<3>}	C(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	107.5610	0.000	1	107.5610	0.000	1	106.8554	0.671	59	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]O)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]O)(CH3)(H){3|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	107.5880	0.000	1	107.5880	0.000	1	106.8554	0.671	59	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]O)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	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]O)(CH3)(H){1|H<1>,1|O<2>,4|C<4>}	C(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	107.6500	0.000	1	107.6500	0.000	1	106.8554	0.671	59	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]H)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	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]H)(CH3)(H){1|C<4>,1|H<1>,4|C<3>}	C(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	106.4850	0.000	1	106.4850	0.000	1	106.8554	0.671	59	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6]H)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6]H)(CH3)(H){1|N<3>,1|O<1>,4|C<3>}	C(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	107.3410	0.000	1	107.3410	0.000	1	106.8554	0.671	59	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6]O)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6]O)(CH3)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	107.0540	0.000	1	107.0540	0.000	1	106.8554	0.671	59	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(CH3)(H){1|O<1>,2|C<3>,3|H<1>,3|O<2>}	C(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	106.2590	0.000	1	106.2590	0.000	1	106.8554	0.671	59	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]O)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]O)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	106.8740	0.000	1	106.8740	0.000	1	106.8554	0.671	59	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[5,6]H)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	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]H)(CH3)(H){1|O<1>,3|C<4>,3|H<1>,3|O<2>}	C(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	107.1710	0.000	1	107.1710	0.000	1	106.8554	0.671	59	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]O)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	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]O)(CH3)(H){1|O<2>,3|H<1>,5|C<4>}	C(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	107.4850	0.000	1	107.4850	0.000	1	106.8554	0.671	59	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6,6a]C[5]2)(C[6]N[6]O)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[6,6a]C[5]2)(C[6]N[6]O)(CH3)(H){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	106.4200	0.000	1	106.4200	0.000	1	106.8554	0.671	59	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]O)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]O)(CH3)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	107.7390	0.000	1	107.7390	0.000	1	106.8554	0.671	59	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CH3)(H){1|C<3>,2|H<1>,3|C<4>}	C(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	107.7535	0.384	2	107.6512	0.085	5	106.8554	0.671	59	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CH3)(H){2|H<1>,4|C<4>}	C(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	107.3600	0.000	1	107.6512	0.085	5	106.8554	0.671	59	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CH3)(H){3|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	107.6945	0.285	2	107.6512	0.085	5	106.8554	0.671	59	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]S)(CH3)(H)	C(C[6]C[5,6]N[6]H)(H)3	H(C[6]C[5,6]N[6]C)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]S)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[5,6]N[6]H)(H)3	H(C[6]C[5,6]N[6]C)	107.1780	0.000	1	107.1780	0.000	1	109.1583	2.437	6	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]C)(N[6]C[6]C)(CH3)(H)	C(C[6]C[5,6]N[6]H)(H)3	H(C[6]C[5,6]N[6]C)	C[6](C[5,6]C[5,6]N[5]C)(N[6]C[6]C)(CH3)(H){1|N<2>,2|C<4>,3|H<1>}	C(C[6]C[5,6]N[6]H)(H)3	H(C[6]C[5,6]N[6]C)	108.9830	0.000	1	108.9830	0.000	1	109.1583	2.437	6	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(CH3)(H)	C(C[6]C[5,6]N[6]H)(H)3	H(C[6]C[5,6]N[6]C)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(CH3)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(C[6]C[5,6]N[6]H)(H)3	H(C[6]C[5,6]N[6]C)	108.1890	0.000	1	108.1890	0.000	1	109.1583	2.437	6	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(N[6]N[6]H)(CH3)(H)	C(C[6]C[5,6]N[6]H)(H)3	H(C[6]C[5,6]N[6]C)	C[6](C[5,6]C[5,6]O[5]H)(N[6]N[6]H)(CH3)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[5,6]N[6]H)(H)3	H(C[6]C[5,6]N[6]C)	111.8390	0.000	1	111.8390	0.000	1	109.1583	2.437	6	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(N[6]O[6]C)(CH3)(H)	C(C[6]C[5,6]N[6]H)(H)3	H(C[6]C[5,6]N[6]C)	C[6](C[5,6]C[5,6]O[5]H)(N[6]O[6]C)(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[5,6]N[6]H)(H)3	H(C[6]C[5,6]N[6]C)	109.3805	0.078	2	109.3805	0.006	2	109.1583	2.437	6	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6,6]-4:C[5,6]-3:C-4:H-1:	C[6]-4:H-1:H-1: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(C[6]C[5,6]C[6,6]H)(H)3	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(C[6]C[5,6]C[6,6]H)(H)3	H(C[6]C[5,6]C[6,6]C)	107.6620	0.000	1	107.6620	0.000	1	107.6620	0.000	1	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6,6]-4:C[5a,6]-3:C-4:H-1:	C[6]-4:H-1:H-1: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(C[6]C[5a,6]C[6,6]H)(H)3	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(C[6]C[5a,6]C[6,6]H)(H)3	H(C[6]C[5a,6]C[6,6]C)	107.7217	0.159	3	107.7217	0.025	3	107.7217	0.025	3	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6,6a]-3:C-4:H-1:	C[6]-4:Br-1:H-1:H-1:	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(C[6]C[6,6a]C[6,6]H)(Br)(H)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(C[6]C[6,6a]C[6,6]H)(Br)(H)2	H(C[6]C[6,6a]C[6,6]C)	106.1100	0.000	1	106.1100	0.000	1	106.1100	0.000	1	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6,6a]-3:C-4:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6,6a]C[6,6]H)(H)3	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(C[6]C[6,6a]C[6,6]H)(H)3	H(C[6]C[6,6a]C[6,6]C)	107.8400	0.000	1	107.8400	0.000	1	107.8400	0.000	1	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	106.4890	0.000	1	106.4890	0.000	1	106.6400	1.728	62	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]C)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	106.4890	0.000	1	106.4890	0.000	1	106.6400	1.728	62	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]O)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	105.8463	0.279	14	105.8463	0.078	14	106.6400	1.728	62	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	105.9775	0.289	6	105.9954	0.072	7	106.6400	1.728	62	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	106.1030	0.000	1	105.9954	0.072	7	106.6400	1.728	62	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]N)(C[6]O[6]O)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	105.4560	0.000	1	105.4560	0.000	1	106.6400	1.728	62	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	108.2985	0.309	2	108.2985	0.095	2	106.6400	1.728	62	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	103.5740	0.000	1	103.5740	0.000	1	106.6400	1.728	62	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	107.5270	0.000	1	107.5270	0.000	1	106.6400	1.728	62	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	108.4260	0.000	1	108.4260	0.000	1	106.6400	1.728	62	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	107.6870	0.000	1	107.6870	0.000	1	106.6400	1.728	62	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	108.4010	0.000	1	108.4010	0.000	1	106.6400	1.728	62	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	107.8050	0.131	3	107.8050	0.017	3	106.6400	1.728	62	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	112.5430	0.000	1	112.5430	0.000	1	106.6400	1.728	62	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	105.5590	0.468	2	105.5590	0.219	2	106.6400	1.728	62	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	107.8790	0.000	1	106.6814	1.597	13	106.6400	1.728	62	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	107.9700	0.049	2	106.6814	1.597	13	106.6400	1.728	62	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	107.4940	1.372	2	106.6814	1.597	13	106.6400	1.728	62	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	106.0064	1.039	8	106.6814	1.597	13	106.6400	1.728	62	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	107.4340	0.000	1	107.4340	0.000	1	106.6400	1.728	62	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	106.8750	0.000	1	106.8750	0.000	1	106.6400	1.728	62	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]N[6]O)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	107.4990	0.000	1	107.4990	0.000	1	106.6400	1.728	62	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	106.1130	0.000	1	106.1130	0.000	1	106.6400	1.728	62	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	106.8120	0.000	1	106.8120	0.000	1	106.6400	1.728	62	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]O)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	107.1120	0.000	1	107.1120	0.000	1	106.6400	1.728	62	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	106.5570	0.000	1	106.5570	0.000	1	106.6400	1.728	62	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	105.5450	0.000	1	105.5450	0.000	1	106.6400	1.728	62	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	108.4810	0.000	1	108.4810	0.000	1	106.6400	1.728	62	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	107.0750	0.000	1	107.0750	0.000	1	106.6400	1.728	62	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	106.8910	0.260	2	106.8910	0.068	2	106.6400	1.728	62	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6,6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6,6]N[6]H)(H)3	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(C[6]C[6,6]N[6]H)(H)3	H(C[6]C[6,6]N[6]C)	106.5210	0.000	1	106.6820	0.533	3	106.6820	0.533	3	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6,6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6,6]N[6]H)(H)3	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(C[6]C[6,6]N[6]H)(H)3	H(C[6]C[6,6]N[6]C)	106.7625	1.013	2	106.6820	0.533	3	106.6820	0.533	3	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:F-1:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CF3)(H)	C(C[6]C[6]2H)(F)3	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(C[6]C[6]2H)(F)3	H(C[6]C[6]2C)	108.5200	0.000	1	108.5200	0.000	1	108.5200	0.000	1	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]B[5]C[6]H)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.0900	0.000	1	106.0900	0.000	1	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	105.3530	0.000	1	105.3530	0.000	1	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[5,6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.1320	0.000	1	108.1320	0.000	1	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.6190	0.000	1	106.0160	0.289	3	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	105.7145	0.182	2	106.0160	0.289	3	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.6690	0.000	1	108.6690	0.000	1	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[5]O)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.1240	0.000	1	107.1240	0.000	1	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.3680	0.000	1	107.6590	0.226	3	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.8045	0.571	2	107.6590	0.226	3	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.1820	0.000	1	107.1820	0.000	1	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	105.9850	0.000	1	105.9850	0.000	1	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.2390	0.000	1	107.2390	0.000	1	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5a,6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.6750	0.000	1	107.6750	0.000	1	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.3315	0.849	6	106.3315	0.721	6	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.5090	0.000	1	107.5090	0.000	1	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.5060	0.000	1	107.5060	0.000	1	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.3950	0.000	1	107.3950	0.000	1	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6,6a]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.3260	0.000	1	106.3260	0.000	1	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]N[6]H)(C[6]N[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.8445	2.078	2	106.8445	4.319	2	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.6930	0.000	1	106.6930	0.000	1	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.1000	0.000	1	107.6017	0.249	4	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.2810	0.000	1	107.6017	0.249	4	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.5130	0.137	2	107.6017	0.249	4	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a]O[6]H)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	112.6190	0.000	1	112.6190	0.000	1	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.5840	0.000	1	107.5840	0.000	1	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]H)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.3820	0.000	1	106.3820	0.000	1	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.7840	0.000	1	106.7840	0.000	1	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.8005	0.135	6	106.4094	2.051	16	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.1748	1.801	10	106.4094	2.051	16	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.3480	0.000	1	106.3480	0.000	1	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]N[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.2570	0.000	1	106.2570	0.000	1	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.3355	0.056	2	107.5895	0.108	4	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.8435	0.248	2	107.5895	0.108	4	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.6625	0.176	2	107.6625	0.031	2	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.5650	0.000	1	106.5650	0.000	1	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.6835	3.065	2	106.6835	9.396	2	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6,6a]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	105.2070	0.000	1	105.2070	0.000	1	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.6250	0.000	1	107.6250	0.000	1	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.1110	0.000	1	106.3155	1.266	2	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	105.5200	0.000	1	106.3155	1.266	2	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.1568	0.481	6	108.0540	0.267	7	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.4370	0.000	1	108.0540	0.267	7	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.3190	0.000	1	106.9809	0.715	16	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.0224	0.640	5	106.9809	0.715	16	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.1320	0.000	1	106.9809	0.715	16	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.1285	0.028	2	106.9809	0.715	16	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.2065	0.139	2	106.9809	0.715	16	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.3640	0.000	1	106.9809	0.715	16	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.2300	0.000	1	106.9809	0.715	16	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	109.3180	0.000	1	106.9809	0.715	16	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.8570	0.000	1	106.9809	0.715	16	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	105.6920	0.000	1	106.9809	0.715	16	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.1520	0.000	1	117.5715	260.810	2	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	128.9910	0.000	1	117.5715	260.810	2	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.6730	0.000	1	107.6730	0.000	1	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]N[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.7035	0.206	2	106.7035	0.042	2	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CP)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.2040	0.000	1	106.9775	0.103	2	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CP)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.7510	0.000	1	106.9775	0.103	2	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.7730	0.000	1	107.7730	0.000	1	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.6720	0.000	1	107.5892	0.427	4	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.1600	0.550	2	107.5892	0.427	4	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.3650	0.000	1	107.5892	0.427	4	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.9070	0.000	1	107.8688	0.808	5	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.7080	0.000	1	107.8688	0.808	5	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.4530	0.000	1	107.8688	0.808	5	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.7300	0.000	1	107.8688	0.808	5	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.5460	0.000	1	107.8688	0.808	5	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.4180	0.000	1	107.8237	0.896	3	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.7320	0.000	1	107.8237	0.896	3	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.3210	0.000	1	107.8237	0.896	3	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.6370	0.000	1	107.3397	1.343	8	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.7550	0.000	1	107.3397	1.343	8	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.0330	0.218	3	107.3397	1.343	8	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.3380	2.319	2	107.3397	1.343	8	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.5510	0.000	1	107.3397	1.343	8	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]S)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.9800	0.000	1	107.9800	0.000	1	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]N)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.7230	0.000	1	107.7230	0.000	1	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	109.0690	0.000	1	109.0690	0.000	1	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.7760	0.705	4	106.7760	0.497	4	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]C)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.8950	0.000	1	107.8950	0.000	1	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.3810	0.000	1	107.3810	0.000	1	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.2100	0.260	2	107.2100	0.068	2	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.7987	0.424	3	106.9868	0.261	4	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.5510	0.000	1	106.9868	0.261	4	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.1869	1.000	7	107.1869	0.999	7	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.4640	0.000	1	108.4640	0.000	1	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]C)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.0110	0.000	1	107.0110	0.000	1	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.0530	0.000	1	107.3870	0.109	4	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.3260	0.000	1	107.3870	0.109	4	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.5845	0.367	2	107.3870	0.109	4	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.3375	0.115	2	108.3375	0.013	2	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.9003	1.107	3	106.7702	0.754	5	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.0440	0.000	1	106.7702	0.754	5	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.1060	0.000	1	106.7702	0.754	5	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.6180	0.000	1	107.6180	0.000	1	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]N[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.7420	0.000	1	108.0310	3.323	2	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]N[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	109.3200	0.000	1	108.0310	3.323	2	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]Pd)(C[6]C[6a]C[6])(CH3)(H)	C(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]Pd)(C[6]C[6a]C[6])(CH3)(H){1|H<1>,2|C<4>,4|C<3>}	C(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.5850	0.105	2	106.5850	0.011	2	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]C)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.4480	0.000	1	108.4480	0.000	1	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.1300	0.000	1	107.4776	0.405	16	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.6640	0.000	1	107.4776	0.405	16	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.7073	1.010	4	107.4776	0.405	16	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.6100	0.413	2	107.4776	0.405	16	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.4515	0.851	2	107.4776	0.405	16	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.3160	0.354	6	107.4776	0.405	16	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.1320	0.000	1	107.5547	0.524	48	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.0391	0.324	15	107.5547	0.524	48	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.3520	0.000	1	107.5547	0.524	48	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.8409	0.854	22	107.5547	0.524	48	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.6149	0.355	8	107.5547	0.524	48	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.1360	0.000	1	107.5547	0.524	48	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.3460	0.277	4	107.5688	0.167	6	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.0145	0.107	2	107.5688	0.167	6	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]CC)(C[6]C[6]C)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	105.7940	0.000	1	105.7940	0.000	1	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.1310	1.006	3	106.6535	0.754	6	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.1260	0.307	2	106.6535	0.754	6	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.2760	0.000	1	106.6535	0.754	6	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.0490	0.000	1	108.0490	0.000	1	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]N[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.2607	2.050	3	106.2607	4.200	3	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.8840	0.000	1	107.2255	0.867	2	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.5670	0.000	1	107.2255	0.867	2	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.6620	0.322	4	108.6360	0.081	5	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	C[6](C[6]O[6]CH)(C[6]C[6]H)(CH3)(H){2|C<4>}	C(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.5320	0.000	1	108.6360	0.081	5	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.6987	0.930	3	107.4422	1.603	12	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.4820	2.429	3	107.4422	1.603	12	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.7285	0.703	4	107.4422	1.603	12	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.2170	0.000	1	107.4422	1.603	12	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H){2|C<3>}	C(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.6330	0.000	1	107.4422	1.603	12	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	95.1978	0.000	1	95.1978	0.000	1	107.3175	3.462	260	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:I-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHHI)(H)	C(C[6]C[6]2H)(H)2(I)	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(C[6]C[6]2H)(H)2(I)	H(C[6]C[6]2C)	107.4360	0.000	1	107.4360	0.000	1	107.4360	0.000	1	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[3,6]-3:C-4:H-1:	C[6]-4:H-1:H-1: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(C[6]N[3,6]C[6]H)(H)3	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(C[6]N[3,6]C[6]H)(H)3	H(C[6]N[3,6]C[6]C)	112.2745	0.278	2	112.2745	0.077	2	112.2745	0.077	2	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:Br-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(CBrHH)(H)	C(C[6]C[6]N[6]H)(Br)(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(C[6]C[6]N[6]H)(Br)(H)2	H(C[6]C[6]N[6]C)	108.7770	0.000	1	108.7770	0.000	1	108.1335	0.267	6	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:Br-1:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]HH)(N[6]C[6]S)(CBrHH)(H)	C(C[6]C[6]N[6]H)(Br)(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(C[6]C[6]N[6]H)(Br)(H)2	H(C[6]C[6]N[6]C)	108.7670	0.000	1	108.7670	0.000	1	108.1335	0.267	6	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:Br-1:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(CBrHH)(H)	C(C[6]C[6]N[6]H)(Br)(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(C[6]C[6]N[6]H)(Br)(H)2	H(C[6]C[6]N[6]C)	107.8143	0.192	4	107.8143	0.037	4	108.1335	0.267	6	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:Cl-1:Cl-1:Cl-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCl3)(H)	C(C[6]C[6]N[6]H)(Cl)3	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(C[6]C[6]N[6]H)(Cl)3	H(C[6]C[6]N[6]C)	106.2020	0.000	1	106.2020	0.000	1	107.2490	0.823	3	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:Cl-1:Cl-1:Cl-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCl3)(H)	C(C[6]C[6]N[6]H)(Cl)3	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(C[6]C[6]N[6]H)(Cl)3	H(C[6]C[6]N[6]C)	107.7725	0.049	2	107.7725	0.002	2	107.2490	0.823	3	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:Cl-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HO)(N[6]C[6]C)(CClHH)(H)	C(C[6]C[6]N[6]H)(Cl)(H)2	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(C[6]C[6]N[6]H)(Cl)(H)2	H(C[6]C[6]N[6]C)	107.9665	1.933	2	107.9665	3.735	2	107.9240	1.251	4	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:Cl-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CClHH)(H)	C(C[6]C[6]N[6]H)(Cl)(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(C[6]C[6]N[6]H)(Cl)(H)2	H(C[6]C[6]N[6]C)	107.8050	0.000	1	107.8050	0.000	1	107.9240	1.251	4	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:Cl-1:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]S)(CClHH)(H)	C(C[6]C[6]N[6]H)(Cl)(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(C[6]C[6]N[6]H)(Cl)(H)2	H(C[6]C[6]N[6]C)	107.9580	0.000	1	107.9580	0.000	1	107.9240	1.251	4	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:F-1:F-1:F-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(CF3)(H)	C(C[6]C[6]N[6]H)(F)3	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(C[6]C[6]N[6]H)(F)3	H(C[6]C[6]N[6]C)	106.9160	0.000	1	106.9160	0.000	1	107.0980	0.025	3	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:F-1:F-1:F-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(N[6]N[6]H)(CF3)(H)	C(C[6]C[6]N[6]H)(F)3	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(C[6]C[6]N[6]H)(F)3	H(C[6]C[6]N[6]C)	107.1890	0.014	2	107.1890	0.000	2	107.0980	0.025	3	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6,6]HO)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	106.9470	0.000	1	106.9470	0.000	1	107.8644	1.133	134	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6,6a]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	109.0590	0.372	2	109.0590	0.138	2	107.8644	1.133	134	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	107.0490	0.000	1	107.0490	0.000	1	107.8644	1.133	134	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(N[6]C[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	107.6950	0.000	1	107.6950	0.000	1	107.8644	1.133	134	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]O)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	106.6250	0.000	1	106.6250	0.000	1	107.8644	1.133	134	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	106.8665	0.035	2	106.8665	0.001	2	107.8644	1.133	134	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(N[6]C[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	107.4770	0.000	1	107.4770	0.000	1	107.8644	1.133	134	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	107.2710	0.000	1	107.2710	0.000	1	107.8644	1.133	134	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	108.3420	0.000	1	108.3420	0.000	1	107.8644	1.133	134	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HS)(N[6]C[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	107.5870	0.249	2	107.5870	0.062	2	107.8644	1.133	134	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]2)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	107.3280	0.000	1	107.3280	0.000	1	107.8644	1.133	134	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	108.1765	0.090	2	107.8937	0.244	3	107.8644	1.133	134	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	107.3280	0.000	1	107.8937	0.244	3	107.8644	1.133	134	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]O)(N[6]S[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	107.2590	0.000	1	107.2590	0.000	1	107.8644	1.133	134	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	107.7315	0.206	2	107.8014	0.147	5	107.8644	1.133	134	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	107.3270	0.000	1	107.8014	0.147	5	107.8644	1.133	134	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	108.1085	0.351	2	107.8014	0.147	5	107.8644	1.133	134	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	107.7400	0.000	1	107.7400	0.000	1	107.8644	1.133	134	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	107.8825	0.435	2	107.8825	0.189	2	107.8644	1.133	134	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]FF)(N[6]C[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	111.2865	0.804	2	111.2865	0.646	2	107.8644	1.133	134	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]2)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	108.5730	0.000	1	108.5730	0.000	1	107.8644	1.133	134	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	107.0863	0.416	3	107.1111	0.895	35	107.8644	1.133	134	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	106.6560	0.000	1	107.1111	0.895	35	107.8644	1.133	134	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	106.4855	4.385	2	107.1111	0.895	35	107.8644	1.133	134	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	107.8500	0.000	1	107.1111	0.895	35	107.8644	1.133	134	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	107.9580	0.000	1	107.1111	0.895	35	107.8644	1.133	134	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	107.2570	0.000	1	107.1111	0.895	35	107.8644	1.133	134	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	107.8372	0.152	4	107.1111	0.895	35	107.8644	1.133	134	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	108.4795	0.177	2	107.1111	0.895	35	107.8644	1.133	134	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	106.4800	0.000	1	107.1111	0.895	35	107.8644	1.133	134	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	106.8500	0.229	19	107.1111	0.895	35	107.8644	1.133	134	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	108.6100	0.000	1	108.4674	1.523	7	107.8644	1.133	134	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	107.9575	0.645	4	108.4674	1.523	7	107.8644	1.133	134	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	109.4160	2.243	2	108.4674	1.523	7	107.8644	1.133	134	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	108.5870	0.000	1	108.5870	0.000	1	107.8644	1.133	134	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	107.1952	0.212	5	107.4977	0.146	11	107.8644	1.133	134	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	107.6015	0.385	2	107.4977	0.146	11	107.8644	1.133	134	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	107.7023	0.162	3	107.4977	0.146	11	107.8644	1.133	134	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	108.1890	0.000	1	107.4977	0.146	11	107.8644	1.133	134	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]N[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	108.2550	0.000	1	108.2550	0.000	1	107.8644	1.133	134	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]S[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	107.8220	0.000	1	107.8220	0.000	1	107.8644	1.133	134	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	106.2800	0.000	1	106.2800	0.000	1	107.8644	1.133	134	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	107.6870	0.000	1	107.6870	0.000	1	107.8644	1.133	134	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]MoH)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]MoH)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	107.3070	0.000	1	107.3070	0.000	1	107.8644	1.133	134	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(N[6]C[6]S)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	107.4345	0.078	2	107.4345	0.006	2	107.8644	1.133	134	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(N[6]C[6,6a]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	109.1390	0.000	1	109.1390	0.000	1	107.8644	1.133	134	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	107.5920	0.000	1	108.3623	1.170	3	107.8644	1.133	134	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	109.5990	0.000	1	108.3623	1.170	3	107.8644	1.133	134	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	107.8960	0.000	1	108.3623	1.170	3	107.8644	1.133	134	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(N[6]N[6,6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	109.1043	0.423	3	109.1043	0.179	3	107.8644	1.133	134	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(N[6]N[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	108.1805	0.837	4	107.9567	0.445	7	107.8644	1.133	134	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(N[6]N[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	107.6583	0.226	3	107.9567	0.445	7	107.8644	1.133	134	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]O)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	107.0730	0.000	1	107.0730	0.000	1	107.8644	1.133	134	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]S[6]H)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	107.4870	0.000	1	107.4870	0.000	1	107.8644	1.133	134	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	107.6810	0.000	1	107.9111	0.610	8	107.8644	1.133	134	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	107.6640	0.000	1	107.9111	0.610	8	107.8644	1.133	134	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	108.7320	0.000	1	107.9111	0.610	8	107.8644	1.133	134	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	107.1610	0.000	1	107.9111	0.610	8	107.8644	1.133	134	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	108.4420	0.000	1	107.9111	0.610	8	107.8644	1.133	134	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	107.2200	0.313	2	107.9111	0.610	8	107.8644	1.133	134	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	109.1690	0.000	1	107.9111	0.610	8	107.8644	1.133	134	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	109.1280	0.000	1	109.0740	0.364	15	107.8644	1.133	134	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	109.0915	0.675	12	109.0740	0.364	15	107.8644	1.133	134	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	108.7900	0.000	1	109.0740	0.364	15	107.8644	1.133	134	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	109.0940	0.000	1	109.0740	0.364	15	107.8644	1.133	134	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]N)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	109.0580	0.000	1	109.0580	0.000	1	107.8644	1.133	134	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]S)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	108.1090	0.000	1	108.1410	0.002	2	107.8644	1.133	134	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]S)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	108.1730	0.000	1	108.1410	0.002	2	107.8644	1.133	134	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]O[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	107.4270	0.000	1	107.4270	0.000	1	107.8644	1.133	134	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]S)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	108.0680	0.000	1	108.0680	0.000	1	107.8644	1.133	134	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6]Re)(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	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(C[6]C[6]O[6]H)(H)3	H(C[6]C[6]O[6]C)	106.5970	0.000	1	106.5970	0.000	1	106.5970	0.000	1	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:S[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6]O)(CH3)(H)	C(C[6]C[6]S[6]H)(H)3	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(C[6]C[6]S[6]H)(H)3	H(C[6]C[6]S[6]C)	108.5210	0.328	2	108.5947	0.070	3	108.2348	0.718	5	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:S[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6]O)(CH3)(H)	C(C[6]C[6]S[6]H)(H)3	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(C[6]C[6]S[6]H)(H)3	H(C[6]C[6]S[6]C)	108.7420	0.000	1	108.5947	0.070	3	108.2348	0.718	5	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:S[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(S[6]C[6]O)(CH3)(H)	C(C[6]C[6]S[6]H)(H)3	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(C[6]C[6]S[6]H)(H)3	H(C[6]C[6]S[6]C)	107.6950	1.327	2	107.6950	1.760	2	108.2348	0.718	5	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	N[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]CC)(C[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	C[6](N[6]C[6]CC)(C[6]C[6]C)(CH3)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	106.6060	0.000	1	106.6060	0.000	1	107.3613	0.428	3	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	N[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]HH)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	C[6](N[6]C[6]HH)(C[6]C[6]H)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	107.7390	0.023	2	107.7390	0.001	2	107.3613	0.428	3	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:1:1:1:	4:	P[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](P[6]C[6a]O[6]O)(N[6]C[6]H)(CH3)(H)	C(C[6]N[6]P[6]H)(H)3	H(C[6]N[6]P[6]C)	C[6](P[6]C[6a]O[6]O)(N[6]C[6]H)(CH3)(H){2|C<3>,3|C<4>}	C(C[6]N[6]P[6]H)(H)3	H(C[6]N[6]P[6]C)	109.3203	0.635	3	109.3203	0.404	3	109.3203	0.404	3	107.3798	2.448	586	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-2:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CC)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(CCHH)(H){1|O<1>,3|C<4>,6|H<1>}	C(C[6]C[5,6]C[6]H)(CC)(H)2	H(C[6]C[5,6]C[6]C)	106.6070	0.000	1	106.6070	0.000	1	106.6070	0.000	1	107.7659	1.826	70	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:N-2:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CHHN)(H)	C(C[6]C[5,6]C[6]H)(NN)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CHHN)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[5,6]C[6]H)(NN)(H)2	H(C[6]C[5,6]C[6]C)	108.0400	0.881	2	108.0400	0.776	2	108.0400	0.776	2	107.7659	1.826	70	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5,6]-4:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(CHHO)(H)	C(C[6]C[5,6]N[6]H)(OH)(H)2	H(C[6]C[5,6]N[6]C)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(CHHO)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(C[6]C[5,6]N[6]H)(OH)(H)2	H(C[6]C[5,6]N[6]C)	107.3810	0.000	1	107.3810	0.000	1	108.8490	0.629	7	107.7659	1.826	70	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5,6]-4:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(CHHO)(H)	C(C[6]C[5,6]N[6]H)(OH)(H)2	H(C[6]C[5,6]N[6]C)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(CHHO)(H){1|O<2>,2|C<4>,3|H<1>}	C(C[6]C[5,6]N[6]H)(OH)(H)2	H(C[6]C[5,6]N[6]C)	108.3830	0.000	1	108.3830	0.000	1	108.8490	0.629	7	107.7659	1.826	70	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:2:1:1:	4:	C[5,6]-4:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(CHHO)(H)	C(C[6]C[5,6]N[6]H)(OH)(H)2	H(C[6]C[5,6]N[6]C)	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(CHHO)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(C[6]C[5,6]N[6]H)(OH)(H)2	H(C[6]C[5,6]N[6]C)	109.2358	0.404	5	109.2358	0.163	5	108.8490	0.629	7	107.7659	1.826	70	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]O[6]O)(CHHO)(H)	C(C[6]C[6,6]C[6]H)(OC[5])(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]O[6]O)(CHHO)(H){3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(OC[5])(H)2	H(C[6]C[6,6]C[6]C)	103.2040	0.000	1	103.2040	0.000	1	103.2040	0.000	1	107.7659	1.826	70	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:2:1:1:	4:	C[6,6]-4:N[6,6]-3:C-4:H-1:	C[6]-4:O-2:H-1: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(C[6]C[6,6]N[6,6]H)(OH)(H)2	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(C[6]C[6,6]N[6,6]H)(OH)(H)2	H(C[6]C[6,6]N[6,6]C)	105.6550	0.137	2	105.6550	0.019	2	105.6550	0.019	2	107.7659	1.826	70	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(CCHH)(H)	C(C[6]C[6]2H)(CN)(H)2	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(C[6]C[6]2H)(CN)(H)2	H(C[6]C[6]2C)	108.2590	0.000	1	108.2590	0.000	1	108.2590	0.000	1	107.7659	1.826	70	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HO)(C[6]C[6]H)(CHHO)(H)	C(C[6]C[6]2H)(OC)(H)2	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(C[6]C[6]2H)(OC)(H)2	H(C[6]C[6]2C)	108.3400	0.000	1	108.3400	0.000	1	107.5134	0.926	14	107.7659	1.826	70	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]Br)(CHHO)(H)	C(C[6]C[6]2H)(OC)(H)2	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(C[6]C[6]2H)(OC)(H)2	H(C[6]C[6]2C)	107.7885	0.269	2	107.7885	0.073	2	107.5134	0.926	14	107.7659	1.826	70	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CHHO)(H)	C(C[6]C[6]2H)(OH)(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(C[6]C[6]2H)(OH)(H)2	H(C[6]C[6]2C)	106.9830	0.293	2	106.9830	0.086	2	107.5134	0.926	14	107.7659	1.826	70	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2C)(C[6]C[6]H)(CHHO)(H)	C(C[6]C[6]2H)(OC)(H)2	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(C[6]C[6]2H)(OC)(H)2	H(C[6]C[6]2C)	106.3770	0.000	1	106.3770	0.000	1	107.5134	0.926	14	107.7659	1.826	70	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]N[6]O)(CHHO)(H)	C(C[6]C[6]2H)(OC)(H)2	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(C[6]C[6]2H)(OC)(H)2	H(C[6]C[6]2C)	107.0400	0.000	1	107.0400	0.000	1	107.5134	0.926	14	107.7659	1.826	70	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CHHO)(H)	C(C[6]C[6]2H)(OC)(H)2	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(C[6]C[6]2H)(OC)(H)2	H(C[6]C[6]2C)	106.3070	0.041	2	106.3070	0.002	2	107.5134	0.926	14	107.7659	1.826	70	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHHO)(H)	C(C[6]C[6]2H)(OC)(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(C[6]C[6]2H)(OC)(H)2	H(C[6]C[6]2C)	107.8110	0.000	1	107.8110	0.000	1	107.5134	0.926	14	107.7659	1.826	70	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)(H)	C(C[6]C[6]2H)(OH)(H)2	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(C[6]C[6]2H)(OH)(H)2	H(C[6]C[6]2C)	107.7210	0.000	1	108.3320	1.524	3	107.5134	0.926	14	107.7659	1.826	70	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)(H)	C(C[6]C[6]2H)(OH)(H)2	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(C[6]C[6]2H)(OH)(H)2	H(C[6]C[6]2C)	107.5220	0.000	1	108.3320	1.524	3	107.5134	0.926	14	107.7659	1.826	70	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)(H)	C(C[6]C[6]2H)(OH)(H)2	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(C[6]C[6]2H)(OH)(H)2	H(C[6]C[6]2C)	109.7530	0.000	1	108.3320	1.524	3	107.5134	0.926	14	107.7659	1.826	70	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]C[5a]H)(C[6]C[6]C)(CHHO)(H)	C(C[6]C[6]2H)(OH)(H)2	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(C[6]C[6]2H)(OH)(H)2	H(C[6]C[6]2C)	108.4670	0.000	1	108.4670	0.000	1	107.5134	0.926	14	107.7659	1.826	70	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:S-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]N[6]O)(CHHS)(H)	C(C[6]C[6]2H)(SC[6a])(H)2	H(C[6]C[6]2C)	C[6](C[6]N[6]CH)(C[6]N[6]O)(CHHS)(H){3|C<3>}	C(C[6]C[6]2H)(SC[6a])(H)2	H(C[6]C[6]2C)	106.9060	0.505	2	106.9060	0.255	2	106.9060	0.255	2	107.7659	1.826	70	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CN)(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(C[6]C[6]N[6]H)(CN)(H)2	H(C[6]C[6]N[6]C)	109.0390	0.000	1	109.0390	0.000	1	109.0390	0.000	1	107.7659	1.826	70	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(N[6]C[6]H)(CHHO)(H)	C(C[6]C[6]N[6]H)(OH)(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(C[6]C[6]N[6]H)(OH)(H)2	H(C[6]C[6]N[6]C)	108.1615	0.240	2	108.1615	0.057	2	107.9019	1.705	39	107.7659	1.826	70	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(N[6]C[6]H)(CHHO)(H)	C(C[6]C[6]N[6]H)(OH)(H)2	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(C[6]C[6]N[6]H)(OH)(H)2	H(C[6]C[6]N[6]C)	105.1235	0.919	2	105.1235	0.844	2	107.9019	1.705	39	107.7659	1.826	70	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]CH)(N[6]C[6]C)(CHHO)(H)	C(C[6]C[6]N[6]H)(OH)(H)2	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(C[6]C[6]N[6]H)(OH)(H)2	H(C[6]C[6]N[6]C)	107.5670	0.000	1	107.5670	0.000	1	107.9019	1.705	39	107.7659	1.826	70	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(N[6]C[6]H)(CHHO)(H)	C(C[6]C[6]N[6]H)(OC)(H)2	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(C[6]C[6]N[6]H)(OC)(H)2	H(C[6]C[6]N[6]C)	108.2870	0.000	1	108.2870	0.000	1	107.9019	1.705	39	107.7659	1.826	70	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]C)(CHHO)(H)	C(C[6]C[6]N[6]H)(OH)(H)2	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(C[6]C[6]N[6]H)(OH)(H)2	H(C[6]C[6]N[6]C)	108.4680	0.000	1	108.4680	0.000	1	107.9019	1.705	39	107.7659	1.826	70	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CHHO)(H)	C(C[6]C[6]N[6]H)(OC)(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(C[6]C[6]N[6]H)(OC)(H)2	H(C[6]C[6]N[6]C)	108.4855	1.008	2	108.4855	1.015	2	107.9019	1.705	39	107.7659	1.826	70	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CHHO)(H)	C(C[6]C[6]N[6]H)(OH)(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(C[6]C[6]N[6]H)(OH)(H)2	H(C[6]C[6]N[6]C)	109.5690	0.000	1	108.8068	0.192	5	107.9019	1.705	39	107.7659	1.826	70	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CHHO)(H)	C(C[6]C[6]N[6]H)(OH)(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(C[6]C[6]N[6]H)(OH)(H)2	H(C[6]C[6]N[6]C)	108.5700	0.157	2	108.8068	0.192	5	107.9019	1.705	39	107.7659	1.826	70	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CHHO)(H)	C(C[6]C[6]N[6]H)(OH)(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(C[6]C[6]N[6]H)(OH)(H)2	H(C[6]C[6]N[6]C)	108.6625	0.088	2	108.8068	0.192	5	107.9019	1.705	39	107.7659	1.826	70	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]H)(CHHO)(H)	C(C[6]C[6]N[6]H)(OH)(H)2	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(C[6]C[6]N[6]H)(OH)(H)2	H(C[6]C[6]N[6]C)	106.4050	0.000	1	106.9460	0.585	2	107.9019	1.705	39	107.7659	1.826	70	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]H)(CHHO)(H)	C(C[6]C[6]N[6]H)(OH)(H)2	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(C[6]C[6]N[6]H)(OH)(H)2	H(C[6]C[6]N[6]C)	107.4870	0.000	1	106.9460	0.585	2	107.9019	1.705	39	107.7659	1.826	70	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CHHO)(H)	C(C[6]C[6]N[6]H)(OH)(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(C[6]C[6]N[6]H)(OH)(H)2	H(C[6]C[6]N[6]C)	108.2270	0.141	2	108.2270	0.020	2	107.9019	1.705	39	107.7659	1.826	70	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CHHO)(H)	C(C[6]C[6]N[6]H)(OC)(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(C[6]C[6]N[6]H)(OC)(H)2	H(C[6]C[6]N[6]C)	108.3740	0.000	1	108.3740	0.000	1	107.9019	1.705	39	107.7659	1.826	70	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CHHO)(H)	C(C[6]C[6]N[6]H)(OS)(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(C[6]C[6]N[6]H)(OS)(H)2	H(C[6]C[6]N[6]C)	106.1535	0.032	2	106.8765	0.702	4	107.9019	1.705	39	107.7659	1.826	70	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CHHO)(H)	C(C[6]C[6]N[6]H)(OS)(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(C[6]C[6]N[6]H)(OS)(H)2	H(C[6]C[6]N[6]C)	107.6870	0.000	1	106.8765	0.702	4	107.9019	1.705	39	107.7659	1.826	70	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CHHO)(H)	C(C[6]C[6]N[6]H)(OS)(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(C[6]C[6]N[6]H)(OS)(H)2	H(C[6]C[6]N[6]C)	107.5120	0.000	1	106.8765	0.702	4	107.9019	1.705	39	107.7659	1.826	70	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(N[6]C[6]H)(CHHO)(H)	C(C[6]C[6]N[6]H)(OC)(H)2	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(C[6]C[6]N[6]H)(OC)(H)2	H(C[6]C[6]N[6]C)	107.1860	0.000	1	107.1860	0.000	1	107.9019	1.705	39	107.7659	1.826	70	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H)	C(C[6]C[6]N[6]H)(OC)(H)2	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(C[6]C[6]N[6]H)(OC)(H)2	H(C[6]C[6]N[6]C)	106.5240	0.000	1	106.5240	0.000	1	107.9019	1.705	39	107.7659	1.826	70	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H)	C(C[6]C[6]N[6]H)(OH)(H)2	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(C[6]C[6]N[6]H)(OH)(H)2	H(C[6]C[6]N[6]C)	108.8267	0.517	3	108.4615	0.712	4	107.9019	1.705	39	107.7659	1.826	70	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H)	C(C[6]C[6]N[6]H)(OH)(H)2	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(C[6]C[6]N[6]H)(OH)(H)2	H(C[6]C[6]N[6]C)	107.3660	0.000	1	108.4615	0.712	4	107.9019	1.705	39	107.7659	1.826	70	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H)	C(C[6]C[6]N[6]H)(OSi)(H)2	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(C[6]C[6]N[6]H)(OSi)(H)2	H(C[6]C[6]N[6]C)	109.1005	2.360	2	109.1005	5.568	2	107.9019	1.705	39	107.7659	1.826	70	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]H)(CHHO)(H)	C(C[6]C[6]N[6]H)(OC)(H)2	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(C[6]C[6]N[6]H)(OC)(H)2	H(C[6]C[6]N[6]C)	110.3680	0.000	1	110.3680	0.000	1	107.9019	1.705	39	107.7659	1.826	70	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]O)(CHHO)(H)	C(C[6]C[6]N[6]H)(OH)(H)2	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(C[6]C[6]N[6]H)(OH)(H)2	H(C[6]C[6]N[6]C)	108.8890	0.438	2	108.8890	0.192	2	107.9019	1.705	39	107.7659	1.826	70	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]S)(CHHO)(H)	C(C[6]C[6]N[6]H)(OC)(H)2	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(C[6]C[6]N[6]H)(OC)(H)2	H(C[6]C[6]N[6]C)	107.1570	0.000	1	107.1570	0.000	1	107.9019	1.705	39	107.7659	1.826	70	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]S[6]H)(CHHO)(H)	C(C[6]C[6]N[6]H)(OH)(H)2	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(C[6]C[6]N[6]H)(OH)(H)2	H(C[6]C[6]N[6]C)	108.5875	0.278	2	108.5875	0.077	2	107.9019	1.705	39	107.7659	1.826	70	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]CC)(N[6]C[6]S)(CHHO)(H)	C(C[6]C[6]N[6]H)(OH)(H)2	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(C[6]C[6]N[6]H)(OH)(H)2	H(C[6]C[6]N[6]C)	105.9080	0.000	2	105.9080	0.000	2	107.9019	1.705	39	107.7659	1.826	70	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:2:2:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-2:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(CCHO)(H)	C(C[6]C[5,6]C[6]H)(CC)(OC)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(CCHO)(H){1|O<1>,3|C<4>,6|H<1>}	C(C[6]C[5,6]C[6]H)(CC)(OC)(H)	H(C[6]C[5,6]C[6]C)	105.0740	0.000	1	105.0740	0.000	1	105.0740	0.000	1	105.9605	1.572	2	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:2:2:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHO)(H)	C(C[6]C[6]N[6]H)(CC)(OC)(H)	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(C[6]C[6]N[6]H)(CC)(OC)(H)	H(C[6]C[6]N[6]C)	106.8470	0.000	1	106.8470	0.000	1	106.8470	0.000	1	105.9605	1.572	2	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6,6a]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(CCHH)(H)	C(C[6]C[6,6a]C[5,6]H)(CC[6a]O)(H)2	H(C[6]C[6,6a]C[5,6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(CCHH)(H){1|O<1>,2|H<1>,2|N<3>,5|C<3>}	C(C[6]C[6,6a]C[5,6]H)(CC[6a]O)(H)2	H(C[6]C[6,6a]C[5,6]C)	107.5060	0.000	1	107.5060	0.000	1	107.3825	0.031	2	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6,6a]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(CCHH)(H)	C(C[6]C[6,6a]C[5,6]H)(CHO)(H)2	H(C[6]C[6,6a]C[5,6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(CCHH)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C(C[6]C[6,6a]C[5,6]H)(CHO)(H)2	H(C[6]C[6,6a]C[5,6]C)	107.2590	0.000	1	107.2590	0.000	1	107.3825	0.031	2	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CCH)(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]C)(CCHH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C(C[6]C[5,6]C[6]H)(CCH)(H)2	H(C[6]C[5,6]C[6]C)	105.4120	0.000	1	105.4120	0.000	1	106.8930	0.523	12	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CCH)(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]O)(CCHH)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C(C[6]C[5,6]C[6]H)(CCH)(H)2	H(C[6]C[5,6]C[6]C)	106.1300	0.000	1	106.4065	0.153	2	106.8930	0.523	12	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CCH)(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]O)(CCHH)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C(C[6]C[5,6]C[6]H)(CCH)(H)2	H(C[6]C[5,6]C[6]C)	106.6830	0.000	1	106.4065	0.153	2	106.8930	0.523	12	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]O[6]O)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CCH)(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]O)(CCHH)(H){1|C<3>,1|N<3>,1|S<4>,2|C<4>}	C(C[6]C[5,6]C[6]H)(CCH)(H)2	H(C[6]C[5,6]C[6]C)	106.7020	0.000	1	106.7020	0.000	1	106.8930	0.523	12	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CCO)(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]H)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C(C[6]C[5,6]C[6]H)(CCO)(H)2	H(C[6]C[5,6]C[6]C)	107.3980	0.000	1	107.3980	0.000	1	106.8930	0.523	12	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CHN)(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]H)(CCHH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C(C[6]C[5,6]C[6]H)(CHN)(H)2	H(C[6]C[5,6]C[6]C)	107.4640	0.000	1	107.4640	0.000	1	106.8930	0.523	12	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CHO)(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]H)(CCHH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C(C[6]C[5,6]C[6]H)(CHO)(H)2	H(C[6]C[5,6]C[6]C)	106.9660	0.000	1	106.9660	0.000	1	106.8930	0.523	12	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]O)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CCO)(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]O)(CCHH)(H){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]H)(CCO)(H)2	H(C[6]C[5,6]C[6]C)	107.1990	0.000	1	107.1990	0.000	1	106.8930	0.523	12	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]O)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CC[6a]O)(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]O)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C(C[6]C[5,6]C[6]H)(CC[6a]O)(H)2	H(C[6]C[5,6]C[6]C)	106.3070	0.000	1	106.3070	0.000	1	106.8930	0.523	12	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]S[5])(C[6]C[6]H)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CHO)(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]H)(CCHH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C(C[6]C[5,6]C[6]H)(CHO)(H)2	H(C[6]C[5,6]C[6]C)	106.7520	0.000	1	106.7520	0.000	1	106.8930	0.523	12	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CCH)(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]C)(CCHH)(H){1|C<3>,3|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]H)(CCH)(H)2	H(C[6]C[5,6]C[6]C)	107.8515	0.125	2	107.8515	0.016	2	106.8930	0.523	12	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]O)(CC[6a]HH)(H)	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(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]O)(CC[6a]HH)(H){1|H<1>,1|N<3>,1|O<1>,1|S<4>,3|C<3>}	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[5,6]C[6]C)	107.5540	0.000	1	107.5540	0.000	1	107.5540	0.000	1	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CHHN)(H)	C(C[6]C[5,6]C[6]H)(NC[6a]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]C)(CHHN)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C(C[6]C[5,6]C[6]H)(NC[6a]2)(H)2	H(C[6]C[5,6]C[6]C)	108.5340	0.000	1	108.5340	0.000	1	108.7740	0.047	3	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:N-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]H)(CHHN)(H)	C(C[6]C[5,6]C[6]H)(NOO)(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]H)(CHHN)(H){1|N<3>,1|O<1>,5|C<3>}	C(C[6]C[5,6]C[6]H)(NOO)(H)2	H(C[6]C[5,6]C[6]C)	108.9590	0.000	1	108.9590	0.000	1	108.7740	0.047	3	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CHHN)(H)	C(C[6]C[5,6]C[6]H)(NHS)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CHHN)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]H)(NHS)(H)2	H(C[6]C[5,6]C[6]C)	108.8290	0.000	1	108.8290	0.000	1	108.7740	0.047	3	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:N[5]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CN[5]HH)(H)	C(C[6]C[5,6]C[6]H)(N[5]C[5]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]H)(CN[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C(C[6]C[5,6]C[6]H)(N[5]C[5]2)(H)2	H(C[6]C[5,6]C[6]C)	106.8035	0.103	2	106.8035	0.011	2	106.8035	0.011	2	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(CCHH)(H)	C(C[6]C[5,6]N[6]H)(COO)(H)2	H(C[6]C[5,6]N[6]C)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(CCHH)(H){1|N<3>,3|C<3>,3|H<1>}	C(C[6]C[5,6]N[6]H)(COO)(H)2	H(C[6]C[5,6]N[6]C)	107.7010	0.000	1	107.7010	0.000	1	107.7010	0.000	1	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(CC[6a]HH)(H)	C(C[6]C[5,6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[5,6]N[6]C)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(CC[6a]HH)(H){1|N<3>,2|C<4>,5|H<1>}	C(C[6]C[5,6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[5,6]N[6]C)	107.8140	0.000	1	107.8140	0.000	1	107.8140	0.000	1	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:Cl-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CClCH)(H)	C(C[6]C[6,6]C[6]H)(CCH)(Cl)(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(C[6]C[6,6]C[6]H)(CCH)(Cl)(H)	H(C[6]C[6,6]C[6]C)	105.8930	0.000	1	105.8930	0.000	1	105.8930	0.000	1	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CCH)(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]C)(CCHH)(H){3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(CCH)(H)2	H(C[6]C[6,6]C[6]C)	105.7080	0.314	3	105.7080	0.099	3	106.7636	1.876	10	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CC[5]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]C)(CCHH)(H){3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(CC[5]H)(H)2	H(C[6]C[6,6]C[6]C)	106.0700	0.458	3	106.0700	0.210	3	106.7636	1.876	10	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CHO)(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]H)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(C[6]C[6,6]C[6]H)(CHO)(H)2	H(C[6]C[6,6]C[6]C)	107.3310	1.539	2	107.3310	2.367	2	106.7636	1.876	10	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(COO)(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]O)(CCHH)(H){3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(COO)(H)2	H(C[6]C[6,6]C[6]C)	108.8200	0.113	2	108.8200	0.013	2	106.7636	1.876	10	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(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]C)(CC[6a]HH)(H){1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6,6]C[6]C)	107.1540	0.000	1	106.8706	0.353	5	106.9968	0.378	6	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(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]C)(CC[6a]HH)(H){3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6,6]C[6]C)	106.7998	0.661	4	106.8706	0.353	5	106.9968	0.378	6	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CC[6a]HH)(H)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(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]O)(CC[6a]HH)(H){3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6,6]C[6]C)	107.6280	0.000	1	107.6280	0.000	1	106.9968	0.378	6	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N)(CHHN)(H)	C(C[6]C[6,6]C[6]H)(NHS)(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]N)(CHHN)(H){3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(NHS)(H)2	H(C[6]C[6,6]C[6]C)	106.3160	0.000	1	106.3160	0.000	1	106.3160	0.000	1	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6,6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6,6]N[6]H)(CCH)(H)2	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(C[6]C[6,6]N[6]H)(CCH)(H)2	H(C[6]C[6,6]N[6]C)	107.2630	0.000	1	107.2630	0.000	1	107.3190	0.021	3	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6,6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(CCHH)(H)	C(C[6]C[6,6]N[6]H)(COO)(H)2	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(C[6]C[6,6]N[6]H)(COO)(H)2	H(C[6]C[6,6]N[6]C)	107.3470	0.191	2	107.3470	0.036	2	107.3190	0.021	3	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:B[5]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CB[5]HH)(H)	C(C[6]C[6]2H)(B[5]O[5]2)(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(C[6]C[6]2H)(B[5]O[5]2)(H)2	H(C[6]C[6]2C)	107.3030	0.000	1	107.3030	0.000	1	107.3030	0.000	1	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]C[6]H)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CCH)(H)2	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(C[6]C[6]2H)(CCH)(H)2	H(C[6]C[6]2C)	107.7740	0.000	1	107.7740	0.000	1	107.5769	1.783	36	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6]2H)(CCH)(H)2	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(C[6]C[6]2H)(CCH)(H)2	H(C[6]C[6]2C)	107.1090	0.000	1	107.1090	0.000	1	107.5769	1.783	36	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCHH)(H)	C(C[6]C[6]2H)(CNO)(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(C[6]C[6]2H)(CNO)(H)2	H(C[6]C[6]2C)	107.2740	0.000	1	107.2740	0.000	1	107.5769	1.783	36	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[6,6]O)(CCHH)(H)	C(C[6]C[6]2H)(COO)(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(C[6]C[6]2H)(COO)(H)2	H(C[6]C[6]2C)	107.2520	0.000	1	107.2520	0.000	1	107.5769	1.783	36	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[6]O)(CCHH)(H)	C(C[6]C[6]2H)(COO)(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(C[6]C[6]2H)(COO)(H)2	H(C[6]C[6]2C)	107.0160	0.000	1	107.0160	0.000	1	107.5769	1.783	36	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CC[5]O)(H)2	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(C[6]C[6]2H)(CC[5]O)(H)2	H(C[6]C[6]2C)	110.4395	0.796	4	110.4395	0.634	4	107.5769	1.783	36	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CCH)(H)2	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(C[6]C[6]2H)(CCH)(H)2	H(C[6]C[6]2C)	106.6020	0.000	1	106.6020	0.000	1	107.5769	1.783	36	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CC[6a]O)(H)2	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(C[6]C[6]2H)(CC[6a]O)(H)2	H(C[6]C[6]2C)	107.2830	0.000	1	107.2830	0.000	1	107.5769	1.783	36	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(CCHH)(H)	C(C[6]C[6]2H)(CCC)(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(C[6]C[6]2H)(CCC)(H)2	H(C[6]C[6]2C)	106.0800	0.000	1	106.0800	0.000	1	107.5769	1.783	36	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CCH)(H)2	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(C[6]C[6]2H)(CCH)(H)2	H(C[6]C[6]2C)	106.5820	0.000	1	106.5820	0.000	1	107.5769	1.783	36	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CCH)(H)2	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(C[6]C[6]2H)(CCH)(H)2	H(C[6]C[6]2C)	106.6675	0.161	2	106.6675	0.026	2	107.5769	1.783	36	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CCH)(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(C[6]C[6]2H)(CCH)(H)2	H(C[6]C[6]2C)	106.9930	0.000	1	106.9930	0.000	1	107.5769	1.783	36	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]N)(CCHH)(H)	C(C[6]C[6]2H)(CCH)(H)2	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(C[6]C[6]2H)(CCH)(H)2	H(C[6]C[6]2C)	108.0440	0.000	1	108.0440	0.000	1	107.5769	1.783	36	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CCH)(H)2	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(C[6]C[6]2H)(CCH)(H)2	H(C[6]C[6]2C)	106.6370	0.000	1	106.6370	0.000	1	107.5769	1.783	36	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6]2H)(CCH)(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(C[6]C[6]2H)(CCH)(H)2	H(C[6]C[6]2C)	107.0020	0.000	1	107.0020	0.000	1	107.5769	1.783	36	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6]2H)(CC[6a]N)(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(C[6]C[6]2H)(CC[6a]N)(H)2	H(C[6]C[6]2C)	108.4910	0.000	2	108.4910	0.000	2	107.5769	1.783	36	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6]2H)(CC[6a]O)(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(C[6]C[6]2H)(CC[6a]O)(H)2	H(C[6]C[6]2C)	107.8210	0.000	1	107.8210	0.000	1	107.5769	1.783	36	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6]2H)(COO)(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(C[6]C[6]2H)(COO)(H)2	H(C[6]C[6]2C)	108.3320	0.000	1	108.3320	0.000	1	107.5769	1.783	36	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CC[6a]O)(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(C[6]C[6]2H)(CC[6a]O)(H)2	H(C[6]C[6]2C)	107.7180	0.000	1	106.6835	2.140	2	107.5769	1.783	36	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CC[6a]O)(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(C[6]C[6]2H)(CC[6a]O)(H)2	H(C[6]C[6]2C)	105.6490	0.000	1	106.6835	2.140	2	107.5769	1.783	36	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CNO)(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(C[6]C[6]2H)(CNO)(H)2	H(C[6]C[6]2C)	105.0620	0.000	1	105.0620	0.000	1	107.5769	1.783	36	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6]2H)(COO)(H)2	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(C[6]C[6]2H)(COO)(H)2	H(C[6]C[6]2C)	107.8650	0.000	1	107.8650	0.000	1	107.5769	1.783	36	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]SS)(C[6]C[6]H)(CCHH)(H)	C(C[6]C[6]2H)(COO)(H)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(C[6]C[6]2H)(COO)(H)2	H(C[6]C[6]2C)	106.1350	0.000	1	106.1350	0.000	1	107.5769	1.783	36	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(CCHH)(H)	C(C[6]C[6]2H)(CCH)(H)2	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(C[6]C[6]2H)(CCH)(H)2	H(C[6]C[6]2C)	107.9830	0.000	1	107.9830	0.000	1	107.5769	1.783	36	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6,6]O)(CCHH)(H)	C(C[6]C[6]2H)(COO)(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(C[6]C[6]2H)(COO)(H)2	H(C[6]C[6]2C)	107.5830	0.000	1	107.5830	0.000	1	107.5769	1.783	36	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6]2H)(CCO)(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(C[6]C[6]2H)(CCO)(H)2	H(C[6]C[6]2C)	107.8200	0.076	3	107.8200	0.006	3	107.5769	1.783	36	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6]2H)(CC[3]O)(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(C[6]C[6]2H)(CC[3]O)(H)2	H(C[6]C[6]2C)	108.2590	0.000	1	108.2590	0.000	1	107.5769	1.783	36	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]CC)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6]2H)(CCH)(H)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(C[6]C[6]2H)(CCH)(H)2	H(C[6]C[6]2C)	105.6000	0.000	1	105.6000	0.000	1	107.5769	1.783	36	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]CS)(C[6]C[6]H)(CCHH)(H)	C(C[6]C[6]2H)(CHO)(H)2	H(C[6]C[6]2C)	C[6](C[6]S[6]CS)(C[6]C[6]H)(CCHH)(H){2|C<4>}	C(C[6]C[6]2H)(CHO)(H)2	H(C[6]C[6]2C)	107.5800	0.000	1	107.5800	0.000	1	107.5769	1.783	36	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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[5,6]CH)(C[6]C[6]O)(CC[6]HH)(H)	C(C[6]C[6]2H)(C[6]C[6]2)(H)2	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(C[6]C[6]2H)(C[6]C[6]2)(H)2	H(C[6]C[6]2C)	105.8990	0.000	1	105.8990	0.000	1	105.8990	0.000	1	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(C[6]C[6]F)(CHHN)(H)	C(C[6]C[6]2H)(NCC)(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(C[6]C[6]2H)(NCC)(H)2	H(C[6]C[6]2C)	106.7880	0.000	1	106.7880	0.000	1	106.7880	0.000	1	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:N[5]-3:H-1: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(C[6]C[6]2H)(N[5]C[5]2)(H)2	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(C[6]C[6]2H)(N[5]C[5]2)(H)2	H(C[6]C[6]2C)	108.5250	0.000	1	108.5250	0.000	1	108.5250	0.000	1	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CC)(N[6]C[6]S)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCO)(H)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(C[6]C[6]N[6]H)(CCO)(H)2	H(C[6]C[6]N[6]C)	108.1880	0.000	1	108.1880	0.000	1	107.9169	1.333	30	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]O)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCH)(H)2	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(C[6]C[6]N[6]H)(CCH)(H)2	H(C[6]C[6]N[6]C)	108.1350	0.000	1	108.1350	0.000	1	107.9169	1.333	30	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCO)(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(C[6]C[6]N[6]H)(CCO)(H)2	H(C[6]C[6]N[6]C)	107.5630	0.000	1	107.5630	0.000	1	107.9169	1.333	30	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CC[6a]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){2|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(CC[6a]O)(H)2	H(C[6]C[6]N[6]C)	106.8560	0.000	1	106.8560	0.000	1	107.9169	1.333	30	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CNO)(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(C[6]C[6]N[6]H)(CNO)(H)2	H(C[6]C[6]N[6]C)	105.9200	0.000	1	105.9200	0.000	1	107.9169	1.333	30	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H)	C(C[6]C[6]N[6]H)(CC[6a]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){2|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(CC[6a]O)(H)2	H(C[6]C[6]N[6]C)	109.2850	0.065	2	109.2850	0.004	2	107.9169	1.333	30	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H)	C(C[6]C[6]N[6]H)(COO)(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(C[6]C[6]N[6]H)(COO)(H)2	H(C[6]C[6]N[6]C)	108.3200	0.000	1	108.3200	0.000	1	107.9169	1.333	30	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCH)(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(C[6]C[6]N[6]H)(CCH)(H)2	H(C[6]C[6]N[6]C)	107.1060	0.000	1	107.1060	0.000	1	107.9169	1.333	30	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCO)(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(C[6]C[6]N[6]H)(CCO)(H)2	H(C[6]C[6]N[6]C)	107.8300	0.426	2	107.8300	0.181	2	107.9169	1.333	30	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H)	C(C[6]C[6]N[6]H)(CHH)(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(C[6]C[6]N[6]H)(CHH)(H)2	H(C[6]C[6]N[6]C)	103.8580	0.000	1	103.8580	0.000	1	107.9169	1.333	30	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCH)(H)2	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(C[6]C[6]N[6]H)(CCH)(H)2	H(C[6]C[6]N[6]C)	107.2590	0.000	1	107.2590	0.000	1	107.9169	1.333	30	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(COO)(H)2	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(C[6]C[6]N[6]H)(COO)(H)2	H(C[6]C[6]N[6]C)	106.9980	0.000	1	106.9980	0.000	1	107.9169	1.333	30	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCH)(H)2	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(C[6]C[6]N[6]H)(CCH)(H)2	H(C[6]C[6]N[6]C)	108.8910	0.000	1	108.8910	0.000	1	107.9169	1.333	30	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCO)(H)2	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(C[6]C[6]N[6]H)(CCO)(H)2	H(C[6]C[6]N[6]C)	108.8800	0.000	1	108.8800	0.000	1	107.9169	1.333	30	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]O)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCH)(H)2	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(C[6]C[6]N[6]H)(CCH)(H)2	H(C[6]C[6]N[6]C)	107.8630	0.000	1	107.8630	0.000	1	107.9169	1.333	30	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]N[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(COO)(H)2	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(C[6]C[6]N[6]H)(COO)(H)2	H(C[6]C[6]N[6]C)	108.8230	0.000	1	108.8230	0.000	1	107.9169	1.333	30	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HW)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(COO)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HW)(N[6]C[6]C)(CCHH)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6]H)(COO)(H)2	H(C[6]C[6]N[6]C)	108.0150	0.622	3	108.0150	0.387	3	107.9169	1.333	30	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]MoH)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]MoH)(N[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6]H)(CCH)(H)2	H(C[6]C[6]N[6]C)	107.9410	0.000	1	107.9410	0.000	1	107.9169	1.333	30	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]MoH)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(COO)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]MoH)(N[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6]H)(COO)(H)2	H(C[6]C[6]N[6]C)	108.3180	0.045	2	108.3180	0.002	2	107.9169	1.333	30	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(N[6]C[6,6a]S)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCH)(H)2	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(C[6]C[6]N[6]H)(CCH)(H)2	H(C[6]C[6]N[6]C)	107.1140	0.000	1	107.1140	0.000	1	107.9169	1.333	30	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]S)(CCHH)(H)	C(C[6]C[6]N[6]H)(COO)(H)2	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(C[6]C[6]N[6]H)(COO)(H)2	H(C[6]C[6]N[6]C)	108.9540	0.000	1	108.1743	1.074	3	107.9169	1.333	30	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]S)(CCHH)(H)	C(C[6]C[6]N[6]H)(COO)(H)2	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(C[6]C[6]N[6]H)(COO)(H)2	H(C[6]C[6]N[6]C)	108.5710	0.000	1	108.1743	1.074	3	107.9169	1.333	30	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]S)(CCHH)(H)	C(C[6]C[6]N[6]H)(COO)(H)2	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(C[6]C[6]N[6]H)(COO)(H)2	H(C[6]C[6]N[6]C)	106.9980	0.000	1	108.1743	1.074	3	107.9169	1.333	30	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(COO)(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(C[6]C[6]N[6]H)(COO)(H)2	H(C[6]C[6]N[6]C)	108.5520	0.000	1	108.5520	0.000	1	107.9169	1.333	30	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(CCHH)(H)	C(C[6]C[6]N[6]H)(COO)(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(C[6]C[6]N[6]H)(COO)(H)2	H(C[6]C[6]N[6]C)	109.8060	0.000	1	109.8060	0.000	1	107.9169	1.333	30	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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(C[6]C[6]N[6]H)(C[6]C[6]2)(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(C[6]C[6]N[6]H)(C[6]C[6]2)(H)2	H(C[6]C[6]N[6]C)	108.6230	0.000	1	108.6230	0.000	1	108.2347	0.282	4	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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]N[6]HH)(N[6]C[6]C)(CC[6]HH)(H)	C(C[6]C[6]N[6]H)(C[6]C[6]2)(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(C[6]C[6]N[6]H)(C[6]C[6]2)(H)2	H(C[6]C[6]N[6]C)	107.4780	0.000	1	108.0305	0.611	2	108.2347	0.282	4	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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]N[6]HH)(N[6]C[6]C)(CC[6]HH)(H)	C(C[6]C[6]N[6]H)(C[6]C[6]2)(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(C[6]C[6]N[6]H)(C[6]C[6]2)(H)2	H(C[6]C[6]N[6]C)	108.5830	0.000	1	108.0305	0.611	2	108.2347	0.282	4	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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]N[6]HH)(N[6]C[6]H)(CC[6]HH)(H)	C(C[6]C[6]N[6]H)(C[6]C[6]2)(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(C[6]C[6]N[6]H)(C[6]C[6]2)(H)2	H(C[6]C[6]N[6]C)	108.2550	0.000	1	108.2550	0.000	1	108.2347	0.282	4	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3: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(C[6]C[6]N[6]H)(C[6a]C[6a]2)(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(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	107.4970	0.000	1	107.4970	0.000	1	107.7124	1.988	24	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	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(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	107.2590	0.000	1	107.2590	0.000	1	107.7124	1.988	24	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-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(C[6]C[6]N[6]H)(C[6a]C[6a]2)(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(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	108.4200	0.000	1	108.1215	0.042	4	107.7124	1.988	24	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-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(C[6]C[6]N[6]H)(C[6a]C[6a]2)(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(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	108.0220	0.063	3	108.1215	0.042	4	107.7124	1.988	24	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-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(C[6]C[6]N[6]H)(C[6a]C[6a]2)(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(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	107.1910	0.000	1	107.4742	0.102	4	107.7124	1.988	24	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-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(C[6]C[6]N[6]H)(C[6a]C[6a]2)(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(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	107.2780	0.000	1	107.4742	0.102	4	107.7124	1.988	24	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-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(C[6]C[6]N[6]H)(C[6a]C[6a]2)(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(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	107.5230	0.000	1	107.4742	0.102	4	107.7124	1.988	24	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-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(C[6]C[6]N[6]H)(C[6a]C[6a]2)(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(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	107.9050	0.000	1	107.4742	0.102	4	107.7124	1.988	24	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]N[6]S)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(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(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	108.2730	0.000	1	108.2730	0.000	1	107.7124	1.988	24	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1: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(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	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(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	107.3660	0.000	1	107.3660	0.000	1	107.7124	1.988	24	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	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(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	107.8250	0.000	1	107.8250	0.000	1	107.7124	1.988	24	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-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(C[6]C[6]N[6]H)(C[6a]C[6a]2)(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(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	107.6950	0.000	1	106.7235	4.030	6	107.7124	1.988	24	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-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(C[6]C[6]N[6]H)(C[6a]C[6a]2)(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(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	108.0987	0.440	3	106.7235	4.030	6	107.7124	1.988	24	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-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(C[6]C[6]N[6]H)(C[6a]C[6a]2)(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(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	103.8970	0.000	1	106.7235	4.030	6	107.7124	1.988	24	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-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(C[6]C[6]N[6]H)(C[6a]C[6a]2)(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(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	104.4530	0.000	1	106.7235	4.030	6	107.7124	1.988	24	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(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(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	108.2800	0.000	1	108.2800	0.000	1	107.7124	1.988	24	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]S)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(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(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	110.2275	2.149	2	110.2275	4.618	2	107.7124	1.988	24	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]N[6]C)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(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(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	107.7090	0.315	2	107.7090	0.099	2	107.7124	1.988	24	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:S[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(S[6]N[6]O)(CCHH)(H)	C(C[6]C[6]S[6]H)(CCH)(H)2	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(C[6]C[6]S[6]H)(CCH)(H)2	H(C[6]C[6]S[6]C)	107.2140	0.000	1	107.2140	0.000	1	107.2140	0.000	1	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:S[6]-3:C-4:H-1:	C[6]-4:S-3:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(S[6]C[6]Cu)(CHHS)(H)	C(C[6]C[6]S[6]H)(SCuC)(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(C[6]C[6]S[6]H)(SCuC)(H)2	H(C[6]C[6]S[6]C)	105.0870	0.000	1	105.0870	0.000	1	105.0870	0.000	1	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	N[6]-4:C[6]-3:C-4:H-1:	C[6]-4:S-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]NiC)(C[6]N[6]H)(CHHS)(H)	C(C[6]C[6]N[6]H)(SNi2)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6]NiC)(C[6]N[6]H)(CHHS)(H){2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(SNi2)(H)2	H(C[6]C[6]N[6]C)	109.1120	0.000	1	109.1120	0.000	1	109.1120	0.000	1	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:1:1:	4:	S[6]-4:C[6]-3:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6]-4:	C[6](S[6]C[6]OO)(C[6]O[6]O)(CHHN)(H)	C(C[6]C[6]S[6]H)(NCC)(H)2	H(C[6]C[6]S[6]C)	C[6](S[6]C[6]OO)(C[6]O[6]O)(CHHN)(H){1|C<4>,2|H<1>}	C(C[6]C[6]S[6]H)(NCC)(H)2	H(C[6]C[6]S[6]C)	107.2490	0.000	1	107.2490	0.000	1	107.2490	0.000	1	107.5155	1.494	145	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:O-2:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(CC[6a]HO)(H)	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]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]O)(CC[6a]HO)(H){3|C<4>,4|H<1>}	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(OH)(H)	H(C[6]C[5,6]C[6]C)	108.0994	0.337	5	108.0994	0.114	5	108.0994	0.114	5	107.2573	1.316	19	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:2:1:	4:	C[5,6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-3:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(CCHO)(H)	C(C[6]C[5,6]N[6]H)(COO)(OH)(H)	H(C[6]C[5,6]N[6]C)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(CCHO)(H){1|O<2>,2|C<4>,3|H<1>}	C(C[6]C[5,6]N[6]H)(COO)(OH)(H)	H(C[6]C[5,6]N[6]C)	105.8180	0.000	1	105.8180	0.000	1	105.8180	0.000	1	107.2573	1.316	19	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CCHO)(H)	C(C[6]C[6,6]C[6]H)(CCH)(OC)(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(C[6]C[6,6]C[6]H)(CCH)(OC)(H)	H(C[6]C[6,6]C[6]C)	106.1340	0.000	1	106.1340	0.000	1	106.1340	0.000	1	107.2573	1.316	19	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:O-2: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(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(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]O)(CC[6a]HO)(H){1|C<3>,1|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(OC)(H)	H(C[6]C[6,6]C[6]C)	108.6930	0.000	1	108.6930	0.000	1	107.7303	2.547	3	107.2573	1.316	19	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:O-2: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(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(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]O)(CC[6a]HO)(H){2|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(OH)(H)	H(C[6]C[6,6]C[6]C)	105.8880	0.000	1	105.8880	0.000	1	107.7303	2.547	3	107.2573	1.316	19	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:O-2: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(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(OH)(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(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(OH)(H)	H(C[6]C[6,6]C[6]C)	108.6100	0.000	1	108.6100	0.000	1	107.7303	2.547	3	107.2573	1.316	19	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:2:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHO)(H)	C(C[6]C[6]2H)(CCC)(OSi)(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(C[6]C[6]2H)(CCC)(OSi)(H)	H(C[6]C[6]2C)	106.8920	1.399	2	106.8920	1.956	2	106.8118	0.894	4	107.2573	1.316	19	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:2:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHO)(H)	C(C[6]C[6]2H)(CC[6]O)(OC)(H)	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(C[6]C[6]2H)(CC[6]O)(OC)(H)	H(C[6]C[6]2C)	106.1400	0.000	1	106.1400	0.000	1	106.8118	0.894	4	107.2573	1.316	19	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:2:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(H)	C(C[6]C[6]2H)(CC[6a]O)(OH)(H)	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(C[6]C[6]2H)(CC[6a]O)(OH)(H)	H(C[6]C[6]2C)	107.3230	0.000	1	107.3230	0.000	1	106.8118	0.894	4	107.2573	1.316	19	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:2:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:N-2:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(CC[6a]HN)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(NC)(H)	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(C[6]C[6]N[6]H)(C[6a]C[6a]2)(NC)(H)	H(C[6]C[6]N[6]C)	108.4940	0.000	1	108.4940	0.000	1	108.4940	0.000	1	107.2573	1.316	19	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:2:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HO)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(OH)(H)	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(C[6]C[6]N[6]H)(C[6a]C[6a]2)(OH)(H)	H(C[6]C[6]N[6]C)	106.7080	0.000	1	106.7080	0.000	1	106.6270	1.329	4	107.2573	1.316	19	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:2:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC[6a]HO)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(OH)(H)	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(C[6]C[6]N[6]H)(C[6a]C[6a]2)(OH)(H)	H(C[6]C[6]N[6]C)	106.6000	1.411	3	106.6000	1.990	3	106.6270	1.329	4	107.2573	1.316	19	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(CCCH)(H)	C(C[6]C[6]2H)(COO)2(H)	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(C[6]C[6]2H)(COO)2(H)	H(C[6]C[6]2C)	106.3490	0.000	1	106.3490	0.000	1	107.5880	3.070	2	107.6252	1.302	4	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCH)(H)	C(C[6]C[6]2H)(CHH)(COO)(H)	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(C[6]C[6]2H)(CHH)(COO)(H)	H(C[6]C[6]2C)	108.8270	0.000	1	108.8270	0.000	1	107.5880	3.070	2	107.6252	1.302	4	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:N-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHN)(H)	C(C[6]C[6]2H)(NC[6a]H)(COO)(H)	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(C[6]C[6]2H)(NC[6a]H)(COO)(H)	H(C[6]C[6]2C)	107.0180	0.000	1	107.0180	0.000	1	107.0180	0.000	1	107.6252	1.302	4	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:3:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(N[6]C[6]H)(CC[6a]CH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CNO)(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(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CNO)(H)	H(C[6]C[6]N[6]C)	108.3070	0.000	1	108.3070	0.000	1	108.3070	0.000	1	107.6252	1.302	4	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:3:2:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:C-3:O-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCO)(H)	C(C[6]C[6]2H)(CCH)(COO)(OH)	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(C[6]C[6]2H)(CCH)(COO)(OH)	H(C[6]C[6]2C)	106.6135	0.057	2	106.6135	0.003	2	106.9533	0.348	3	106.9870	0.535	11	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:3:2:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:C-3:O-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCO)(H)	C(C[6]C[6]2H)(CC[6a]O)(COO)(OH)	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(C[6]C[6]2H)(CC[6a]O)(COO)(OH)	H(C[6]C[6]2C)	107.6330	0.000	1	107.6330	0.000	1	106.9533	0.348	3	106.9870	0.535	11	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:3:2:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CC[6a]2O)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OSi)	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(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OSi)	H(C[6]C[6]N[6]C)	106.2150	0.018	2	106.2150	0.000	2	106.9996	0.665	8	106.9870	0.535	11	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:3:2:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CC[6a]2O)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OC)	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(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OC)	H(C[6]C[6]N[6]C)	107.7150	0.000	1	107.7150	0.000	1	106.9996	0.665	8	106.9870	0.535	11	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:3:2:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(CC[6a]2O)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OH)	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(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OH)	H(C[6]C[6]N[6]C)	107.5770	0.236	2	107.5770	0.056	2	106.9996	0.665	8	106.9870	0.535	11	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:3:2:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(CC[6a]2O)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OSi)	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(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OSi)	H(C[6]C[6]N[6]C)	105.7790	0.000	1	105.7790	0.000	1	106.9996	0.665	8	106.9870	0.535	11	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:3:2:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C[6]-4:	C[6](C[6]C[6]FH)(N[6]C[6]C)(CC[6a]2O)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OH)	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(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OH)	H(C[6]C[6]N[6]C)	107.0900	0.000	1	107.0900	0.000	1	106.9996	0.665	8	106.9870	0.535	11	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:3:2:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]2O)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OH)	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(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OH)	H(C[6]C[6]N[6]C)	107.8290	0.000	1	107.8290	0.000	1	106.9996	0.665	8	106.9870	0.535	11	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCCH)(H)	C(C[6]C[6]2H)(CN[5]O)(CCHH)(H)	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(C[6]C[6]2H)(CN[5]O)(CCHH)(H)	H(C[6]C[6]2C)	105.2450	0.000	1	105.2450	0.000	1	105.3895	0.042	2	104.9890	0.502	3	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CCCH)(H)	C(C[6]C[6]2H)(CC[6a]O)(CH3)(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(C[6]C[6]2H)(CC[6a]O)(CH3)(H)	H(C[6]C[6]2C)	105.5340	0.000	1	105.5340	0.000	1	105.3895	0.042	2	104.9890	0.502	3	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]CO)(H)	C(C[6]C[6]2H)(C[6]C[6]2)(CC[6a]HO)(O)	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(C[6]C[6]2H)(C[6]C[6]2)(CC[6a]HO)(O)	H(C[6]C[6]2C)	104.1880	0.000	1	104.1880	0.000	1	104.1880	0.000	1	104.9890	0.502	3	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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]HH)(C[6]C[6]H)(CC[6]CO)(H)	C(C[6]C[6]2H)(C[6]C[6]2)(CH3)(OC)	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(C[6]C[6]2H)(C[6]C[6]2)(CH3)(OC)	H(C[6]C[6]2C)	103.2770	0.000	1	103.2770	0.000	1	103.2770	0.000	1	103.2770	0.000	1	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[3x6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[6,6]2O[6])(N[6]C[6]C)(CCHH)(H)	C(C[6]C[3x6]N[6]H)(CC[6]HH)(H)2	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(C[6]C[3x6]N[6]H)(CC[6]HH)(H)2	H(C[6]C[3x6]N[6]C)	107.3473	1.405	3	107.3473	1.973	3	107.3473	1.973	3	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6,6]C[5,6,6]N[5,6]O[5,5])(N[6]C[6,6a]H)(CCHH)(H)	C(C[6]C[5,5,6,6]N[6]H)(CCHH)(H)2	H(C[6]C[5,5,6,6]N[6]C)	C[6](C[5,5,6,6]C[5,6,6]N[5,6]O[5,5])(N[6]C[6,6a]H)(CCHH)(H){1|H<1>,2|C<4>,3|C<3>}	C(C[6]C[5,5,6,6]N[6]H)(CCHH)(H)2	H(C[6]C[5,5,6,6]N[6]C)	108.5110	0.000	1	108.5110	0.000	1	108.5110	0.000	1	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(CCHH)(H)	C(C[6]C[5,6]C[6,6]H)(CHHO)(H)2	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])(CCHH)(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	C(C[6]C[5,6]C[6,6]H)(CHHO)(H)2	H(C[6]C[5,6]C[6,6]C)	106.2350	0.000	1	106.2350	0.000	1	106.2350	0.000	1	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-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]O)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CCHH)(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[6,6]O)(CCHH)(H){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	H(C[6]C[5,6]C[6]C)	102.2200	0.000	1	102.4340	0.035	3	106.0963	3.478	17	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-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]O)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CCHH)(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[6,6]O)(CCHH)(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	H(C[6]C[5,6]C[6]C)	102.5410	0.042	2	102.4340	0.035	3	106.0963	3.478	17	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CC[6a]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[6,6]C)(CCHH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C(C[6]C[5,6]C[6]H)(CC[6a]HH)(H)2	H(C[6]C[5,6]C[6]C)	106.4345	0.508	2	106.4345	0.258	2	106.0963	3.478	17	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CCHH)(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]H)(CCHH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	H(C[6]C[5,6]C[6]C)	106.1110	0.256	2	106.1110	0.066	2	106.0963	3.478	17	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CCHO)(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]C)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(C[6]C[5,6]C[6]H)(CCHO)(H)2	H(C[6]C[5,6]C[6]C)	106.1490	0.000	1	106.1490	0.000	1	106.0963	3.478	17	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CCHH)(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]H)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	H(C[6]C[5,6]C[6]C)	106.4900	0.000	1	106.4900	0.000	1	106.0963	3.478	17	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]N)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CCHH)(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]N)(CCHH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	H(C[6]C[5,6]C[6]C)	107.9850	0.000	1	107.9850	0.000	1	106.0963	3.478	17	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]N[6])(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CCHH)(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[6a]N[6])(CCHH)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	H(C[6]C[5,6]C[6]C)	107.6830	0.049	2	107.6830	0.002	2	106.0963	3.478	17	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6,6]O)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CH3)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6,6]O)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(C[6]C[5,6]C[6]H)(CH3)(H)2	H(C[6]C[5,6]C[6]C)	107.0690	0.000	1	107.0690	0.000	1	106.0963	3.478	17	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CCHH)(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]H)(CCHH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	H(C[6]C[5,6]C[6]C)	107.2330	0.721	2	107.2330	0.520	2	106.0963	3.478	17	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]O[5]H)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CH3)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]N[5,6]O[5]H)(C[6]C[6]C)(CCHH)(H){1|H<1>,3|C<4>}	C(C[6]C[5,6]C[6]H)(CH3)(H)2	H(C[6]C[5,6]C[6]C)	107.4960	0.000	1	107.4960	0.000	1	106.0963	3.478	17	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	H(C[6]C[5,6]C[6]C)	106.2230	0.000	1	106.2230	0.000	1	106.0963	3.478	17	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]2)(CC[6]HH)(H)	C(C[6]C[5,6]C[6]H)(C[6]C[6,6]O[6]H)(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]2)(CC[6]HH)(H){2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]H)(C[6]C[6,6]O[6]H)(H)2	H(C[6]C[5,6]C[6]C)	106.4000	0.000	1	106.4000	0.000	1	106.4000	0.000	1	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:S-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CHHS)(H)	C(C[6]C[5,6]C[6]H)(SC[6a]OO)(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]O)(CHHS)(H){4|C<4>,4|H<1>}	C(C[6]C[5,6]C[6]H)(SC[6a]OO)(H)2	H(C[6]C[5,6]C[6]C)	111.7860	0.000	1	111.7860	0.000	1	111.7860	0.000	1	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:N[6,6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(CCHH)(H)	C(C[6]C[5,6]N[6,6]H)(CCHH)(H)2	H(C[6]C[5,6]N[6,6]C)	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(CCHH)(H){4|C<4>,7|H<1>}	C(C[6]C[5,6]N[6,6]H)(CCHH)(H)2	H(C[6]C[5,6]N[6,6]C)	108.1790	0.000	1	108.1790	0.000	1	108.1790	0.000	1	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Fe)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[5,6]N[6]H)(CC[5]CH)(H)2	H(C[6]C[5,6]N[6]C)	C[6](C[5,6]C[5,6]C[5]Fe)(N[6]C[6]C)(CCHH)(H){1|N<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]N[6]H)(CC[5]CH)(H)2	H(C[6]C[5,6]N[6]C)	107.6600	0.000	1	107.7215	0.008	2	107.7215	0.008	2	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Fe)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[5,6]N[6]H)(CC[5]CH)(H)2	H(C[6]C[5,6]N[6]C)	C[6](C[5,6]C[5,6]C[5]Fe)(N[6]C[6]C)(CCHH)(H){1|P<4>,2|C<4>,3|H<1>}	C(C[6]C[5,6]N[6]H)(CC[5]CH)(H)2	H(C[6]C[5,6]N[6]C)	107.7830	0.000	1	107.7215	0.008	2	107.7215	0.008	2	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1: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(C[6]C[6,6]C[6]H)(CHHO)(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]H)(CCHH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C(C[6]C[6,6]C[6]H)(CHHO)(H)2	H(C[6]C[6,6]C[6]C)	107.0100	0.000	1	107.0100	0.000	1	106.3826	1.312	33	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1: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(C[6]C[6,6]C[6]H)(CH3)(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]N[6]O)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>,2|S<2>}	C(C[6]C[6,6]C[6]H)(CH3)(H)2	H(C[6]C[6,6]C[6]C)	106.1160	0.000	1	106.1160	0.000	1	106.3826	1.312	33	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CCHH)(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]C)(CCHH)(H){1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	H(C[6]C[6,6]C[6]C)	105.8255	0.163	2	105.6994	1.593	8	106.3826	1.312	33	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CCHH)(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]C)(CCHH)(H){3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	H(C[6]C[6,6]C[6]C)	106.4903	0.492	3	105.6994	1.593	8	106.3826	1.312	33	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CCHH)(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]C)(CCHH)(H){3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	H(C[6]C[6,6]C[6]C)	104.8243	1.794	3	105.6994	1.593	8	106.3826	1.312	33	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CCHO)(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]C)(CCHH)(H){3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(CCHO)(H)2	H(C[6]C[6,6]C[6]C)	105.0500	0.000	1	105.6055	0.617	2	106.3826	1.312	33	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CCHO)(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]C)(CCHH)(H){3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(CCHO)(H)2	H(C[6]C[6,6]C[6]C)	106.1610	0.000	1	105.6055	0.617	2	106.3826	1.312	33	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CC[5]2H)(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]C)(CCHH)(H){3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(CC[5]2H)(H)2	H(C[6]C[6,6]C[6]C)	106.2000	0.454	5	106.2000	0.206	5	106.3826	1.312	33	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CC[5]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]C)(CCHH)(H){3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(CC[5]CH)(H)2	H(C[6]C[6,6]C[6]C)	105.9030	0.000	1	105.9030	0.000	1	106.3826	1.312	33	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CC[5]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]C)(CCHH)(H){3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(CC[5]HH)(H)2	H(C[6]C[6,6]C[6]C)	105.8350	0.000	1	105.8350	0.000	1	106.3826	1.312	33	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CC[5a]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]C)(CCHH)(H){3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(CC[5a]HH)(H)2	H(C[6]C[6,6]C[6]C)	105.7120	0.000	1	105.7120	0.000	1	106.3826	1.312	33	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CC[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]C)(CCHH)(H){1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C(C[6]C[6,6]C[6]H)(CC[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	106.0870	0.000	1	106.2410	0.047	2	106.3826	1.312	33	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CC[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]C)(CCHH)(H){3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(CC[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	106.3950	0.000	1	106.2410	0.047	2	106.3826	1.312	33	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CC[6a]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]C)(CCHH)(H){3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(CC[6a]HH)(H)2	H(C[6]C[6,6]C[6]C)	105.9720	0.000	1	105.9245	0.005	2	106.3826	1.312	33	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CC[6a]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]C)(CCHH)(H){3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(CC[6a]HH)(H)2	H(C[6]C[6,6]C[6]C)	105.8770	0.000	1	105.9245	0.005	2	106.3826	1.312	33	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1: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(C[6]C[6,6]C[6]H)(CHHO)(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]H)(CCHH)(H){1|C<3>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(CHHO)(H)2	H(C[6]C[6,6]C[6]C)	108.1090	0.000	1	108.1090	0.000	1	106.3826	1.312	33	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1: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(C[6]C[6,6]C[6]H)(CCHH)(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]H)(CCHH)(H){1|O<1>,2|C<3>,3|C<4>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	H(C[6]C[6,6]C[6]C)	105.9980	0.000	1	105.9980	0.000	1	106.3826	1.312	33	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CCHH)(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]H)(CCHH)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	H(C[6]C[6,6]C[6]C)	107.9570	0.252	4	107.7888	1.374	6	106.3826	1.312	33	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CCHH)(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]H)(CCHH)(H){1|N<4>,1|O<1>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	H(C[6]C[6,6]C[6]C)	107.4525	2.518	2	107.7888	1.374	6	106.3826	1.312	33	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1: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(C[6]C[6,6]C[6]H)(CCHH)(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]O)(CCHH)(H){1|C<4>,1|S<2>,3|C<3>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	H(C[6]C[6,6]C[6]C)	107.0720	0.000	1	107.0720	0.000	1	106.3826	1.312	33	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CC[6]HH)(H)	C(C[6]C[6,6]C[6]H)(C[6]C[6]2H)(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]C)(CC[6]HH)(H){3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(C[6]C[6]2H)(H)2	H(C[6]C[6,6]C[6]C)	106.6420	0.000	1	106.6420	0.000	1	106.6420	0.000	1	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(CCHH)(H)	C(C[6]C[6,6]N[6]H)(CCCH)(H)2	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(C[6]C[6,6]N[6]H)(CCCH)(H)2	H(C[6]C[6,6]N[6]C)	107.7110	0.000	1	107.7110	0.000	1	107.9300	0.096	2	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]3)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6,6]N[6]H)(CCHH)(H)2	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(C[6]C[6,6]N[6]H)(CCHH)(H)2	H(C[6]C[6,6]N[6]C)	108.1490	0.000	1	108.1490	0.000	1	107.9300	0.096	2	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)(H)	C(CC[5a]C[6a]H)(C[6]C[6]2H)(H)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|N<3>,3|H<1>}	C(CC[5a]C[6a]H)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	107.2790	0.000	1	107.2790	0.000	1	107.2790	0.000	1	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[3]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]O)(CC[3]HH)(H)	C(C[3]C[3,5]O[3]H)(C[6]C[6]2H)(H)2	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(C[3]C[3,5]O[3]H)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	110.1700	0.000	2	110.1700	0.000	2	110.1700	0.000	2	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[5]HH)(H)	C(C[5]C[5]2Fe)(C[6]C[6]2H)(H)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(C[5]C[5]2Fe)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	108.4970	0.000	1	108.4970	0.000	1	108.4835	0.000	2	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]IrH)(C[6]C[6]H)(CC[5]HH)(H)	C(C[5]C[5]2Ir)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]IrH)(C[6]C[6]H)(CC[5]HH)(H){3|C<4>}	C(C[5]C[5]2Ir)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	108.4700	0.000	1	108.4700	0.000	1	108.4835	0.000	2	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-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(C[6]C[6]2H)(CH3)(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(C[6]C[6]2H)(CH3)(H)2	H(C[6]C[6]2C)	106.9210	0.000	1	106.9210	0.000	1	107.0215	2.256	81	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	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(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	114.7690	0.000	1	114.7690	0.000	1	107.0215	2.256	81	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(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(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	107.7740	0.000	1	107.7740	0.000	1	107.0215	2.256	81	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(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(C[6]C[6]2H)(CH3)(H)2	H(C[6]C[6]2C)	107.9430	0.000	1	107.9430	0.000	1	107.0215	2.256	81	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCHH)(H)	C(C[6]C[6]2H)(CHHN)(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(C[6]C[6]2H)(CHHN)(H)2	H(C[6]C[6]2C)	109.3170	0.000	1	109.3170	0.000	1	107.0215	2.256	81	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCHH)(H)	C(C[6]C[6]2H)(CHOO)(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(C[6]C[6]2H)(CHOO)(H)2	H(C[6]C[6]2C)	108.6150	0.000	1	108.6150	0.000	1	107.0215	2.256	81	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(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(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	107.3950	0.000	1	107.3950	0.000	1	107.0215	2.256	81	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]N[6,6]O)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(H)2	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(C[6]C[6]2H)(CH3)(H)2	H(C[6]C[6]2C)	106.0210	0.000	1	106.0210	0.000	1	107.0215	2.256	81	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]CH)(C[6]O[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	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(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	105.7610	0.000	1	105.7610	0.000	1	107.0215	2.256	81	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(H)2	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(C[6]C[6]2H)(CH3)(H)2	H(C[6]C[6]2C)	105.5965	0.124	2	105.5965	0.015	2	107.0215	2.256	81	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(H)2	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(C[6]C[6]2H)(CH3)(H)2	H(C[6]C[6]2C)	107.5470	0.000	1	107.7360	0.071	2	107.0215	2.256	81	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(H)2	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(C[6]C[6]2H)(CH3)(H)2	H(C[6]C[6]2C)	107.9250	0.000	1	107.7360	0.071	2	107.0215	2.256	81	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(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(C[6]C[6]2H)(CH3)(H)2	H(C[6]C[6]2C)	106.8930	0.000	1	106.8930	0.000	1	107.0215	2.256	81	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(H)2	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(C[6]C[6]2H)(CH3)(H)2	H(C[6]C[6]2C)	108.6580	0.124	2	108.6580	0.015	2	107.0215	2.256	81	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(H)2	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(C[6]C[6]2H)(CH3)(H)2	H(C[6]C[6]2C)	105.3163	0.147	3	105.3163	0.022	3	107.0215	2.256	81	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(H)2	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(C[6]C[6]2H)(CH3)(H)2	H(C[6]C[6]2C)	108.0650	0.000	1	108.0650	0.000	1	107.0215	2.256	81	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]O[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CHHN)(H)2	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(C[6]C[6]2H)(CHHN)(H)2	H(C[6]C[6]2C)	108.5190	0.000	1	108.5190	0.000	1	107.0215	2.256	81	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]O[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(H)2	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(C[6]C[6]2H)(CH3)(H)2	H(C[6]C[6]2C)	107.6450	0.000	1	107.6450	0.000	1	107.0215	2.256	81	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)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(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	104.8210	0.000	1	104.8210	0.000	1	107.0215	2.256	81	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6]2H)(CC[6]HH)(H)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(C[6]C[6]2H)(CC[6]HH)(H)2	H(C[6]C[6]2C)	103.1070	0.000	1	103.1070	0.000	1	107.0215	2.256	81	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6]2H)(CC[6a]HH)(H)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(C[6]C[6]2H)(CC[6a]HH)(H)2	H(C[6]C[6]2C)	105.6640	0.000	1	105.6640	0.000	1	107.0215	2.256	81	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6]2H)(CCHO)(H)2	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(C[6]C[6]2H)(CCHO)(H)2	H(C[6]C[6]2C)	106.0550	0.738	2	106.1937	0.330	3	107.0215	2.256	81	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6]2H)(CCHO)(H)2	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(C[6]C[6]2H)(CCHO)(H)2	H(C[6]C[6]2C)	106.4710	0.000	1	106.1937	0.330	3	107.0215	2.256	81	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6]2H)(CC[3]HH)(H)2	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(C[6]C[6]2H)(CC[3]HH)(H)2	H(C[6]C[6]2C)	105.9990	0.000	1	105.9990	0.000	1	107.0215	2.256	81	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(H)2	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(C[6]C[6]2H)(CH3)(H)2	H(C[6]C[6]2C)	107.8610	0.000	1	107.8610	0.000	1	107.0215	2.256	81	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	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(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	106.1170	0.000	1	107.3413	0.932	7	107.0215	2.256	81	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	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(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	105.7920	0.000	1	107.3413	0.932	7	107.0215	2.256	81	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	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(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	107.8960	0.196	5	107.3413	0.932	7	107.0215	2.256	81	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(H)2	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(C[6]C[6]2H)(CH3)(H)2	H(C[6]C[6]2C)	106.1497	0.382	3	106.1497	0.146	3	107.0215	2.256	81	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	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(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	105.6740	0.000	1	105.2560	0.349	2	107.0215	2.256	81	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	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(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	104.8380	0.000	1	105.2560	0.349	2	107.0215	2.256	81	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	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(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	107.2380	0.000	1	107.2380	0.000	1	107.0215	2.256	81	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]N[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(H)2	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(C[6]C[6]2H)(CH3)(H)2	H(C[6]C[6]2C)	108.0690	0.000	1	108.0690	0.000	1	107.0215	2.256	81	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]O[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	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(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	108.0580	0.000	1	108.0580	0.000	1	107.0215	2.256	81	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6]2H)(CBHH)(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(C[6]C[6]2H)(CBHH)(H)2	H(C[6]C[6]2C)	107.4510	0.000	1	107.4510	0.000	1	107.0215	2.256	81	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(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(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	106.8910	0.000	1	106.8910	0.000	1	107.0215	2.256	81	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6]2H)(CC[5]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(C[6]C[6]2H)(CC[5]HH)(H)2	H(C[6]C[6]2C)	106.8520	0.000	1	106.8520	0.000	1	107.0215	2.256	81	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(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(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	106.4755	0.565	2	105.1713	5.262	3	107.0215	2.256	81	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(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(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	102.5630	0.000	1	105.1713	5.262	3	107.0215	2.256	81	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(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(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	106.0405	0.571	2	106.0405	0.326	2	107.0215	2.256	81	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HI)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	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(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	105.5970	0.000	1	105.5970	0.000	1	107.0215	2.256	81	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(CCHH)(H)	C(C[6]C[6]2H)(CHHO)(H)2	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(C[6]C[6]2H)(CHHO)(H)2	H(C[6]C[6]2C)	107.0930	0.000	1	107.0930	0.000	1	107.0215	2.256	81	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	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(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	106.8950	0.000	1	106.8950	0.000	1	107.0215	2.256	81	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	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(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	106.8680	0.000	1	106.8680	0.000	1	107.0215	2.256	81	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	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(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	106.7580	0.247	2	106.7580	0.061	2	107.0215	2.256	81	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]N)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	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(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	108.5470	0.000	1	108.5470	0.000	1	107.0215	2.256	81	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(H)2	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(C[6]C[6]2H)(CH3)(H)2	H(C[6]C[6]2C)	107.3200	0.000	1	107.3200	0.000	1	107.0215	2.256	81	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(H)2	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(C[6]C[6]2H)(CH3)(H)2	H(C[6]C[6]2C)	107.0385	0.127	2	107.0385	0.016	2	107.0215	2.256	81	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	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(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	107.4915	0.473	2	107.2510	0.285	3	107.0215	2.256	81	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	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(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	106.7700	0.000	1	107.2510	0.285	3	107.0215	2.256	81	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CClHH)(H)2	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(C[6]C[6]2H)(CClHH)(H)2	H(C[6]C[6]2C)	107.4770	0.791	2	107.4770	0.625	2	107.0215	2.256	81	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(H)2	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(C[6]C[6]2H)(CH3)(H)2	H(C[6]C[6]2C)	108.7390	0.000	1	108.1638	0.247	6	107.0215	2.256	81	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(H)2	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(C[6]C[6]2H)(CH3)(H)2	H(C[6]C[6]2C)	107.3060	0.000	1	108.1638	0.247	6	107.0215	2.256	81	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(H)2	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(C[6]C[6]2H)(CH3)(H)2	H(C[6]C[6]2C)	108.3220	0.167	3	108.1638	0.247	6	107.0215	2.256	81	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(H)2	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(C[6]C[6]2H)(CH3)(H)2	H(C[6]C[6]2C)	107.9720	0.000	1	108.1638	0.247	6	107.0215	2.256	81	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]C)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	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(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	108.0890	0.000	1	108.0890	0.000	1	107.0215	2.256	81	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]CC)(C[6]N[5,6]C)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)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(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	106.0320	0.000	1	106.0320	0.000	1	107.0215	2.256	81	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-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(C[6]C[6]2H)(CClHH)(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(C[6]C[6]2H)(CClHH)(H)2	H(C[6]C[6]2C)	107.0940	0.000	1	107.0940	0.000	1	107.0215	2.256	81	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-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(C[6]C[6]2H)(CHHO)(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(C[6]C[6]2H)(CHHO)(H)2	H(C[6]C[6]2C)	106.7205	0.285	2	106.7205	0.081	2	107.0215	2.256	81	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]CC)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6]2H)(CCHO)(H)2	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(C[6]C[6]2H)(CCHO)(H)2	H(C[6]C[6]2C)	106.9960	0.000	1	106.9960	0.000	1	107.0215	2.256	81	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	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(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	107.3780	0.000	1	107.3780	0.000	1	107.0215	2.256	81	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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]2H)(C[6]C[6]O)(CC[6]HH)(H)	C(C[6]C[6]2H)2(H)2	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(C[6]C[6]2H)2(H)2	H(C[6]C[6]2C)	105.7400	0.000	2	105.4887	0.190	3	106.3338	1.395	13	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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]2H)(C[6]C[6]O)(CC[6]HH)(H)	C(C[6]C[6]2H)2(H)2	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(C[6]C[6]2H)2(H)2	H(C[6]C[6]2C)	104.9860	0.000	1	105.4887	0.190	3	106.3338	1.395	13	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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]CC)(C[6]C[6]C)(CC[6]HH)(H)	C(C[6]C[6,6]C[6]H)(C[6]C[6]2H)(H)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(C[6]C[6,6]C[6]H)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	107.4610	0.000	1	107.4610	0.000	1	106.3338	1.395	13	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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]CC)(C[6]C[6]C)(CC[6]HH)(H)	C(C[6]C[6]2H)2(H)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|O<2>,3|H<1>}	C(C[6]C[6]2H)2(H)2	H(C[6]C[6]2C)	106.2015	0.767	2	106.0080	0.407	3	106.3338	1.395	13	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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]CC)(C[6]C[6]C)(CC[6]HH)(H)	C(C[6]C[6]2H)2(H)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>,2|H<1>,2|O<2>}	C(C[6]C[6]2H)2(H)2	H(C[6]C[6]2C)	105.6210	0.000	1	106.0080	0.407	3	106.3338	1.395	13	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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]CC)(C[6]C[6]O)(CC[6]HH)(H)	C(C[6]C[6]2H)2(H)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(C[6]C[6]2H)2(H)2	H(C[6]C[6]2C)	103.9180	0.000	1	103.9180	0.000	1	106.3338	1.395	13	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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]CH)(C[6]C[6]C)(CC[6]HH)(H)	C(C[6]C[5a,6]N[6]H)(C[6]C[6]2H)(H)2	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(C[6]C[5a,6]N[6]H)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	107.7520	0.085	2	107.7520	0.007	2	106.3338	1.395	13	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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]CH)(C[6]C[6]H)(CC[6]HH)(H)	C(C[6]C[6]2Cr)(C[6]C[6]2H)(H)2	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(C[6]C[6]2Cr)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	107.4980	0.000	1	107.4980	0.000	1	106.3338	1.395	13	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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]CH)(C[6]C[6]O)(CC[6]HH)(H)	C(C[6]C[6]2Cr)(C[6]C[6]2H)(H)2	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(C[6]C[6]2Cr)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	106.3630	0.000	1	106.3630	0.000	1	106.3338	1.395	13	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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(C[6]C[6]2Cr)(C[6]C[6]2H)(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(C[6]C[6]2Cr)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	107.1060	0.000	1	107.1060	0.000	1	106.3338	1.395	13	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:In-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CInHH)(H)	C(C[6]C[6]2H)(InIIP)(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(C[6]C[6]2H)(InIIP)(H)2	H(C[6]C[6]2C)	108.3500	0.000	1	108.3500	0.000	1	108.3500	0.000	1	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:N-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHN)(H)	C(C[6]C[6]2H)(NCHH)(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(C[6]C[6]2H)(NCHH)(H)2	H(C[6]C[6]2C)	103.4480	0.000	1	103.4480	0.000	1	103.4480	0.000	1	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:P-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHP)(H)	C(C[6]C[6]2H)(PFeCC)(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(C[6]C[6]2H)(PFeCC)(H)2	H(C[6]C[6]2C)	107.3380	0.000	1	107.3380	0.000	1	106.4157	0.649	3	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:P-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]Ru)(CHHP)(H)	C(C[6]C[6]2H)(PRuCC)(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(C[6]C[6]2H)(PRuCC)(H)2	H(C[6]C[6]2C)	105.9545	0.146	2	105.9545	0.021	2	106.4157	0.649	3	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:Si-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]Si)(CSiHH)(H)	C(C[6]C[6]2H)(SiC[6a]2C)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]Si)(CSiHH)(H){3|C<3>}	C(C[6]C[6]2H)(SiC[6a]2C)(H)2	H(C[6]C[6]2C)	108.2790	0.000	1	108.2790	0.000	1	108.2790	0.000	1	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CBrCH)(H)	C(C[6]C[6]N[6]H)(CCHH)(Br)(H)	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(C[6]C[6]N[6]H)(CCHH)(Br)(H)	H(C[6]C[6]N[6]C)	107.1305	0.315	2	107.1305	0.099	2	107.1305	0.099	2	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCFH)(H)	C(C[6]C[6]N[6]H)(CC[6a]HH)(F)(H)	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(C[6]C[6]N[6]H)(CC[6a]HH)(F)(H)	H(C[6]C[6]N[6]C)	107.3490	0.000	1	107.3490	0.000	1	107.3490	0.000	1	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHH)(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(C[6]C[6]N[6]H)(CCHH)(H)2	H(C[6]C[6]N[6]C)	107.1440	0.000	1	107.1440	0.000	1	107.7299	0.932	41	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCCH)(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(C[6]C[6]N[6]H)(CCCH)(H)2	H(C[6]C[6]N[6]C)	106.5380	0.000	1	106.5380	0.000	1	107.7299	0.932	41	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(N[6]S[6]H)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHH)(H)2	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(C[6]C[6]N[6]H)(CCHH)(H)2	H(C[6]C[6]N[6]C)	107.8910	0.000	1	107.8910	0.000	1	107.7299	0.932	41	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]FH)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHH)(H)2	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(C[6]C[6]N[6]H)(CCHH)(H)2	H(C[6]C[6]N[6]C)	107.4690	0.000	1	107.4690	0.000	1	107.7299	0.932	41	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHH)(H)2	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(C[6]C[6]N[6]H)(CCHH)(H)2	H(C[6]C[6]N[6]C)	109.1580	0.000	1	109.1580	0.000	1	107.7299	0.932	41	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(N[6]C[6]S)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHH)(H)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(C[6]C[6]N[6]H)(CCHH)(H)2	H(C[6]C[6]N[6]C)	107.5415	0.006	2	107.5415	0.000	2	107.7299	0.932	41	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(CCHH)(H)	C(C[6]C[6]N[6]H)(CC[6a]HH)(H)2	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(C[6]C[6]N[6]H)(CC[6a]HH)(H)2	H(C[6]C[6]N[6]C)	107.5830	0.000	1	107.5830	0.000	1	107.7299	0.932	41	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CH3)(H)2	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(C[6]C[6]N[6]H)(CH3)(H)2	H(C[6]C[6]N[6]C)	107.7420	0.000	1	107.7420	0.000	1	107.7299	0.932	41	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCCH)(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(C[6]C[6]N[6]H)(CCCH)(H)2	H(C[6]C[6]N[6]C)	107.9105	0.158	2	108.5670	0.367	5	107.7299	0.932	41	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCCH)(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(C[6]C[6]N[6]H)(CCCH)(H)2	H(C[6]C[6]N[6]C)	108.9400	0.000	1	108.5670	0.367	5	107.7299	0.932	41	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCCH)(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(C[6]C[6]N[6]H)(CCCH)(H)2	H(C[6]C[6]N[6]C)	109.0370	0.000	2	108.5670	0.367	5	107.7299	0.932	41	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHH)(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(C[6]C[6]N[6]H)(CCHH)(H)2	H(C[6]C[6]N[6]C)	106.5295	0.671	2	106.7528	0.309	4	107.7299	0.932	41	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHH)(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(C[6]C[6]N[6]H)(CCHH)(H)2	H(C[6]C[6]N[6]C)	106.9760	0.528	2	106.7528	0.309	4	107.7299	0.932	41	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CC[6a]HH)(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(C[6]C[6]N[6]H)(CC[6a]HH)(H)2	H(C[6]C[6]N[6]C)	107.5760	0.378	2	107.5760	0.143	2	107.7299	0.932	41	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CH3)(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(C[6]C[6]N[6]H)(CH3)(H)2	H(C[6]C[6]N[6]C)	108.5700	0.574	2	108.5700	0.330	2	107.7299	0.932	41	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CHHO)(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(C[6]C[6]N[6]H)(CHHO)(H)2	H(C[6]C[6]N[6]C)	107.2430	0.000	1	107.2430	0.000	1	107.7299	0.932	41	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCCH)(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(C[6]C[6]N[6]H)(CCCH)(H)2	H(C[6]C[6]N[6]C)	108.7615	0.384	2	108.7615	0.147	2	107.7299	0.932	41	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHH)(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(C[6]C[6]N[6]H)(CCHH)(H)2	H(C[6]C[6]N[6]C)	105.5400	0.000	1	107.2105	5.581	2	107.7299	0.932	41	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHH)(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(C[6]C[6]N[6]H)(CCHH)(H)2	H(C[6]C[6]N[6]C)	108.8810	0.000	1	107.2105	5.581	2	107.7299	0.932	41	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHO)(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(C[6]C[6]N[6]H)(CCHO)(H)2	H(C[6]C[6]N[6]C)	108.1515	0.122	2	108.1515	0.015	2	107.7299	0.932	41	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHH)(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(C[6]C[6]N[6]H)(CCHH)(H)2	H(C[6]C[6]N[6]C)	107.4540	0.000	1	107.4540	0.000	1	107.7299	0.932	41	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H)	C(C[6]C[6]N[6]H)(CH3)(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(C[6]C[6]N[6]H)(CH3)(H)2	H(C[6]C[6]N[6]C)	107.4340	0.000	1	107.4340	0.000	1	107.7299	0.932	41	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHO)(H)2	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(C[6]C[6]N[6]H)(CCHO)(H)2	H(C[6]C[6]N[6]C)	105.8350	0.819	2	105.8350	0.670	2	107.7299	0.932	41	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HS)(N[6]C[6]S)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHH)(H)2	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(C[6]C[6]N[6]H)(CCHH)(H)2	H(C[6]C[6]N[6]C)	107.6750	0.344	2	107.6750	0.118	2	107.7299	0.932	41	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]MoH)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHO)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]MoH)(N[6]C[6]C)(CCHH)(H){1|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(CCHO)(H)2	H(C[6]C[6]N[6]C)	108.8000	0.000	1	108.8000	0.000	1	107.7299	0.932	41	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHH)(H)2	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(C[6]C[6]N[6]H)(CCHH)(H)2	H(C[6]C[6]N[6]C)	109.0700	0.000	1	109.0700	0.000	1	107.7299	0.932	41	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]S)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHH)(H)2	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(C[6]C[6]N[6]H)(CCHH)(H)2	H(C[6]C[6]N[6]C)	106.9820	0.000	1	106.9820	0.000	1	107.7299	0.932	41	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(N[6]C[6]S)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHH)(H)2	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(C[6]C[6]N[6]H)(CCHH)(H)2	H(C[6]C[6]N[6]C)	108.7140	0.000	1	108.7140	0.000	1	107.7299	0.932	41	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]CH)(N[6]C[6]S)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHH)(H)2	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(C[6]C[6]N[6]H)(CCHH)(H)2	H(C[6]C[6]N[6]C)	107.5420	0.000	1	107.6085	0.009	2	107.7299	0.932	41	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]CH)(N[6]C[6]S)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHH)(H)2	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(C[6]C[6]N[6]H)(CCHH)(H)2	H(C[6]C[6]N[6]C)	107.6750	0.000	1	107.6085	0.009	2	107.7299	0.932	41	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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(C[6]C[6,6]C[6]H)(C[6]C[6]N[6]H)(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(C[6]C[6,6]C[6]H)(C[6]C[6]N[6]H)(H)2	H(C[6]C[6]N[6]C)	108.6610	0.000	1	108.6610	0.000	1	108.6610	0.000	1	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CHHN)(H)	C(C[6]C[6]N[6]H)(NCCH)(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(C[6]C[6]N[6]H)(NCCH)(H)2	H(C[6]C[6]N[6]C)	108.4245	0.310	2	108.4245	0.096	2	108.4245	0.096	2	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[5]-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(C[6]C[6]N[6]H)(N[5]C[5]2H)(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(C[6]C[6]N[6]H)(N[5]C[5]2H)(H)2	H(C[6]C[6]N[6]C)	107.7930	0.000	1	107.7930	0.000	1	107.7930	0.000	1	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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]C[6]HH)(N[6]C[6]C)(CN[6]HH)(H)	C(C[6]C[6]N[6]H)(N[6]C[6]2H)(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(C[6]C[6]N[6]H)(N[6]C[6]2H)(H)2	H(C[6]C[6]N[6]C)	108.4460	0.000	1	108.4460	0.000	1	108.4460	0.000	1	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	N[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]CH)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CH3)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6]CH)(C[6]C[6]C)(CCHH)(H){1|H<1>,3|C<4>}	C(C[6]C[6]N[6]H)(CH3)(H)2	H(C[6]C[6]N[6]C)	105.8390	0.000	1	106.1620	0.209	2	106.5580	0.373	4	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	N[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]CH)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CH3)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6]CH)(C[6]C[6]C)(CCHH)(H){4|C<4>}	C(C[6]C[6]N[6]H)(CH3)(H)2	H(C[6]C[6]N[6]C)	106.4850	0.000	1	106.1620	0.209	2	106.5580	0.373	4	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:1:1:	4:	N[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6]H)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CH3)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6a]C[6]H)(C[6]C[6]C)(CCHH)(H){1|H<1>,2|C<3>,3|C<4>}	C(C[6]C[6]N[6]H)(CH3)(H)2	H(C[6]C[6]N[6]C)	106.9540	0.532	2	106.9540	0.283	2	106.5580	0.373	4	107.0446	2.161	221	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:2:1:	4:	C[5,6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-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]C)(CCHO)(H)	C(C[6]C[5,6,6]C[6]H)(CCHH)(OC)(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]C)(CCHO)(H){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C(C[6]C[5,6,6]C[6]H)(CCHH)(OC)(H)	H(C[6]C[5,6,6]C[6]C)	105.1170	0.492	2	105.1170	0.242	2	105.1170	0.242	2	107.0881	1.232	49	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:2:1:	4:	C[5,6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(N[6]C[6]C)(CCHO)(H)	C(C[6]C[5,6]N[6]H)(CHHO)(OS)(H)	H(C[6]C[5,6]N[6]C)	C[6](C[5,6]C[5,6]N[5]H)(N[6]C[6]C)(CCHO)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[5,6]N[6]H)(CHHO)(OS)(H)	H(C[6]C[5,6]N[6]C)	106.7000	0.000	1	106.7000	0.000	1	107.3810	0.306	15	107.0881	1.232	49	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:2:1:	4:	C[5,6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(CCHO)(H)	C(C[6]C[5,6]N[6]H)(CHHO)(OH)(H)	H(C[6]C[5,6]N[6]C)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(CCHO)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(C[6]C[5,6]N[6]H)(CHHO)(OH)(H)	H(C[6]C[5,6]N[6]C)	107.9258	0.478	6	107.9258	0.229	6	107.3810	0.306	15	107.0881	1.232	49	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:2:1:	4:	C[5,6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(CCHO)(H)	C(C[6]C[5,6]N[6]H)(CHHO)(OH)(H)	H(C[6]C[5,6]N[6]C)	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(CCHO)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(C[6]C[5,6]N[6]H)(CHHO)(OH)(H)	H(C[6]C[5,6]N[6]C)	107.0575	0.094	8	107.0575	0.009	8	107.3810	0.306	15	107.0881	1.232	49	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(CCHO)(H)	C(C[6]C[6]2H)(CC[6]HH)(OH)(H)	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(C[6]C[6]2H)(CC[6]HH)(OH)(H)	H(C[6]C[6]2C)	103.9240	0.000	2	103.9240	0.000	2	106.6644	1.446	18	107.0881	1.232	49	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CCHO)(H)	C(C[6]C[6]2H)(CCHN)(OH)(H)	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(C[6]C[6]2H)(CCHN)(OH)(H)	H(C[6]C[6]2C)	106.3240	0.000	1	106.3240	0.000	1	106.6644	1.446	18	107.0881	1.232	49	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]O)(CCHO)(H)	C(C[6]C[6]2H)(CCHH)(OH)(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(C[6]C[6]2H)(CCHH)(OH)(H)	H(C[6]C[6]2C)	107.4600	0.000	1	107.4600	0.000	1	106.6644	1.446	18	107.0881	1.232	49	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]O)(CCHO)(H)	C(C[6]C[6]2H)(CC3)(OH)(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(C[6]C[6]2H)(CC3)(OH)(H)	H(C[6]C[6]2C)	107.6410	0.318	2	107.6410	0.101	2	106.6644	1.446	18	107.0881	1.232	49	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]O)(CCHO)(H)	C(C[6]C[6]2H)(CCHH)(OH)(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(C[6]C[6]2H)(CCHH)(OH)(H)	H(C[6]C[6]2C)	107.3230	0.000	1	107.3230	0.000	1	106.6644	1.446	18	107.0881	1.232	49	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]O)(CCHO)(H)	C(C[6]C[6]2H)(CC[6a]CH)(OH)(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(C[6]C[6]2H)(CC[6a]CH)(OH)(H)	H(C[6]C[6]2C)	107.6695	0.241	2	107.6695	0.058	2	106.6644	1.446	18	107.0881	1.232	49	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]O)(CCHO)(H)	C(C[6]C[6]2H)(CC[6a]HO)(OH)(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(C[6]C[6]2H)(CC[6a]HO)(OH)(H)	H(C[6]C[6]2C)	107.5030	0.000	1	107.5030	0.000	1	106.6644	1.446	18	107.0881	1.232	49	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHO)(H)	C(C[6]C[6]2H)(CCCH)(OSi)(H)	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(C[6]C[6]2H)(CCCH)(OSi)(H)	H(C[6]C[6]2C)	106.4300	0.000	1	106.4300	0.000	1	106.6644	1.446	18	107.0881	1.232	49	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(H)	C(C[6]C[6]2H)(CCHH)(OH)(H)	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(C[6]C[6]2H)(CCHH)(OH)(H)	H(C[6]C[6]2C)	106.1410	0.000	1	106.1410	0.000	1	106.6644	1.446	18	107.0881	1.232	49	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(H)	C(C[6]C[6]2H)(CC[5,5]HH)(OH)(H)	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(C[6]C[6]2H)(CC[5,5]HH)(OH)(H)	H(C[6]C[6]2C)	108.0800	0.000	1	108.0800	0.000	1	106.6644	1.446	18	107.0881	1.232	49	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(H)	C(C[6]C[6]2H)(CC[6a]2H)(OH)(H)	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(C[6]C[6]2H)(CC[6a]2H)(OH)(H)	H(C[6]C[6]2C)	107.2160	0.000	1	107.2160	0.000	1	106.6644	1.446	18	107.0881	1.232	49	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]O)(CCHO)(H)	C(C[6]C[6]2H)(CF3)(OC)(H)	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(C[6]C[6]2H)(CF3)(OC)(H)	H(C[6]C[6]2C)	106.2060	0.000	1	106.2060	0.000	1	106.6644	1.446	18	107.0881	1.232	49	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]2)(CCHO)(H)	C(C[6]C[6]2H)(CCHH)(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(C[6]C[6]2H)(CCHH)(OH)(H)	H(C[6]C[6]2C)	106.2690	0.374	3	106.2690	0.140	3	106.6644	1.446	18	107.0881	1.232	49	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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:S-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHS)(H)	C(C[6]C[6]2H)(CCHH)(SC)(H)	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(C[6]C[6]2H)(CCHH)(SC)(H)	H(C[6]C[6]2C)	107.7470	0.000	1	107.7470	0.000	1	107.7470	0.000	1	107.0881	1.232	49	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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]CC)(C[6]C[6]C)(CC[6]HO)(H)	C(C[6]C[6]2H)2(OC)(H)	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(C[6]C[6]2H)2(OC)(H)	H(C[6]C[6]2C)	104.4060	0.000	1	104.4060	0.000	1	104.4060	0.000	1	107.0881	1.232	49	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:S-4:C-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(CCHS)(H)	C(C[6]C[6]2H)(SC[6a]OO)(CN)(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(C[6]C[6]2H)(SC[6a]OO)(CN)(H)	H(C[6]C[6]2C)	107.7690	0.000	1	107.7690	0.000	1	107.7690	0.000	1	107.0881	1.232	49	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:2:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-2:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCCH)(H)	C(C[6]C[6]N[6]H)(CH3)(CC)(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(C[6]C[6]N[6]H)(CH3)(CC)(H)	H(C[6]C[6]N[6]C)	108.1375	0.047	2	108.1375	0.002	2	108.1375	0.002	2	107.0881	1.232	49	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:2:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(CCHO)(H)	C(C[6]C[6]N[6]H)(CCCH)(OC)(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(C[6]C[6]N[6]H)(CCCH)(OC)(H)	H(C[6]C[6]N[6]C)	107.5415	0.504	2	107.5415	0.254	2	107.8016	0.357	9	107.0881	1.232	49	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:2:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(N[6]C[6]H)(CCHO)(H)	C(C[6]C[6]N[6]H)(CCHO)(OH)(H)	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(C[6]C[6]N[6]H)(CCHO)(OH)(H)	H(C[6]C[6]N[6]C)	107.3130	0.054	2	107.3130	0.003	2	107.8016	0.357	9	107.0881	1.232	49	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:2:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHO)(H)	C(C[6]C[6]N[6]H)(CH3)(OC)(H)	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(C[6]C[6]N[6]H)(CH3)(OC)(H)	H(C[6]C[6]N[6]C)	108.0060	0.000	1	108.0060	0.000	1	107.8016	0.357	9	107.0881	1.232	49	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:2:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHO)(H)	C(C[6]C[6]N[6]H)(CHHO)(OC)(H)	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(C[6]C[6]N[6]H)(CHHO)(OC)(H)	H(C[6]C[6]N[6]C)	108.3130	0.000	1	108.3130	0.000	1	107.8016	0.357	9	107.0881	1.232	49	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:2:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHO)(H)	C(C[6]C[6]N[6]H)(CCCO)(OH)(H)	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(C[6]C[6]N[6]H)(CCCO)(OH)(H)	H(C[6]C[6]N[6]C)	108.5420	0.000	1	108.5420	0.000	1	107.8016	0.357	9	107.0881	1.232	49	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:2:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHO)(H)	C(C[6]C[6]N[6]H)(CCHH)(OH)(H)	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(C[6]C[6]N[6]H)(CCHH)(OH)(H)	H(C[6]C[6]N[6]C)	108.5740	0.000	1	108.5740	0.000	1	107.8016	0.357	9	107.0881	1.232	49	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:2:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCHO)(H)	C(C[6]C[6]N[6]H)(CHHO)(OSi)(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(C[6]C[6]N[6]H)(CHHO)(OSi)(H)	H(C[6]C[6]N[6]C)	107.0700	0.000	1	107.0700	0.000	1	107.8016	0.357	9	107.0881	1.232	49	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:3:1:	4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:N-3:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]C)(CCHN)(H)	C(C[6]C[3,6]C[6]H)(CH3)(NOS)(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]C)(CCHN)(H){2|H<1>,3|C<4>}	C(C[6]C[3,6]C[6]H)(CH3)(NOS)(H)	H(C[6]C[3,6]C[6]C)	106.0190	0.000	1	106.0190	0.000	1	106.0190	0.000	1	107.0948	1.533	18	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-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(C[6]C[6,6]C[6]H)(CH3)(COO)(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(C[6]C[6,6]C[6]H)(CH3)(COO)(H)	H(C[6]C[6,6]C[6]C)	103.0520	0.000	1	103.0520	0.000	1	103.0520	0.000	1	107.0948	1.533	18	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CCCH)(H)	C(C[6]C[6]2H)(CH3)(COO)(H)	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(C[6]C[6]2H)(CH3)(COO)(H)	H(C[6]C[6]2C)	106.7830	0.000	1	106.7830	0.000	1	107.7166	0.276	9	107.0948	1.533	18	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCH)(H)	C(C[6]C[6]2H)(CHHO)(COO)(H)	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(C[6]C[6]2H)(CHHO)(COO)(H)	H(C[6]C[6]2C)	106.9910	0.000	1	106.9910	0.000	1	107.7166	0.276	9	107.0948	1.533	18	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H)	C(C[6]C[6]2H)(CHHN)(CBrC)(H)	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(C[6]C[6]2H)(CHHN)(CBrC)(H)	H(C[6]C[6]2C)	108.1950	0.000	2	108.0190	0.042	4	107.7166	0.276	9	107.0948	1.533	18	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H)	C(C[6]C[6]2H)(CHHN)(CBrC)(H)	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(C[6]C[6]2H)(CHHN)(CBrC)(H)	H(C[6]C[6]2C)	107.8430	0.048	2	108.0190	0.042	4	107.7166	0.276	9	107.0948	1.533	18	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H)	C(C[6]C[6]2H)(CHHN)(CCH)(H)	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(C[6]C[6]2H)(CHHN)(CCH)(H)	H(C[6]C[6]2C)	107.6630	0.000	2	107.6630	0.000	2	107.7166	0.276	9	107.0948	1.533	18	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(C[6]C[6]O)(CCCH)(H)	C(C[6]C[6]2H)(CHHN)(CCH)(H)	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(C[6]C[6]2H)(CHHN)(CCH)(H)	H(C[6]C[6]2C)	108.2730	0.000	1	108.2730	0.000	1	107.7166	0.276	9	107.0948	1.533	18	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHN)(H)	C(C[6]C[6]2H)(CCHH)(NHS)(H)	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(C[6]C[6]2H)(CCHH)(NHS)(H)	H(C[6]C[6]2C)	106.9930	0.000	1	106.9930	0.000	1	106.5750	0.349	2	107.0948	1.533	18	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]OO)(C[6]C[6]C)(CCHN)(H)	C(C[6]C[6]2H)(CCHH)(NOO)(H)	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(C[6]C[6]2H)(CCHH)(NOO)(H)	H(C[6]C[6]2C)	106.1570	0.000	1	106.1570	0.000	1	106.5750	0.349	2	107.0948	1.533	18	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[4,6]ClH)(N[6]C[6]C)(CCCH)(H)	C(C[6]C[6]N[6]H)(CCCO)(CCH)(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(C[6]C[6]N[6]H)(CCCO)(CCH)(H)	H(C[6]C[6]N[6]C)	106.1390	0.000	1	106.1390	0.000	1	107.2072	0.479	5	107.0948	1.533	18	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCCH)(H)	C(C[6]C[6]N[6]H)(CC[6a]HH)(COO)(H)	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(C[6]C[6]N[6]H)(CC[6a]HH)(COO)(H)	H(C[6]C[6]N[6]C)	106.9780	0.000	1	106.9780	0.000	1	107.2072	0.479	5	107.0948	1.533	18	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCCH)(H)	C(C[6]C[6]N[6]H)(CCCH)(CCO)(H)	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(C[6]C[6]N[6]H)(CCCH)(CCO)(H)	H(C[6]C[6]N[6]C)	107.4330	0.000	1	107.4330	0.000	1	107.2072	0.479	5	107.0948	1.533	18	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]S)(CCCH)(H)	C(C[6]C[6]N[6]H)(CH3)(CCH)(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(C[6]C[6]N[6]H)(CH3)(CCH)(H)	H(C[6]C[6]N[6]C)	107.7430	0.313	2	107.7430	0.098	2	107.2072	0.479	5	107.0948	1.533	18	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:3:2:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-3:O-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCO)(H)	C(C[6]C[6]2H)(CF3)(COO)(OH)	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(C[6]C[6]2H)(CF3)(COO)(OH)	H(C[6]C[6]2C)	107.7115	0.600	2	107.1722	0.363	5	107.1722	0.363	5	107.1722	0.363	5	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:3:2:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-3:O-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCO)(H)	C(C[6]C[6]2H)(CF3)(COO)(OH)	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(C[6]C[6]2H)(CF3)(COO)(OH)	H(C[6]C[6]2C)	106.8127	0.245	3	107.1722	0.363	5	107.1722	0.363	5	107.1722	0.363	5	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:3:3:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC3)(H)	C(C[6]C[6]2H)(CCHH)(COO)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(C[6]C[6]2H)(CCHH)(COO)2	H(C[6]C[6]2C)	105.9560	0.000	1	105.9560	0.000	1	105.9560	0.000	1	105.9560	0.000	1	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:4:1:	4:	B[3x6]-4:C[6,6a]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](B[3x6]C[6,6]2N[6,6])(C[6,6a]C[6,6a]C[6a])(CCCH)(H)	C(C[6]C[6,6a]B[3x6]H)(CH3)2(H)	H(C[6]C[6,6a]B[3x6]C)	C[6](B[3x6]C[6,6]2N[6,6])(C[6,6a]C[6,6a]C[6a])(CCCH)(H){3|H<1>,4|C<3>,4|C<4>}	C(C[6]C[6,6a]B[3x6]H)(CH3)2(H)	H(C[6]C[6,6a]B[3x6]C)	105.4390	0.906	6	105.4390	0.821	6	105.6747	1.073	7	106.7313	1.024	58	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:4:1:	4:	B[3x6]-4:C[6,6a]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](B[3x6]N[6,6a]C[6,6]2)(C[6,6a]C[6,6a]C[6a])(CCCH)(H)	C(C[6]C[6,6a]B[3x6]H)(CH3)2(H)	H(C[6]C[6,6a]B[3x6]C)	C[6](B[3x6]N[6,6a]C[6,6]2)(C[6,6a]C[6,6a]C[6a])(CCCH)(H){3|H<1>,4|C<3>,4|C<4>}	C(C[6]C[6,6a]B[3x6]H)(CH3)2(H)	H(C[6]C[6,6a]B[3x6]C)	107.0890	0.000	1	107.0890	0.000	1	105.6747	1.073	7	106.7313	1.024	58	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(CCCH)(H)	C(C[6]C[6,6]C[6]H)(CCCH)(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]H)(CCCH)(H){2|H<1>,5|C<4>}	C(C[6]C[6,6]C[6]H)(CCCH)(CCHH)(H)	H(C[6]C[6,6]C[6]C)	105.1045	0.463	2	105.1045	0.215	2	105.1045	0.215	2	106.7313	1.024	58	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(H)	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(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	107.3620	0.495	2	107.5133	0.191	3	106.8563	0.859	38	106.7313	1.024	58	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(H)	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(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	107.8160	0.000	1	107.5133	0.191	3	106.8563	0.859	38	106.7313	1.024	58	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CCCH)(H)	C(C[6]C[6]2H)(CHHO)(CH3)(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(C[6]C[6]2H)(CHHO)(CH3)(H)	H(C[6]C[6]2C)	106.2590	0.000	1	106.2590	0.000	1	106.8563	0.859	38	106.7313	1.024	58	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(H)	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(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	106.4025	0.629	2	106.4025	0.395	2	106.8563	0.859	38	106.7313	1.024	58	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CCCH)(H)	C(C[6]C[6]2H)(CCHH)2(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(C[6]C[6]2H)(CCHH)2(H)	H(C[6]C[6]2C)	108.1140	0.523	2	108.1140	0.274	2	106.8563	0.859	38	106.7313	1.024	58	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(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(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	106.7375	1.247	2	106.8217	0.798	3	106.8563	0.859	38	106.7313	1.024	58	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(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(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	106.9900	0.000	1	106.8217	0.798	3	106.8563	0.859	38	106.7313	1.024	58	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(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(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	106.8180	0.000	1	106.8180	0.000	1	106.8563	0.859	38	106.7313	1.024	58	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]O)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(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(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	106.1260	0.000	1	106.1260	0.000	1	106.8563	0.859	38	106.7313	1.024	58	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]O[6]O)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(H)	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(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	106.5235	1.447	2	106.5235	2.095	2	106.8563	0.859	38	106.7313	1.024	58	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCH)(H)	C(C[6]C[6]2H)(CC[5]HH)(CH3)(H)	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(C[6]C[6]2H)(CC[5]HH)(CH3)(H)	H(C[6]C[6]2C)	106.3000	0.000	1	106.3000	0.000	1	106.8563	0.859	38	106.7313	1.024	58	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(H)	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(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	107.3410	0.000	1	107.3410	0.000	1	106.8563	0.859	38	106.7313	1.024	58	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH)(H)	C(C[6]C[6]2H)(CHHO)(CH3)(H)	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(C[6]C[6]2H)(CHHO)(CH3)(H)	H(C[6]C[6]2C)	106.5540	0.000	1	106.5540	0.000	1	106.8563	0.859	38	106.7313	1.024	58	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(H)	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(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	107.5652	0.859	4	107.5652	0.738	4	106.8563	0.859	38	106.7313	1.024	58	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H)	C(C[6]C[6]2H)(CCHH)(CH3)(H)	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(C[6]C[6]2H)(CCHH)(CH3)(H)	H(C[6]C[6]2C)	106.3820	0.000	1	106.3820	0.000	1	106.8563	0.859	38	106.7313	1.024	58	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(H)	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(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	106.3373	0.450	3	106.7465	0.805	4	106.8563	0.859	38	106.7313	1.024	58	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(H)	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(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	107.9740	0.000	1	106.7465	0.805	4	106.8563	0.859	38	106.7313	1.024	58	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]O)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(H)	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(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	106.3530	0.000	1	106.3530	0.000	1	106.8563	0.859	38	106.7313	1.024	58	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(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(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	108.9330	0.000	1	106.4635	2.727	4	106.8563	0.859	38	106.7313	1.024	58	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(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(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	105.6403	0.158	3	106.4635	2.727	4	106.8563	0.859	38	106.7313	1.024	58	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(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(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	106.1040	0.060	4	106.7032	0.864	6	106.8563	0.859	38	106.7313	1.024	58	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(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(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	107.9015	0.042	2	106.7032	0.864	6	106.8563	0.859	38	106.7313	1.024	58	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]H)(CCCH)(H)	C(C[6]C[6]N[6]H)(CCHH)(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(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	H(C[6]C[6]N[6]C)	106.2800	0.000	1	106.2800	0.000	1	107.3430	0.270	10	106.7313	1.024	58	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCCH)(H)	C(C[6]C[6]N[6]H)(CH3)2(H)	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(C[6]C[6]N[6]H)(CH3)2(H)	H(C[6]C[6]N[6]C)	107.5510	0.338	3	107.5510	0.114	3	107.3430	0.270	10	106.7313	1.024	58	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]P)(CCCH)(H)	C(C[6]C[6]N[6]H)(CH3)2(H)	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(C[6]C[6]N[6]H)(CH3)2(H)	H(C[6]C[6]N[6]C)	107.4530	0.000	1	107.4530	0.000	1	107.3430	0.270	10	106.7313	1.024	58	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCCH)(H)	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	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(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	H(C[6]C[6]N[6]C)	106.8170	0.000	1	106.8170	0.000	1	107.3430	0.270	10	106.7313	1.024	58	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCCH)(H)	C(C[6]C[6]N[6]H)(CH3)2(H)	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(C[6]C[6]N[6]H)(CH3)2(H)	H(C[6]C[6]N[6]C)	107.2640	0.141	2	107.2640	0.020	2	107.3430	0.270	10	106.7313	1.024	58	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]H)(CCCH)(H)	C(C[6]C[6]N[6]H)(CH3)2(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(C[6]C[6]N[6]H)(CH3)2(H)	H(C[6]C[6]N[6]C)	107.6140	0.000	1	107.6140	0.000	1	107.3430	0.270	10	106.7313	1.024	58	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]S)(CCCH)(H)	C(C[6]C[6]N[6]H)(CH3)2(H)	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(C[6]C[6]N[6]H)(CH3)2(H)	H(C[6]C[6]N[6]C)	108.0850	0.000	1	108.0850	0.000	1	107.3430	0.270	10	106.7313	1.024	58	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:4:1:	4:	P[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](P[6]C[6a]O[6]O)(N[6]C[6]H)(CCCH)(H)	C(C[6]N[6]P[6]H)(CH3)2(H)	H(C[6]N[6]P[6]C)	C[6](P[6]C[6a]O[6]O)(N[6]C[6]H)(CCCH)(H){1|C<4>,1|O<1>,2|C<3>}	C(C[6]N[6]P[6]H)(CH3)2(H)	H(C[6]N[6]P[6]C)	106.5160	0.000	1	106.5160	0.000	1	106.5160	0.000	1	106.7313	1.024	58	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:4:2:	4:	C[5,6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-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[6,6]H)(CCCO)(H)	C(C[6]C[5,6,6]C[6]H)(CH3)2(OC)	H(C[6]C[5,6,6]C[6]C)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]H)(CCCO)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C(C[6]C[5,6,6]C[6]H)(CH3)2(OC)	H(C[6]C[5,6,6]C[6]C)	103.9663	1.124	3	103.9663	1.264	3	103.9663	1.264	3	105.6311	2.067	11	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:4:2:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:O-2:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CCCO)(H)	C(C[6]C[5,6]C[6]H)(CH3)2(OC)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CCCO)(H){1|H<1>,1|O<2>,5|C<4>}	C(C[6]C[5,6]C[6]H)(CH3)2(OC)	H(C[6]C[5,6]C[6]C)	106.1075	0.063	2	106.1075	0.004	2	106.1075	0.004	2	105.6311	2.067	11	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[5]CO)(H)	C(C[5]C[5]2Fe)(C[6]C[6]2H)(CH3)(OH)	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(C[5]C[5]2Fe)(C[6]C[6]2H)(CH3)(OH)	H(C[6]C[6]2C)	105.3900	0.000	1	105.3900	0.000	1	105.3900	0.000	1	105.6311	2.067	11	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]Br)(CC3)(H)	C(C[6]C[6]2H)(CH3)2(CN)	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(C[6]C[6]2H)(CH3)2(CN)	H(C[6]C[6]2C)	107.1220	0.000	2	107.1220	0.000	2	107.1220	0.000	2	105.6311	2.067	11	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(CCCO)(H)	C(C[6]C[6]2H)(CH3)2(OH)	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(C[6]C[6]2H)(CH3)2(OH)	H(C[6]C[6]2C)	106.6010	0.000	1	106.6010	0.000	1	106.6010	0.000	1	105.6311	2.067	11	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:4:2:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[5]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[5]CO)(H)	C(C[5]C[5,6]C[5]H)(C[6]C[6]N[6]H)(CH3)(OH)	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(C[5]C[5,6]C[5]H)(C[6]C[6]N[6]H)(CH3)(OH)	H(C[6]C[6]N[6]C)	104.4050	0.000	1	104.4050	0.000	1	105.7965	3.873	2	105.6311	2.067	11	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:4:2:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[5]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC[5]CO)(H)	C(C[5]C[5,6]C[5]H)(C[6]C[6]N[6]H)(CH3)(OH)	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(C[5]C[5,6]C[5]H)(C[6]C[6]N[6]H)(CH3)(OH)	H(C[6]C[6]N[6]C)	107.1880	0.000	1	107.1880	0.000	1	105.7965	3.873	2	105.6311	2.067	11	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:4:3:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC3)(H)	C(C[6]C[6]2H)(CH3)2(COO)	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(C[6]C[6]2H)(CH3)2(COO)	H(C[6]C[6]2C)	107.5960	0.000	1	107.5960	0.000	1	107.3375	0.134	2	106.9895	0.362	4	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:4:3:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-3:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]W)(CC3)(H)	C(C[6]C[6]2H)(CH3)2(COO)	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(C[6]C[6]2H)(CH3)2(COO)	H(C[6]C[6]2C)	107.0790	0.000	1	107.0790	0.000	1	107.3375	0.134	2	106.9895	0.362	4	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:4:3:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:N-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCN)(H)	C(C[6]C[6]2H)(CH3)2(NCH)	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(C[6]C[6]2H)(CH3)2(NCH)	H(C[6]C[6]2C)	106.6415	0.684	2	106.6415	0.468	2	106.6415	0.468	2	106.9895	0.362	4	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:4:4:	4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]C)(CC3)(H)	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	H(C[6]C[3,6]C[6]C)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]C)(CC3)(H){2|Cl<1>,1|H<1>,2|C<4>}	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	H(C[6]C[3,6]C[6]C)	107.1040	0.000	1	107.1040	0.000	1	105.9801	1.243	21	106.0463	1.354	38	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:4:4:	4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	H(C[6]C[3,6]C[6]C)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	H(C[6]C[3,6]C[6]C)	105.5440	0.000	1	106.0728	0.816	14	105.9801	1.243	21	106.0463	1.354	38	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:4:4:	4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	H(C[6]C[3,6]C[6]C)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){2|Br<1>,1|C<3>,2|H<1>,3|C<4>}	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	H(C[6]C[3,6]C[6]C)	106.6460	0.000	1	106.0728	0.816	14	105.9801	1.243	21	106.0463	1.354	38	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:4:4:	4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	H(C[6]C[3,6]C[6]C)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){2|Br<1>,2|H<1>,4|C<4>}	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	H(C[6]C[3,6]C[6]C)	106.2350	0.522	3	106.0728	0.816	14	105.9801	1.243	21	106.0463	1.354	38	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:4:4:	4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	H(C[6]C[3,6]C[6]C)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){2|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	H(C[6]C[3,6]C[6]C)	106.4398	0.306	4	106.0728	0.816	14	105.9801	1.243	21	106.0463	1.354	38	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:4:4:	4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	H(C[6]C[3,6]C[6]C)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){2|Cl<1>,2|H<1>,4|C<4>}	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	H(C[6]C[3,6]C[6]C)	105.6730	1.393	5	106.0728	0.816	14	105.9801	1.243	21	106.0463	1.354	38	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:4:4:	4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(CC3)(H)	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	H(C[6]C[3,6]C[6]C)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(CC3)(H){2|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	H(C[6]C[3,6]C[6]C)	106.2687	0.212	4	105.5070	2.935	5	105.9801	1.243	21	106.0463	1.354	38	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:4:4:	4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(CC3)(H)	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	H(C[6]C[3,6]C[6]C)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(CC3)(H){2|Cl<1>,3|H<1>,4|C<4>}	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	H(C[6]C[3,6]C[6]C)	102.4600	0.000	1	105.5070	2.935	5	105.9801	1.243	21	106.0463	1.354	38	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:4:4:	4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]O[6]O)(CC3)(H)	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	H(C[6]C[3,6]C[6]C)	C[6](C[3,6]C[3]2C[6])(C[6]O[6]O)(CC3)(H){3|C<4>,4|H<1>}	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	H(C[6]C[3,6]C[6]C)	105.9250	0.000	1	105.9250	0.000	1	105.9801	1.243	21	106.0463	1.354	38	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5]CC)(H)	C(C[5]C[5,6a]C[5]H)(C[6]C[6]2H)(CH3)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(C[5]C[5,6a]C[5]H)(C[6]C[6]2H)(CH3)2	H(C[6]C[6]2C)	105.3825	0.062	2	105.3825	0.004	2	105.3825	0.004	2	106.0463	1.354	38	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]H)(CC3)(H)	C(C[6]C[6]2H)(CH3)3	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(C[6]C[6]2H)(CH3)3	H(C[6]C[6]2C)	106.6037	1.506	3	106.6037	2.267	3	106.1239	1.655	14	106.0463	1.354	38	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[5a,6]H)(CC3)(H)	C(C[6]C[6]2H)(CH3)3	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(C[6]C[6]2H)(CH3)3	H(C[6]C[6]2C)	107.9850	0.000	1	107.9850	0.000	1	106.1239	1.655	14	106.0463	1.354	38	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC3)(H)	C(C[6]C[6]2H)(CH3)3	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(C[6]C[6]2H)(CH3)3	H(C[6]C[6]2C)	106.3100	0.000	1	106.3100	0.000	1	106.1239	1.655	14	106.0463	1.354	38	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CC3)(H)	C(C[6]C[6]2H)(CH3)3	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(C[6]C[6]2H)(CH3)3	H(C[6]C[6]2C)	105.4290	0.000	1	105.4290	0.000	1	106.1239	1.655	14	106.0463	1.354	38	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC3)(H)	C(C[6]C[6]2H)(CH3)3	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(C[6]C[6]2H)(CH3)3	H(C[6]C[6]2C)	105.2895	0.361	2	105.2895	0.131	2	106.1239	1.655	14	106.0463	1.354	38	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]O)(CC3)(H)	C(C[6]C[6]2H)(CH3)3	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(C[6]C[6]2H)(CH3)3	H(C[6]C[6]2C)	107.7920	0.000	1	107.7920	0.000	1	106.1239	1.655	14	106.0463	1.354	38	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC3)(H)	C(C[6]C[6]2H)(CC[6a]HS)(CH3)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(C[6]C[6]2H)(CC[6a]HS)(CH3)2	H(C[6]C[6]2C)	106.2245	0.730	2	106.2245	0.534	2	106.1239	1.655	14	106.0463	1.354	38	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC3)(H)	C(C[6]C[6]2H)(CH3)3	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(C[6]C[6]2H)(CH3)3	H(C[6]C[6]2C)	106.5730	0.000	1	106.5730	0.000	1	106.1239	1.655	14	106.0463	1.354	38	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]PdC)(C[6]C[6]H)(CC3)(H)	C(C[6]C[6]2H)(CCHH)(CH3)2	H(C[6]C[6]2C)	C[6](C[6]C[6]PdC)(C[6]C[6]H)(CC3)(H){1|H<1>,2|C<4>}	C(C[6]C[6]2H)(CCHH)(CH3)2	H(C[6]C[6]2C)	105.2160	0.000	1	105.2160	0.000	1	106.1239	1.655	14	106.0463	1.354	38	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]H)(CC3)(H)	C(C[6]C[6]2H)(CCHH)(CH3)2	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(C[6]C[6]2H)(CCHH)(CH3)2	H(C[6]C[6]2C)	103.5900	0.000	1	103.5900	0.000	1	106.1239	1.655	14	106.0463	1.354	38	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:3:4:1:	4:4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC3)(H)	C(C[6]C[6]N[6]H)(CH3)3	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(C[6]C[6]N[6]H)(CH3)3	H(C[6]C[6]N[6]C)	107.6790	0.000	1	107.6790	0.000	1	107.6790	0.000	1	106.0463	1.354	38	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C-4:O[6]-2:H-1:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(CC[5a]HH)(O[6]C[6])(H)	C(C[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	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(C[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	H(C[6]C[6]O[6]C)	109.2015	0.400	2	109.2015	0.160	2	109.2015	0.160	2	109.2329	4.122	14	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C-4:O[6]-2:H-1:	N[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(CN[5a]HH)(O[6]C[6])(H)	C(N[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	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(N[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	H(C[6]C[6]O[6]C)	109.7272	0.306	6	109.7272	0.093	6	109.2382	4.857	12	109.2329	4.122	14	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C-4:O[6]-2:H-1:	N[5a]-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(N[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(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(N[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	H(C[6]C[6]O[6]C)	111.4245	4.778	2	111.4245	22.829	2	109.2382	4.857	12	109.2329	4.122	14	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C-4:O[6]-2:H-1:	N[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(CN[5a]HH)(O[6]C[6])(H)	C(N[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(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(N[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	H(C[6]C[6]O[6]C)	108.1240	0.000	1	108.1240	0.000	1	109.2382	4.857	12	109.2329	4.122	14	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C-4:O[6]-2:H-1:	N[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(CN[5a]HH)(O[6]C[6])(H)	C(N[5a]C[5a,6a]C[5a])(C[6]C[6]O[6]H)(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(N[5a]C[5a,6a]C[5a])(C[6]C[6]O[6]H)(H)2	H(C[6]C[6]O[6]C)	107.1740	1.598	3	107.1740	2.554	3	109.2382	4.857	12	109.2329	4.122	14	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(CC[6a]HH)(O[6]C[6])(H)	C(C[6]C[5,6]O[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]C[5]H)(CC[6a]HH)(O[6]C[6])(H){1|N<3>,2|C<4>,5|H<1>}	C(C[6]C[5,6]O[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[5,6]O[6]C)	109.1110	0.000	1	109.1110	0.000	1	109.1110	0.000	1	108.8089	1.680	7	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(CC[6a]HH)(O[6]C[6])(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(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(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]O[6]C)	108.9485	0.043	2	108.9485	0.002	2	108.5554	2.184	5	108.8089	1.680	7	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(CC[6a]HH)(O[6]C[6])(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)2	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(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]O[6]C)	110.5270	0.000	1	109.1545	3.768	2	108.5554	2.184	5	108.8089	1.680	7	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(CC[6a]HH)(O[6]C[6])(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)2	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(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]O[6]C)	107.7820	0.000	1	109.1545	3.768	2	108.5554	2.184	5	108.8089	1.680	7	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(CC[6a]HH)(O[6]C[6])(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(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(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]O[6]C)	106.5710	0.000	1	106.5710	0.000	1	108.5554	2.184	5	108.8089	1.680	7	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:N[6a]-3:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(CN[6a]HH)(O[6]C[6])(H)	C(C[6]C[6]O[6]H)(N[6a]C[6a]2)(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(C[6]C[6]O[6]H)(N[6a]C[6a]2)(H)2	H(C[6]C[6]O[6]C)	109.7740	0.000	1	109.7740	0.000	1	109.7740	0.000	1	108.8089	1.680	7	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:N-2:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(CC[6a]HN)(O[6]C[6])(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(NN)(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(C[6]C[6]O[6]H)(C[6a]C[6a]2)(NN)(H)	H(C[6]C[6]O[6]C)	108.1010	0.000	1	108.1010	0.000	1	108.1010	0.000	1	108.2550	0.106	3	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(CC[6a]HO)(O[6]C[6])(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(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(C[6]C[6]O[6]H)(C[6a]C[6a]2)(OH)(H)	H(C[6]C[6]O[6]C)	108.6290	0.000	1	108.6290	0.000	1	108.6290	0.000	1	108.2550	0.106	3	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:S-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(CC[6a]HS)(O[6]C[6])(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(SC[6a])(H)	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(C[6]C[6]O[6]H)(C[6a]C[6a]2)(SC[6a])(H)	H(C[6]C[6]O[6]C)	108.0350	0.000	1	108.0350	0.000	1	108.0350	0.000	1	108.2550	0.106	3	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:2:1:	4:3:3:1:	4:	C[5,6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(CC[6a]2H)(O[6]C[6])(H)	C(C[6]C[5,6]O[6]H)(C[6a]C[6a]2)2(H)	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]C[5]H)(CC[6a]2H)(O[6]C[6])(H){1|N<3>,2|C<4>,5|H<1>}	C(C[6]C[5,6]O[6]H)(C[6a]C[6a]2)2(H)	H(C[6]C[5,6]O[6]C)	108.7450	0.000	1	108.7450	0.000	1	108.7450	0.000	1	109.1130	0.271	2	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:2:1:	4:3:3:1:	4:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(CC[6a]HN)(O[6]C[6])(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(NCS)(H)	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(C[6]C[6]O[6]H)(C[6a]C[6a]2)(NCS)(H)	H(C[6]C[6]O[6]C)	109.4810	0.000	1	109.4810	0.000	1	109.4810	0.000	1	109.1130	0.271	2	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:2:1:	4:3:3:2:	4:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C-3:O-2:	C[6]-4:	C[6](C[6]C[6,6a]HH)(CC[6a]CO)(O[6]C[6])(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCH)(OSi)	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(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCH)(OSi)	H(C[6]C[6]O[6]C)	108.3870	0.000	1	108.3870	0.000	1	108.3870	0.000	1	109.2575	1.516	2	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:2:1:	4:3:3:2:	4:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C[6]-4:	C[6](C[6]O[6]HH)(CC[6a]2O)(O[6]C[6])(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)2(OH)	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(C[6]C[6]O[6]H)(C[6a]C[6a]2)2(OH)	H(C[6]C[6]O[6]C)	110.1280	0.000	1	110.1280	0.000	1	110.1280	0.000	1	109.2575	1.516	2	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:2:1:	4:3:4:1:	4:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(CC[6a]CH)(O[6]C[6])(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CH3)(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(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CH3)(H)	H(C[6]C[6]O[6]C)	107.1060	0.000	1	107.1060	0.000	1	107.1060	0.000	1	107.1060	0.000	1	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:2:1:	4:3:4:2:	4:	C[3x6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C-4:O-2:	C[6]-4:	C[6](C[3x6]C[4,6,6]C[3x6]C)(CC[6a]CO)(O[6]C[6])(H)	C(C[6]C[3x6]O[6]H)(C[6a]C[6a]2)(CHHI)(OC)	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(C[6]C[3x6]O[6]H)(C[6a]C[6a]2)(CHHI)(OC)	H(C[6]C[3x6]O[6]C)	106.9390	0.000	1	106.9390	0.000	1	106.9390	0.000	1	108.7092	4.485	4	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:2:1:	4:3:4:2:	4:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]HH)(CC[6a]CO)(O[6]C[6])(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CH3)(OH)	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(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CH3)(OH)	H(C[6]C[6]O[6]C)	108.0760	0.546	2	108.0760	0.298	2	109.2993	4.639	3	108.7092	4.485	4	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:2:1:	4:3:4:2:	4:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C-4:O-2:	C[6]-4:	C[6](C[6]O[6]HH)(CC[6a]CO)(O[6]C[6])(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CH3)(OH)	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(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CH3)(OH)	H(C[6]C[6]O[6]C)	111.7460	0.000	1	111.7460	0.000	1	109.2993	4.639	3	108.7092	4.485	4	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C-4:O[6]-2:H-1:	C[3,5]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(CC[3,5]CH)(O[6]C[6])(H)	C(C[3,5]C[3,5]C[5,6]O[3])(C[6]C[6]O[6]H)(CH3)(H)	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(C[3,5]C[3,5]C[5,6]O[3])(C[6]C[6]O[6]H)(CH3)(H)	H(C[6]C[6]O[6]C)	108.4910	0.000	1	108.4910	0.000	1	108.4910	0.000	1	108.4910	0.000	1	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:3:1:	3:3:4:1:	4:	C-4:C[6]-4:C[6]-3:H-1:	C[5a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](CC[5a]C[6a]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6]C[6]2H)(H)	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(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6]C[6]2H)(H)	H(C[6]C[6]2C)	108.5170	0.000	1	108.5170	0.000	1	108.5170	0.000	1	108.5170	0.000	1	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:3:1:	3:3:4:4:	4:	C[6]-4:C-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:Si-4:	C[6]-4:	C[6](C[6]C[6]FeH)(CC[6a]2Si)(C[6]C[6]H)(H)	C(C[6a]C[6a]2)2(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2C)	C[6](C[6]C[6]FeH)(CC[6a]2Si)(C[6]C[6]H)(H){1|H<1>,2|C<4>}	C(C[6a]C[6a]2)2(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2C)	105.1140	0.000	1	105.1140	0.000	1	105.1140	0.000	1	105.1140	0.000	1	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:3:1:	3:4:3:1:	4:	C-4:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](CC[6a]N[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(N[6]C[6]2)(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(C[6a]C[6a]2)(C[6]C[6]2H)(N[6]C[6]2)(H)	H(C[6]C[6]2C)	110.3680	0.000	1	110.3680	0.000	1	110.3680	0.000	1	110.3680	0.000	1	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:3:1:	3:4:4:1:	4:	C-4:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[5]-4:C[6]-4:H-1:	C[6]-4:	C[6](CC[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(C[6]C[6]2H)(H)	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(C[6a]C[6a]2)(C[5]C[5]2H)(C[6]C[6]2H)(H)	H(C[6]C[6]2C)	108.3320	0.000	1	108.3320	0.000	1	108.3320	0.000	1	107.3415	1.962	2	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:3:1:	3:4:4:1:	4:	C-4:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](CC[6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(C[6]S[6]2H)(H)	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(C[6a]C[6a]2)(C[6]C[6]2H)(C[6]S[6]2H)(H)	H(C[6]C[6]2C)	106.3510	0.000	1	106.3510	0.000	1	106.3510	0.000	1	107.3415	1.962	2	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(CC[5,6]HO)(C[6]C[6]C)(H)	C(C[5,6]C[5,6]C[5]O[6])(C[6]C[6]2H)(OH)(H)	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(C[5,6]C[5,6]C[5]O[6])(C[6]C[6]2H)(OH)(H)	H(C[6]C[6]2C)	105.2210	0.000	1	105.2210	0.000	1	105.2210	0.000	1	105.2210	0.000	1	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	3:3:3:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]3)(H)	C(C[6a]C[6a]2)3(C[6]C[6]2H)	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(C[6a]C[6a]2)3(C[6]C[6]2H)	H(C[6]C[6]2C)	107.6770	0.000	1	107.6770	0.000	1	107.3277	0.123	4	107.3277	0.123	4	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	3:3:3:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)2(CC[6a]3)(H)	C(C[6a]C[6a]2)3(C[6]C[6]2H)	H(C[6]C[6]2C)	C[6](C[6]O[6]HH)2(CC[6a]3)(H){1|C<4>}	C(C[6a]C[6a]2)3(C[6]C[6]2H)	H(C[6]C[6]2C)	107.2113	0.321	3	107.2113	0.103	3	107.3277	0.123	4	107.3277	0.123	4	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	3:3:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[6a]2O)(H)	C(C[6a]C[6a]2)2(C[6]C[6]2H)(OH)	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(C[6a]C[6a]2)2(C[6]C[6]2H)(OH)	H(C[6]C[6]2C)	107.6370	0.000	1	107.6370	0.000	1	107.6370	0.000	1	107.6370	0.000	1	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5a]-3: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(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(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(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	106.9640	0.000	1	106.9640	0.000	1	107.4040	0.387	2	107.5703	2.082	41	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[5a]HH)(H)	C(C[5a]C[5a]N[5a])(C[6]C[6]2H)(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(C[5a]C[5a]N[5a])(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	107.8440	0.000	1	107.8440	0.000	1	107.4040	0.387	2	107.5703	2.082	41	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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(CC[6]HH)(H)	C(C[6]C[5x3,5x5,21x6]C[4,6])(C[6]C[6]2H)(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(C[6]C[5x3,5x5,21x6]C[4,6])(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	107.6080	0.000	1	107.6080	0.000	1	107.6080	0.000	1	107.5703	2.082	41	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	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(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	106.5187	0.066	3	106.5187	0.004	3	107.4224	2.698	29	107.5703	2.082	41	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3: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(C[6a]C[6a]2)(C[6]C[6]2H)(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(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	113.5910	0.000	1	113.5910	0.000	1	107.4224	2.698	29	107.5703	2.082	41	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-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(C[6a]C[6a]2)(C[6]C[6]2H)(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(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	108.4600	0.000	1	108.4600	0.000	1	107.4224	2.698	29	107.5703	2.082	41	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3: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(C[6a]C[6a]2)(C[6]C[6]2H)(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(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	107.9430	0.000	1	107.9430	0.000	1	107.4224	2.698	29	107.5703	2.082	41	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CC[6a]HH)(H)	C(C[6a]C[6,6a]C[6a])(C[6]C[6]2H)(H)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(C[6a]C[6,6a]C[6a])(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	105.6180	0.000	1	105.6180	0.000	1	107.4224	2.698	29	107.5703	2.082	41	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3: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(C[6a]C[5a,6a]C[6a])(C[6]C[6]2H)(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(C[6a]C[5a,6a]C[6a])(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	105.4880	0.000	1	105.4880	0.000	1	107.4224	2.698	29	107.5703	2.082	41	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3: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(C[6a]C[6a]N[6a])(C[6]C[6]2H)(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(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	106.2045	0.163	2	106.2217	0.014	3	107.4224	2.698	29	107.5703	2.082	41	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3: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(C[6a]C[6a]N[6a])(C[6]C[6]2H)(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(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	106.2560	0.000	1	106.2217	0.014	3	107.4224	2.698	29	107.5703	2.082	41	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	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(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	106.6608	0.491	5	106.6608	0.241	5	107.4224	2.698	29	107.5703	2.082	41	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3: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(C[6a]C[6a]2)(C[6]C[6]2H)(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(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	107.3095	0.144	2	107.3095	0.021	2	107.4224	2.698	29	107.5703	2.082	41	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3: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(C[6a]C[6a]2)(C[6]C[6]2H)(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(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	111.0720	0.000	1	111.0720	0.000	1	107.4224	2.698	29	107.5703	2.082	41	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(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(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	107.4790	0.000	1	108.1822	0.412	5	107.4224	2.698	29	107.5703	2.082	41	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(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(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	107.6160	0.000	1	108.1822	0.412	5	107.4224	2.698	29	107.5703	2.082	41	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(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(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	108.6960	0.496	2	108.1822	0.412	5	107.4224	2.698	29	107.5703	2.082	41	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(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(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	108.4240	0.000	1	108.1822	0.412	5	107.4224	2.698	29	107.5703	2.082	41	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(C[6]C[6]2H)(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(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	107.5210	0.000	1	107.5210	0.000	1	107.4224	2.698	29	107.5703	2.082	41	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[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(C[6a]C[6a]2)(C[6]C[6]2H)(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(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	107.5000	0.000	1	107.5000	0.000	1	107.4224	2.698	29	107.5703	2.082	41	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]O[6]CH)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	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(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	107.0003	0.110	3	107.0003	0.012	3	107.4224	2.698	29	107.5703	2.082	41	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[5]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CN[5]HH)(H)	C(N[5]C[5,6]C[5])(C[6]C[6]2H)(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(N[5]C[5,6]C[5])(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	107.9210	0.000	1	107.9210	0.000	1	107.7508	1.004	4	107.5703	2.082	41	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[5]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CN[5]HH)(H)	C(N[5]C[5,6a]C[5])(C[6]C[6]2H)(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(N[5]C[5,6a]C[5])(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	107.6940	1.220	3	107.6940	1.487	3	107.7508	1.004	4	107.5703	2.082	41	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CN[5a]HH)(H)	C(N[5a]C[5a]N[5a])(C[6]C[6]2H)(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(N[5a]C[5a]N[5a])(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	108.0120	0.235	2	108.0120	0.055	2	108.1013	0.051	3	107.5703	2.082	41	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CN[5a]HH)(H)	C(N[5a]N[5a]2)(C[6]C[6]2H)(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(N[5a]N[5a]2)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	108.2800	0.000	1	108.2800	0.000	1	108.1013	0.051	3	107.5703	2.082	41	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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)(CN[6]HH)(H)	C(N[6]C[6,6a]2)(C[6]C[6]2H)(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(N[6]C[6,6a]2)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	108.7250	0.000	1	108.7250	0.000	1	108.7050	0.001	2	107.5703	2.082	41	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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)2(CN[6]HH)(H)	C(N[6]C[6,6a]B[6,6])(C[6]C[6]2H)(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(N[6]C[6,6a]B[6,6])(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	108.6850	0.000	1	108.6850	0.000	1	108.7050	0.001	2	107.5703	2.082	41	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	3:4:2:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5a]-3:C[6]-4:C-2:H-1:	C[6]-4:	C[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)(CC[5a]CH)(H)	C(C[5a]C[5a,6a]C[5a])(C[6]C[5,6]C[6]H)(CC)(H)	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(C[5a]C[5a,6a]C[5a])(C[6]C[5,6]C[6]H)(CC)(H)	H(C[6]C[5,6]C[6]C)	108.2430	0.000	1	108.2430	0.000	1	108.2430	0.000	1	106.9621	2.853	25	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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:C-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HO)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CC)(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(C[6a]C[6a]2)(C[6]C[6]2H)(CC)(H)	H(C[6]C[6]2C)	108.0970	0.000	1	108.0970	0.000	1	108.0970	0.000	1	106.9621	2.853	25	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	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(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	H(C[6]C[6]2C)	105.6555	0.060	2	105.6555	0.004	2	106.0426	2.003	16	106.9621	2.853	25	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OC)(H)	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(C[6a]C[6a]2)(C[6]C[6]2H)(OC)(H)	H(C[6]C[6]2C)	104.8117	0.976	3	104.8117	0.952	3	106.0426	2.003	16	106.9621	2.853	25	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	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(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	H(C[6]C[6]2C)	105.0050	1.010	2	105.0050	1.020	2	106.0426	2.003	16	106.9621	2.853	25	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OC)(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(C[6a]C[6a]2)(C[6]C[6]2H)(OC)(H)	H(C[6]C[6]2C)	106.3735	1.791	2	106.3735	3.208	2	106.0426	2.003	16	106.9621	2.853	25	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(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(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	H(C[6]C[6]2C)	107.5790	0.221	2	107.2520	1.204	6	106.0426	2.003	16	106.9621	2.853	25	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(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(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	H(C[6]C[6]2C)	108.9720	0.000	1	107.2520	1.204	6	106.0426	2.003	16	106.9621	2.853	25	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(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|H<1>,4|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	H(C[6]C[6]2C)	105.6770	0.000	1	107.2520	1.204	6	106.0426	2.003	16	106.9621	2.853	25	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(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(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	H(C[6]C[6]2C)	106.8525	0.036	2	107.2520	1.204	6	106.0426	2.003	16	106.9621	2.853	25	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(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(C[6a]C[6a]2)(C[6]C[6]2H)(OSi)(H)	H(C[6]C[6]2C)	104.6660	0.000	1	104.6660	0.000	1	106.0426	2.003	16	106.9621	2.853	25	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CC[6a]HO)(H)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(OH)(H)	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(C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(OH)(H)	H(C[6]C[6]N[6]C)	108.7189	0.246	7	108.7189	0.060	7	108.7189	0.060	7	106.9621	2.853	25	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[5]HN)(H)	C(C[5]N[5]O[5])(C[6]C[6]2H)(NCH)(H)	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(C[5]N[5]O[5])(C[6]C[6]2H)(NCH)(H)	H(C[6]C[6]2C)	108.7150	0.000	1	108.7150	0.000	1	108.7150	0.000	1	107.5242	1.362	8	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CNO)(H)	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(C[6a]C[6a]2)(C[6]C[6]2H)(CNO)(H)	H(C[6]C[6]2C)	108.0980	0.000	1	108.0980	0.000	1	108.2122	0.040	4	107.5242	1.362	8	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CN[5]O)(H)	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(C[6a]C[6a]2)(C[6]C[6]2H)(CN[5]O)(H)	H(C[6]C[6]2C)	108.2503	0.225	3	108.2503	0.051	3	108.2122	0.040	4	107.5242	1.362	8	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HN)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(NHS)(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(C[6a]C[6a]2)(C[6]C[6]2H)(NHS)(H)	H(C[6]C[6]2C)	106.9880	0.000	1	106.9880	0.000	1	106.2100	0.459	3	107.5242	1.362	8	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-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(C[6a]C[6a]2)(C[6]C[6]2H)(NHS)(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(C[6a]C[6a]2)(C[6]C[6]2H)(NHS)(H)	H(C[6]C[6]2C)	105.8210	0.105	2	105.8210	0.011	2	106.2100	0.459	3	107.5242	1.362	8	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	3:4:3:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C-3:C-2:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[6a]CC)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(COO)(CN)	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(C[6a]C[6a]2)(C[6]C[6]2H)(COO)(CN)	H(C[6]C[6]2C)	107.7210	0.000	1	107.9040	0.313	5	107.9040	0.313	5	107.9040	0.313	5	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	3:4:3:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C-3:C-2:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[6a]CC)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(COO)(CN)	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(C[6a]C[6a]2)(C[6]C[6]2H)(COO)(CN)	H(C[6]C[6]2C)	107.4165	0.269	2	107.9040	0.313	5	107.9040	0.313	5	107.9040	0.313	5	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	3:4:3:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C-3:C-2:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[6a]CC)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(COO)(CN)	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(C[6a]C[6a]2)(C[6]C[6]2H)(COO)(CN)	H(C[6]C[6]2C)	108.4830	0.042	2	107.9040	0.313	5	107.9040	0.313	5	107.9040	0.313	5	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	3:4:3:3:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[6a]CC)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CNO)(COO)	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(C[6a]C[6a]2)(C[6]C[6]2H)(CNO)(COO)	H(C[6]C[6]2C)	107.2010	0.000	1	107.2010	0.000	1	107.2010	0.000	1	107.2010	0.000	1	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(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(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	H(C[6]C[6]2C)	105.3795	0.108	4	105.3795	0.012	4	106.5132	1.081	10	106.5601	0.997	11	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(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(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	H(C[6]C[6]2C)	106.5870	0.000	1	106.5870	0.000	1	106.5132	1.081	10	106.5601	0.997	11	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)(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(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)(H)	H(C[6]C[6]2C)	107.1840	0.501	2	107.1840	0.251	2	106.5132	1.081	10	106.5601	0.997	11	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	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(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	H(C[6]C[6]2C)	107.8670	0.000	1	107.8670	0.000	1	106.5132	1.081	10	106.5601	0.997	11	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CHHN)(H)	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(C[6a]C[6a]2)(C[6]C[6]2H)(CHHN)(H)	H(C[6]C[6]2C)	107.4390	0.000	1	107.4390	0.000	1	106.5132	1.081	10	106.5601	0.997	11	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-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(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)(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(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)(H)	H(C[6]C[6]2C)	107.3530	0.000	1	107.3530	0.000	1	106.5132	1.081	10	106.5601	0.997	11	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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:S-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[6a]HS)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(SCOO)(H)	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(C[6a]C[6a]2)(C[6]C[6]2H)(SCOO)(H)	H(C[6]C[6]2C)	107.0290	0.000	1	107.0290	0.000	1	107.0290	0.000	1	106.5601	0.997	11	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-2:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[6a]CC)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(CN)	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(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(CN)	H(C[6]C[6]2C)	107.1440	0.000	1	107.1440	0.000	1	107.1440	0.000	1	107.3942	1.261	4	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:O-2:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[6a]CO)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(OH)	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(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(OH)	H(C[6]C[6]2C)	107.8080	0.000	1	107.8080	0.000	1	107.8080	0.000	1	107.3942	1.261	4	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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:S-4:C-2:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[6a]CS)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(SC[6a]OO)(CN)	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(C[6a]C[6a]2)(C[6]C[6]2H)(SC[6a]OO)(CN)	H(C[6]C[6]2C)	107.3125	1.880	2	107.3125	3.535	2	107.3125	3.535	2	107.3942	1.261	4	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CC)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)(CCH)	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(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)(CCH)	H(C[6]C[6]2C)	104.9410	0.000	1	104.9410	0.000	1	104.9410	0.000	1	104.9410	0.000	1	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CC[6a]CC)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)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(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	H(C[6]C[6]2C)	106.6800	0.000	1	106.6800	0.000	1	107.0292	1.306	20	107.0292	1.306	20	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CC)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)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(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	H(C[6]C[6]2C)	107.0476	1.171	19	107.0476	1.371	19	107.0292	1.306	20	107.0292	1.306	20	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3,5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[3,5,6]C[6]H)(H)3	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(C[6]C[3,5,6]C[6]H)(H)3	H(C[6]C[3,5,6]C[6]C)	106.0685	2.368	2	106.7894	1.498	7	106.8941	1.372	8	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3,5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[3,5,6]C[6]H)(H)3	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(C[6]C[3,5,6]C[6]H)(H)3	H(C[6]C[3,5,6]C[6]C)	107.0778	0.694	5	106.7894	1.498	7	106.8941	1.372	8	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3,5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[3,5,6]C[6]H)(H)3	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(C[6]C[3,5,6]C[6]H)(H)3	H(C[6]C[3,5,6]C[6]C)	107.6270	0.000	1	107.6270	0.000	1	106.8941	1.372	8	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,5,6]O[3]C)(C[3,6]C[3,6]O[3]H)(CH3)(H)	C(C[6]C[3,6]2H)(H)3	H(C[6]C[3,6]2C)	C[6](C[3,6]C[3,5,6]O[3]C)(C[3,6]C[3,6]O[3]H)(CH3)(H){1|H<1>,2|C<4>}	C(C[6]C[3,6]2H)(H)3	H(C[6]C[3,6]2C)	108.3480	0.000	1	108.3480	0.000	1	108.3480	0.000	1	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3,6]-4:C[5,6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]C[5]H)(CH3)(H)	C(C[6]C[3,6]C[5,6]H)(H)3	H(C[6]C[3,6]C[5,6]C)	C[6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]C[5]H)(CH3)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C(C[6]C[3,6]C[5,6]H)(H)3	H(C[6]C[3,6]C[5,6]C)	105.9940	0.000	1	105.9756	0.094	5	105.9756	0.094	5	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3,6]-4:C[5,6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]C[5]H)(CH3)(H)	C(C[6]C[3,6]C[5,6]H)(H)3	H(C[6]C[3,6]C[5,6]C)	C[6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]C[5]H)(CH3)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[3,6]C[5,6]H)(H)3	H(C[6]C[3,6]C[5,6]C)	105.9710	0.353	4	105.9756	0.094	5	105.9756	0.094	5	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[3,6]C[6]H)(H)3	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(C[6]C[3,6]C[6]H)(H)3	H(C[6]C[3,6]C[6]C)	108.2190	0.000	1	108.2190	0.000	1	107.8240	0.737	8	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1: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(C[6]C[3,6]C[6]H)(H)3	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(C[6]C[3,6]C[6]H)(H)3	H(C[6]C[3,6]C[6]C)	108.1950	0.000	1	108.1950	0.000	1	107.8240	0.737	8	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[3,6]C[6]H)(H)3	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(C[6]C[3,6]C[6]H)(H)3	H(C[6]C[3,6]C[6]C)	106.8590	0.000	1	106.8590	0.000	1	107.8240	0.737	8	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HO)(CH3)(H)	C(C[6]C[3,6]C[6]H)(H)3	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(C[6]C[3,6]C[6]H)(H)3	H(C[6]C[3,6]C[6]C)	108.9820	0.000	1	108.9820	0.000	1	107.8240	0.737	8	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1: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(C[6]C[3,6]C[6]H)(H)3	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(C[6]C[3,6]C[6]H)(H)3	H(C[6]C[3,6]C[6]C)	108.7680	0.000	1	108.7680	0.000	1	107.8240	0.737	8	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1: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(C[6]C[3,6]C[6]H)(H)3	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(C[6]C[3,6]C[6]H)(H)3	H(C[6]C[3,6]C[6]C)	107.1220	0.000	1	107.1220	0.000	1	107.8240	0.737	8	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(CH3)(H)	C(C[6]C[3,6]C[6]H)(H)3	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(C[6]C[3,6]C[6]H)(H)3	H(C[6]C[3,6]C[6]C)	107.7190	0.000	1	107.7190	0.000	1	107.8240	0.737	8	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(CH3)(H)	C(C[6]C[3,6]C[6]H)(H)3	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(C[6]C[3,6]C[6]H)(H)3	H(C[6]C[3,6]C[6]C)	106.7280	0.000	1	106.7280	0.000	1	107.8240	0.737	8	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3,6]-4:N[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]C)(N[6]C[6]CH)(CH3)(H)	C(C[6]C[3,6]N[6]H)(H)3	H(C[6]C[3,6]N[6]C)	C[6](C[3,6]C[3,6]O[3]C)(N[6]C[6]CH)(CH3)(H){1|H<1>,3|C<4>}	C(C[6]C[3,6]N[6]H)(H)3	H(C[6]C[3,6]N[6]C)	108.5310	0.000	1	108.5310	0.000	1	108.5310	0.000	1	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3x6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[3x6]C[6]H)(H)3	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(C[6]C[3x6]C[6]H)(H)3	H(C[6]C[3x6]C[6]C)	107.0270	0.000	1	107.0995	0.011	2	106.8738	0.683	4	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3x6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[3x6]C[6]H)(H)3	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(C[6]C[3x6]C[6]H)(H)3	H(C[6]C[3x6]C[6]C)	107.1720	0.000	1	107.0995	0.011	2	106.8738	0.683	4	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3x6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]O[6])(C[6]C[6]HO)(CH3)(H)	C(C[6]C[3x6]C[6]H)(H)3	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(C[6]C[3x6]C[6]H)(H)3	H(C[6]C[3x6]C[6]C)	105.6900	0.000	1	105.6900	0.000	1	106.8738	0.683	4	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3x6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[3x6]C[6]H)(H)3	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(C[6]C[3x6]C[6]H)(H)3	H(C[6]C[3x6]C[6]C)	107.6060	0.000	1	107.6060	0.000	1	106.8738	0.683	4	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[4,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[4,6]C[6]H)(H)3	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(C[6]C[4,6]C[6]H)(H)3	H(C[6]C[4,6]C[6]C)	106.3390	0.000	1	106.3390	0.000	1	106.3390	0.000	1	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[4x6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[4x6]C[6]H)(H)3	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(C[6]C[4x6]C[6]H)(H)3	H(C[6]C[4x6]C[6]C)	106.7870	0.000	1	107.1550	0.271	2	107.1852	0.075	5	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[4x6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[4x6]C[6]H)(H)3	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(C[6]C[4x6]C[6]H)(H)3	H(C[6]C[4x6]C[6]C)	107.5230	0.000	1	107.1550	0.271	2	107.1852	0.075	5	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[4x6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[4x6]C[6]H)(H)3	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(C[6]C[4x6]C[6]H)(H)3	H(C[6]C[4x6]C[6]C)	107.0760	0.000	1	107.2053	0.013	3	107.1852	0.075	5	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[4x6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[4x6]C[6]H)(H)3	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(C[6]C[4x6]C[6]H)(H)3	H(C[6]C[4x6]C[6]C)	107.2700	0.000	2	107.2053	0.013	3	107.1852	0.075	5	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[5,5,6,6]C[6]H)(H)3	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(C[6]C[5,5,6,6]C[6]H)(H)3	H(C[6]C[5,5,6,6]C[6]C)	108.0770	0.020	2	108.0770	0.000	2	108.0770	0.000	2	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5,6]-4:C[3,6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[3,6]C[3,6]O[3]H)(CH3)(H)	C(C[6]C[5,5,6]C[3,6]H)(H)3	H(C[6]C[5,5,6]C[3,6]C)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[3,6]C[3,6]O[3]H)(CH3)(H){1|C<3>,4|H<1>,5|C<4>}	C(C[6]C[5,5,6]C[3,6]H)(H)3	H(C[6]C[5,5,6]C[3,6]C)	106.8150	0.228	2	106.8150	0.052	2	106.8150	0.052	2	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[5,5,6]C[6]H)(H)3	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(C[6]C[5,5,6]C[6]H)(H)3	H(C[6]C[5,5,6]C[6]C)	106.4580	0.000	1	106.4580	0.000	1	106.8505	0.308	2	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[5,5,6]C[6]H)(H)3	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(C[6]C[5,5,6]C[6]H)(H)3	H(C[6]C[5,5,6]C[6]C)	107.2430	0.000	1	107.2430	0.000	1	106.8505	0.308	2	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]CH)(CH3)(H)	C(C[6]C[5,6,6]C[6]H)(H)3	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(C[6]C[5,6,6]C[6]H)(H)3	H(C[6]C[5,6,6]C[6]C)	108.4840	0.000	1	108.5475	0.008	2	106.9964	1.553	18	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]CH)(CH3)(H)	C(C[6]C[5,6,6]C[6]H)(H)3	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(C[6]C[5,6,6]C[6]H)(H)3	H(C[6]C[5,6,6]C[6]C)	108.6110	0.000	1	108.5475	0.008	2	106.9964	1.553	18	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[5,6,6]C[6]H)(H)3	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(C[6]C[5,6,6]C[6]H)(H)3	H(C[6]C[5,6,6]C[6]C)	106.9830	0.000	1	106.1310	1.452	2	106.9964	1.553	18	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[5,6,6]C[6]H)(H)3	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(C[6]C[5,6,6]C[6]H)(H)3	H(C[6]C[5,6,6]C[6]C)	105.2790	0.000	1	106.1310	1.452	2	106.9964	1.553	18	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[5,6,6]C[6]H)(H)3	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(C[6]C[5,6,6]C[6]H)(H)3	H(C[6]C[5,6,6]C[6]C)	107.8630	0.000	1	107.8630	0.000	1	106.9964	1.553	18	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1: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(C[6]C[5,6,6]C[6]H)(H)3	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(C[6]C[5,6,6]C[6]H)(H)3	H(C[6]C[5,6,6]C[6]C)	107.7390	0.000	1	107.7390	0.000	1	106.9964	1.553	18	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[5,6,6]C[6]H)(H)3	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(C[6]C[5,6,6]C[6]H)(H)3	H(C[6]C[5,6,6]C[6]C)	108.6130	0.000	1	108.6130	0.000	1	106.9964	1.553	18	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[5,6,6]C[6]H)(H)3	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(C[6]C[5,6,6]C[6]H)(H)3	H(C[6]C[5,6,6]C[6]C)	106.0140	0.757	3	105.8847	0.343	7	106.9964	1.553	18	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[5,6,6]C[6]H)(H)3	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(C[6]C[5,6,6]C[6]H)(H)3	H(C[6]C[5,6,6]C[6]C)	105.7878	0.525	4	105.8847	0.343	7	106.9964	1.553	18	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1: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(C[6]C[5,6,6]C[6]H)(H)3	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(C[6]C[5,6,6]C[6]H)(H)3	H(C[6]C[5,6,6]C[6]C)	106.8270	0.000	1	106.8270	0.000	1	106.9964	1.553	18	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[5,6,6]C[6]H)(H)3	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(C[6]C[5,6,6]C[6]H)(H)3	H(C[6]C[5,6,6]C[6]C)	108.1850	0.000	1	108.1147	0.112	3	106.9964	1.553	18	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[5,6,6]C[6]H)(H)3	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(C[6]C[5,6,6]C[6]H)(H)3	H(C[6]C[5,6,6]C[6]C)	108.0795	0.465	2	108.1147	0.112	3	106.9964	1.553	18	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:I-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(C[6]C[5,6,6]C[6]H)(H)2(I)	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(C[6]C[5,6,6]C[6]H)(H)2(I)	H(C[6]C[5,6,6]C[6]C)	105.1700	0.000	1	105.1700	0.000	1	105.1700	0.000	1	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]C)(C[5,6]C[5,5,6]C[5]H)(CH3)(H)	C(C[6]C[5,6]2H)(H)3	H(C[6]C[5,6]2C)	C[6](C[5,6]C[5,5,6]C[5]C)(C[5,6]C[5,5,6]C[5]H)(CH3)(H){1|O<1>,2|C<4>,3|H<1>,4|O<2>}	C(C[6]C[5,6]2H)(H)3	H(C[6]C[5,6]2C)	105.9995	0.346	2	105.9995	0.120	2	107.2430	1.910	10	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]O[5]H)(C[5,6]C[5]2C[6])(CH3)(H)	C(C[6]C[5,6]2H)(H)3	H(C[6]C[5,6]2C)	C[6](C[5,6]C[5,5,6]O[5]H)(C[5,6]C[5]2C[6])(CH3)(H){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	C(C[6]C[5,6]2H)(H)3	H(C[6]C[5,6]2C)	107.6610	0.000	1	107.6610	0.000	1	107.2430	1.910	10	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]C)(C[5,6]C[5,6]O[5]H)(CH3)(H)	C(C[6]C[5,6]2H)(H)3	H(C[6]C[5,6]2C)	C[6](C[5,6]C[5,6,6]O[5]C)(C[5,6]C[5,6]O[5]H)(CH3)(H){1|C<3>,3|C<4>,3|H<1>}	C(C[6]C[5,6]2H)(H)3	H(C[6]C[5,6]2C)	106.4247	0.142	4	106.4247	0.020	4	107.2430	1.910	10	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Ir)(C[5,6]C[5,6]O[5]H)(CH3)(H)	C(C[6]C[5,6]2H)(H)3	H(C[6]C[5,6]2C)	C[6](C[5,6]C[5,6]C[5]Ir)(C[5,6]C[5,6]O[5]H)(CH3)(H){1|O<2>,2|H<1>,4|C<4>}	C(C[6]C[5,6]2H)(H)3	H(C[6]C[5,6]2C)	108.7350	0.000	1	108.5290	0.085	2	107.2430	1.910	10	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Ir)(C[5,6]C[5,6]O[5]H)(CH3)(H)	C(C[6]C[5,6]2H)(H)3	H(C[6]C[5,6]2C)	C[6](C[5,6]C[5,6]C[5]Ir)(C[5,6]C[5,6]O[5]H)(CH3)(H){1|Si<4>,1|H<1>,1|O<2>,4|C<4>}	C(C[6]C[5,6]2H)(H)3	H(C[6]C[5,6]2C)	108.3230	0.000	1	108.5290	0.085	2	107.2430	1.910	10	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Ru)2(CH3)(H)	C(C[6]C[5,6]2H)(H)3	H(C[6]C[5,6]2C)	C[6](C[5,6]C[5,6]C[5]Ru)2(CH3)(H){7|C<4>}	C(C[6]C[5,6]2H)(H)3	H(C[6]C[5,6]2C)	110.0130	0.000	1	110.0130	0.000	1	107.2430	1.910	10	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6,6]-4:C-4:H-1:	C[6]-4:H-1:H-1: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(C[6]C[5,6]C[6,6]H)(H)3	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(C[6]C[5,6]C[6,6]H)(H)3	H(C[6]C[5,6]C[6,6]C)	108.4270	0.000	2	108.4270	0.000	2	108.3401	0.250	8	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6,6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[5,6]C[6,6]H)(H)3	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(C[6]C[5,6]C[6,6]H)(H)3	H(C[6]C[5,6]C[6,6]C)	109.4290	0.000	1	109.4290	0.000	1	108.3401	0.250	8	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6,6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[5,6]C[6,6]H)(H)3	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(C[6]C[5,6]C[6,6]H)(H)3	H(C[6]C[5,6]C[6,6]C)	108.0876	0.238	5	108.0876	0.057	5	108.3401	0.250	8	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:F-1:F-1:F-1:	C[6]-4:	C[6](C[5,6]C[6,6a]C[5]S[5])(C[6]C[6]HH)(CF3)(H)	C(C[6]C[5,6]C[6]H)(F)3	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(C[6]C[5,6]C[6]H)(F)3	H(C[6]C[5,6]C[6]C)	105.4360	0.000	1	105.4360	0.000	1	105.4360	0.000	1	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	106.7130	0.000	1	106.7130	0.000	1	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	107.5970	0.000	1	107.5970	0.000	1	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	107.1220	0.000	1	107.1220	0.000	1	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	105.4543	0.362	4	105.4543	0.131	4	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	106.7160	0.000	1	106.7160	0.000	1	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	108.1660	0.000	1	108.1660	0.000	1	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1: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(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	108.4060	0.000	1	108.4060	0.000	1	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	109.5730	0.000	1	109.5730	0.000	1	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	108.1470	0.569	2	108.1470	0.323	2	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	108.1850	0.000	1	108.1850	0.000	1	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	107.9540	0.000	1	107.9540	0.000	1	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1: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(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	107.3130	0.061	2	107.3130	0.004	2	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1: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(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	105.8780	0.218	2	105.8780	0.047	2	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1: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(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	108.6530	0.000	1	108.6530	0.000	1	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	105.3665	0.306	2	105.3665	0.094	2	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	109.0430	0.000	1	108.4120	0.796	2	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	107.7810	0.000	1	108.4120	0.796	2	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HO)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	108.9510	0.000	1	108.9510	0.000	1	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2Zr)(C[6]C[6]CH)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	107.0670	0.000	1	107.0670	0.000	1	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	107.3530	0.000	1	107.3530	0.000	1	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	106.5840	0.000	1	106.7828	0.486	12	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	106.5320	0.000	1	106.7828	0.486	12	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	106.7550	0.000	1	106.7828	0.486	12	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	104.9180	0.000	1	106.7828	0.486	12	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	107.3263	0.194	3	106.7828	0.486	12	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	106.4990	0.000	1	106.7828	0.486	12	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	107.3650	0.000	1	106.7828	0.486	12	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	107.3850	0.000	1	106.7828	0.486	12	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	106.6980	0.000	1	106.7828	0.486	12	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	106.6780	0.000	1	106.7828	0.486	12	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	108.3100	0.000	2	108.3100	0.000	2	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	107.6190	1.564	2	107.9090	1.476	3	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[5,6]C[6]H)(H)3	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<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	108.4890	0.000	1	107.9090	1.476	3	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1: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(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	107.3030	0.000	1	107.3030	0.000	1	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	108.7750	0.000	1	108.7750	0.000	1	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	107.8400	0.000	1	108.4118	0.290	11	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	107.9280	0.578	3	108.4118	0.290	11	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	108.9373	0.137	3	108.4118	0.290	11	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	108.5235	0.308	4	108.4118	0.290	11	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	107.3240	0.000	1	107.7935	0.441	2	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	108.2630	0.000	1	107.7935	0.441	2	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	107.9230	0.000	1	107.9230	0.000	1	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	106.5740	0.000	1	106.5740	0.000	1	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	106.3960	0.000	1	106.3960	0.000	1	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]CH)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	107.1930	0.000	1	107.1930	0.000	1	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	105.6840	1.459	2	105.6840	2.130	2	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	108.4005	0.081	2	108.4005	0.007	2	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	107.0150	0.000	1	107.0150	0.000	1	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1: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(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	108.8245	0.671	2	108.8245	0.450	2	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1: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(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	108.6810	0.000	1	108.6810	0.000	1	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	110.0330	0.000	1	110.0330	0.000	1	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	108.6010	0.000	1	108.6010	0.000	1	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	110.0610	0.000	1	108.1827	2.767	3	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	107.5910	0.000	1	108.1827	2.767	3	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	106.8960	0.000	1	108.1827	2.767	3	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	107.3229	0.250	19	107.3229	0.063	19	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]CH)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	105.5750	0.000	1	105.5750	0.000	1	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	107.1980	0.000	1	107.1980	0.000	1	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HO)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	105.9900	0.000	1	105.9900	0.000	1	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	107.0750	0.000	1	107.0750	0.000	1	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	107.0857	0.739	3	107.0382	0.389	5	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	107.4400	0.000	1	107.0382	0.389	5	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	106.4940	0.000	1	107.0382	0.389	5	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	105.6980	0.105	3	107.0853	0.915	11	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	107.6957	0.351	7	107.0853	0.915	11	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	106.9740	0.000	1	107.0853	0.915	11	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1: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(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	105.7390	0.000	1	105.7390	0.000	1	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	107.5570	0.231	2	107.5570	0.053	2	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HO)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	107.1132	0.572	4	107.1132	0.327	4	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	108.6130	0.000	1	108.4817	0.013	3	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	108.4160	0.000	2	108.4817	0.013	3	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1: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(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	108.0840	0.000	1	108.0840	0.000	1	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	108.9530	0.000	1	108.9530	0.000	1	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	107.4860	0.013	2	107.4860	0.000	2	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]O[6]CH)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	107.4910	0.000	1	107.4910	0.000	1	107.4275	1.094	130	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:I-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(C[6]C[5,6]C[6]H)(H)2(I)	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(C[6]C[5,6]C[6]H)(H)2(I)	H(C[6]C[5,6]C[6]C)	104.5525	0.322	2	104.5525	0.104	2	106.0966	3.452	8	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:I-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]CH)(CHHI)(H)	C(C[6]C[5,6]C[6]H)(H)2(I)	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(C[6]C[5,6]C[6]H)(H)2(I)	H(C[6]C[5,6]C[6]C)	104.6740	0.000	1	104.6740	0.000	1	106.0966	3.452	8	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:I-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(C[6]C[5,6]C[6]H)(H)2(I)	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(C[6]C[5,6]C[6]H)(H)2(I)	H(C[6]C[5,6]C[6]C)	106.2887	2.161	3	106.9988	3.299	5	106.0966	3.452	8	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:I-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(C[6]C[5,6]C[6]H)(H)2(I)	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(C[6]C[5,6]C[6]H)(H)2(I)	H(C[6]C[5,6]C[6]C)	108.0640	0.272	2	106.9988	3.299	5	106.0966	3.452	8	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:S[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(S[6]C[6]OO)(CH3)(H)	C(C[6]C[5,6]S[6]H)(H)3	H(C[6]C[5,6]S[6]C)	C[6](C[5,6]C[5,6]C[5]C)(S[6]C[6]OO)(CH3)(H){3|H<1>,5|C<4>}	C(C[6]C[5,6]S[6]H)(H)3	H(C[6]C[5,6]S[6]C)	106.6690	0.000	1	106.6690	0.000	1	106.9980	0.216	2	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:S[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(S[6]C[6]OO)(CH3)(H)	C(C[6]C[5,6]S[6]H)(H)3	H(C[6]C[5,6]S[6]C)	C[6](C[5,6]C[5,6]C[5]H)(S[6]C[6]OO)(CH3)(H){3|H<1>,5|C<4>}	C(C[6]C[5,6]S[6]H)(H)3	H(C[6]C[5,6]S[6]C)	107.3270	0.000	1	107.3270	0.000	1	106.9980	0.216	2	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[5,6]-4:C-4:H-1:	C[6]-4:H-1:H-1: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(C[6]C[5,6]C[6,6]H)(H)3	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(C[6]C[5,6]C[6,6]H)(H)3	H(C[6]C[5,6]C[6,6]C)	107.4398	0.138	4	107.4398	0.019	4	107.4398	0.019	4	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6,6]2H)(H)3	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(C[6]C[6,6]2H)(H)3	H(C[6]C[6,6]2C)	108.4490	0.000	1	108.4490	0.000	1	108.4490	0.000	1	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:F-1:F-1:F-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]S[6])(C[6]C[6]HH)(CF3)(H)	C(C[6]C[6,6]C[6]H)(F)3	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(C[6]C[6,6]C[6]H)(F)3	H(C[6]C[6,6]C[6]C)	106.7560	0.000	1	106.7560	0.000	1	106.7560	0.000	1	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	107.6070	0.000	1	107.6070	0.000	1	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	106.3610	0.000	1	106.3610	0.000	1	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	106.9100	0.000	1	106.9100	0.000	1	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	107.5180	0.000	1	106.8810	0.305	3	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	106.5940	0.000	1	106.8810	0.305	3	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	106.5310	0.000	1	106.8810	0.305	3	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	107.1710	0.000	1	107.5500	0.132	4	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	107.6763	0.320	3	107.5500	0.132	4	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	108.2950	0.262	2	108.0273	0.249	3	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	107.4920	0.000	1	108.0273	0.249	3	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	108.3920	0.000	1	108.3920	0.000	1	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	107.6370	0.000	1	107.6370	0.000	1	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HN)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	105.6260	0.000	1	105.6260	0.000	1	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HO)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	107.5430	0.000	1	106.6489	1.123	9	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HO)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	106.5371	1.075	8	106.6489	1.123	9	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	107.0770	0.000	1	107.0770	0.000	1	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HO)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	107.8170	0.000	1	107.8170	0.000	1	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	106.7050	0.000	1	106.7050	0.000	1	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	106.6220	0.000	1	106.6220	0.000	1	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	107.0035	0.595	2	106.8940	0.213	3	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	106.6750	0.000	1	106.8940	0.213	3	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	108.5675	0.456	2	106.9911	0.577	12	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	106.5005	0.035	2	106.9911	0.577	12	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	106.7790	0.000	1	106.9911	0.577	12	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	106.6370	0.000	1	106.9911	0.577	12	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	106.7235	0.133	6	106.9911	0.577	12	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	107.1100	0.000	2	107.1100	0.000	2	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	107.7670	0.000	1	107.7670	0.000	1	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	107.5930	0.847	2	107.5930	0.718	2	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	107.0460	0.000	1	107.0460	0.000	1	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	108.4770	0.000	1	108.4770	0.000	1	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	108.1510	0.000	1	108.1510	0.000	1	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	107.6610	0.000	1	107.6610	0.000	1	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	107.8550	0.204	3	107.8899	0.755	10	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	108.1962	0.376	4	107.8899	0.755	10	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	106.8980	0.000	1	107.8899	0.755	10	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	107.8255	2.217	2	107.8899	0.755	10	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	107.6020	0.000	1	107.6020	0.000	1	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	108.4430	0.000	1	108.4430	0.000	1	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2O)(C[6]C[6]CH)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	106.5620	0.000	1	106.5620	0.000	1	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	107.6275	0.122	2	107.6275	0.015	2	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	107.1520	0.000	1	106.8907	0.254	3	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	106.3100	0.000	1	106.8907	0.254	3	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	107.2100	0.000	1	106.8907	0.254	3	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	106.7925	0.008	2	107.0637	0.540	33	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	107.2060	0.000	1	107.0637	0.540	33	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	106.8930	0.006	2	107.0637	0.540	33	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	107.7390	0.000	2	107.0637	0.540	33	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	106.1420	0.000	1	107.0637	0.540	33	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	106.5105	0.319	2	107.0637	0.540	33	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	106.9490	0.000	1	107.0637	0.540	33	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	106.5117	0.290	3	107.0637	0.540	33	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	107.3980	0.000	1	107.0637	0.540	33	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	107.6050	0.000	1	107.0637	0.540	33	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	106.7946	0.238	9	107.0637	0.540	33	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	107.0405	0.001	2	107.0637	0.540	33	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	109.4580	0.000	2	107.0637	0.540	33	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	107.1580	0.000	1	107.0637	0.540	33	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	107.1990	0.000	1	107.0637	0.540	33	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	107.4170	0.000	1	107.0637	0.540	33	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	106.4740	0.000	1	107.0637	0.540	33	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	105.8620	0.000	1	106.3592	1.546	5	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	105.7300	0.000	1	106.3592	1.546	5	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	108.4400	0.000	1	106.3592	1.546	5	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	106.4960	0.000	1	106.3592	1.546	5	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	105.2680	0.000	1	106.3592	1.546	5	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	108.2320	0.000	1	108.2320	0.000	1	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	107.9410	0.119	2	107.9410	0.014	2	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	108.8135	0.023	2	108.2392	0.411	5	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	107.6475	0.530	2	108.2392	0.411	5	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	108.2740	0.000	1	108.2392	0.411	5	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	108.2660	0.000	1	107.2345	4.760	25	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	108.3240	0.000	1	107.2345	4.760	25	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	107.6710	0.000	1	107.2345	4.760	25	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	108.0107	0.308	3	107.2345	4.760	25	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	107.0040	0.000	1	107.2345	4.760	25	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	107.9060	0.000	1	107.2345	4.760	25	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	98.1663	0.000	1	107.2345	4.760	25	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	107.9550	0.000	1	107.2345	4.760	25	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	107.8540	0.000	1	107.2345	4.760	25	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	108.2125	0.883	2	107.2345	4.760	25	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	107.2790	0.000	2	107.2345	4.760	25	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	108.0430	0.000	1	107.2345	4.760	25	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	104.3460	0.000	1	107.2345	4.760	25	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	108.4360	0.000	1	107.2345	4.760	25	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	106.5973	1.107	4	107.2345	4.760	25	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	108.4957	1.214	3	107.2345	4.760	25	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	107.5993	0.874	3	107.1549	0.614	12	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	106.1773	0.384	3	107.1549	0.614	12	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	107.0663	0.119	3	107.1549	0.614	12	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	107.8800	0.000	1	107.1549	0.614	12	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	107.7250	0.498	2	107.1549	0.614	12	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]OO)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	106.2560	0.000	1	106.2560	0.000	1	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	109.6290	0.000	1	109.6290	0.000	1	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	108.2258	0.478	6	108.3014	0.421	10	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	108.4147	0.924	4	108.3014	0.421	10	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HO)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	108.4230	0.000	1	108.4230	0.000	1	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	106.2165	0.302	2	106.2165	0.091	2	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	106.8970	0.072	3	106.8970	0.005	3	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	107.5000	0.000	1	106.8433	1.640	11	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	107.5400	0.000	1	106.8433	1.640	11	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	107.6470	0.000	1	106.8433	1.640	11	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	109.2450	0.000	1	106.8433	1.640	11	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	106.7827	0.626	3	106.8433	1.640	11	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	107.1670	0.000	1	106.8433	1.640	11	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	105.2763	0.633	3	106.8433	1.640	11	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	106.8150	0.092	2	106.8150	0.008	2	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	105.9480	0.000	1	105.9480	0.000	1	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]CH)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	107.2480	0.000	1	107.2480	0.000	1	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]O)(C[6]O[6]CH)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	109.9540	0.000	1	109.9540	0.000	1	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[3x6]H)(C[6]C[6]CH)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	107.8600	0.000	1	107.8600	0.000	1	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	107.5350	0.000	1	107.5350	0.000	1	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	108.8870	1.550	2	108.8870	2.402	2	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	106.0150	0.000	1	106.5195	0.509	2	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	107.0240	0.000	1	106.5195	0.509	2	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	106.6290	0.208	2	106.9740	0.379	3	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	107.6640	0.000	1	106.9740	0.379	3	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HN)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	105.2390	0.000	1	105.2390	0.000	1	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	107.6333	0.365	4	107.9562	0.122	10	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	108.1715	0.016	6	107.9562	0.122	10	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	107.8930	0.000	1	107.3683	0.258	3	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	107.1060	0.322	2	107.3683	0.258	3	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HO)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	106.4520	0.000	1	106.4520	0.000	1	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	108.3160	0.000	1	108.3160	0.000	1	107.2970	1.332	213	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:I-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHHI)(H)	C(C[6]C[6,6]C[6]H)(H)2(I)	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(C[6]C[6,6]C[6]H)(H)2(I)	H(C[6]C[6,6]C[6]C)	105.4090	0.000	1	105.4090	0.000	1	105.4090	0.000	1	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[5,6]-4:C-4:H-1:	C[6]-4:H-1:H-1: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(C[6]C[5,6]C[6]H)(H)3	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(C[6]C[5,6]C[6]H)(H)3	H(C[6]C[5,6]C[6]C)	108.2920	0.197	2	108.2920	0.039	2	108.2920	0.039	2	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6,6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6,6]C[6]3)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	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(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]C)	106.6505	0.639	2	106.6505	0.408	2	106.6505	0.408	2	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:Br-1:Br-1:Br-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CBr3)(H)	C(C[6]C[6]2H)(Br)3	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(C[6]C[6]2H)(Br)3	H(C[6]C[6]2C)	103.2360	0.000	1	103.2360	0.000	1	103.2360	0.000	1	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:Br-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CBrHH)(H)	C(C[6]C[6]2H)(Br)(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(C[6]C[6]2H)(Br)(H)2	H(C[6]C[6]2C)	108.3620	0.000	1	108.3620	0.000	1	107.6730	0.939	3	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:Br-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CBrHH)(H)	C(C[6]C[6]2H)(Br)(H)2	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(C[6]C[6]2H)(Br)(H)2	H(C[6]C[6]2C)	108.0920	0.000	1	108.0920	0.000	1	107.6730	0.939	3	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:Br-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]N[6]HH)(CBrHH)(H)	C(C[6]C[6]2H)(Br)(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(C[6]C[6]2H)(Br)(H)2	H(C[6]C[6]2C)	106.5650	0.000	1	106.5650	0.000	1	107.6730	0.939	3	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:Cl-1:Cl-1:Cl-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCl3)(H)	C(C[6]C[6]2H)(Cl)3	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(C[6]C[6]2H)(Cl)3	H(C[6]C[6]2C)	106.4480	0.000	1	106.4480	0.000	1	106.4480	0.000	1	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:F-1:F-1:F-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]CN)(CF3)(H)	C(C[6]C[6]2H)(F)3	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(C[6]C[6]2H)(F)3	H(C[6]C[6]2C)	107.7790	0.000	1	107.7790	0.000	1	107.3381	0.763	17	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:F-1:F-1:F-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HW)(CF3)(H)	C(C[6]C[6]2H)(F)3	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(C[6]C[6]2H)(F)3	H(C[6]C[6]2C)	107.2560	1.578	2	107.2560	2.491	2	107.3381	0.763	17	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:F-1:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]N[6]HH)(CF3)(H)	C(C[6]C[6]2H)(F)3	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(C[6]C[6]2H)(F)3	H(C[6]C[6]2C)	105.9440	0.000	1	105.9440	0.000	1	107.3381	0.763	17	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:F-1:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CF3)(H)	C(C[6]C[6]2H)(F)3	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(C[6]C[6]2H)(F)3	H(C[6]C[6]2C)	106.7815	0.019	2	107.0830	0.040	8	107.3381	0.763	17	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:F-1:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CF3)(H)	C(C[6]C[6]2H)(F)3	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(C[6]C[6]2H)(F)3	H(C[6]C[6]2C)	107.1835	0.088	6	107.0830	0.040	8	107.3381	0.763	17	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:F-1:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HW)(CF3)(H)	C(C[6]C[6]2H)(F)3	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(C[6]C[6]2H)(F)3	H(C[6]C[6]2C)	107.7350	0.000	1	107.7350	0.000	1	107.3381	0.763	17	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:F-1:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CF3)(H)	C(C[6]C[6]2H)(F)3	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CF3)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(F)3	H(C[6]C[6]2C)	106.4260	0.000	1	107.0670	0.822	2	107.3381	0.763	17	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:F-1:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CF3)(H)	C(C[6]C[6]2H)(F)3	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CF3)(H){1|N<3>,4|H<1>}	C(C[6]C[6]2H)(F)3	H(C[6]C[6]2C)	107.7080	0.000	1	107.0670	0.822	2	107.3381	0.763	17	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:F-1:F-1:F-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CF3)(H)	C(C[6]C[6]2H)(F)3	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(C[6]C[6]2H)(F)3	H(C[6]C[6]2C)	108.9900	0.429	2	108.9900	0.184	2	107.3381	0.763	17	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]B[6a]C[6]H)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.1227	0.224	3	108.1227	0.050	3	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.4730	0.000	1	106.4730	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]CO)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.4260	0.000	1	107.4260	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]FF)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.7090	0.000	1	107.7090	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HO)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.7165	0.573	2	106.7165	0.329	2	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HO)(C[6]C[6]CH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.7830	0.000	1	108.7830	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]CH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.8843	0.242	29	107.8843	0.059	29	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]CH)(C[6]C[6]HO)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.6870	0.000	1	107.6870	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.1817	1.245	3	107.4084	1.206	8	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	105.5790	0.000	1	107.4084	1.206	8	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.8660	0.000	1	107.4084	1.206	8	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.0923	0.337	3	107.4084	1.206	8	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HS)(C[6]C[6,6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.6690	0.000	3	106.6690	0.000	3	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[6,6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.3670	0.000	1	108.1068	0.125	5	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[6,6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.0418	0.372	4	108.1068	0.125	5	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,3x6]HH)(C[6]C[6,6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.9650	0.000	1	107.7235	0.053	4	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,3x6]HH)(C[6]C[6,6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.6430	0.201	3	107.7235	0.053	4	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.3395	1.077	2	107.3395	1.160	2	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.9320	0.000	1	107.9320	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.8010	0.000	1	107.8010	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.8730	0.010	2	107.8730	0.000	2	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.8230	0.051	2	107.4443	0.431	3	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.6870	0.000	1	107.4443	0.431	3	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.0787	0.111	3	107.5616	0.190	19	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.4646	0.403	16	107.5616	0.190	19	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.9060	0.000	1	107.4965	0.335	2	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.0870	0.000	1	107.4965	0.335	2	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.3990	0.000	1	107.3990	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.6303	0.833	3	107.6303	0.694	3	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	105.9005	1.198	10	106.0066	0.988	15	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.1320	0.000	1	106.0066	0.988	15	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.2405	0.433	4	106.0066	0.988	15	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.1820	0.952	2	106.1820	0.906	2	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.0120	0.000	1	107.9187	0.534	3	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.5980	0.000	1	107.9187	0.534	3	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.1460	0.000	1	107.9187	0.534	3	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HN)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	104.6630	0.000	1	104.6630	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	109.4080	0.000	1	108.0505	3.686	2	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.6930	0.000	1	108.0505	3.686	2	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]O[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.6230	0.000	1	108.6230	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]CO)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	105.3070	0.000	1	105.3070	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]HO)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.9110	0.024	2	107.9110	0.001	2	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]HI)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.7830	0.000	1	108.7830	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.9770	0.000	1	108.0127	0.422	6	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.8090	0.000	1	108.0127	0.422	6	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.3840	0.010	2	108.0127	0.422	6	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.2610	0.477	2	108.0127	0.422	6	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.0610	0.000	2	108.0610	0.000	2	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.9570	0.000	1	108.0869	1.005	69	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.2350	0.109	2	108.0869	1.005	69	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.5540	0.218	2	108.0869	1.005	69	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.6958	0.289	8	108.0869	1.005	69	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.3770	0.000	1	108.0869	1.005	69	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.9613	0.330	4	108.0869	1.005	69	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.0095	0.366	2	108.0869	1.005	69	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.5920	0.000	1	108.0869	1.005	69	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.8570	0.000	1	108.0869	1.005	69	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.6520	0.088	2	108.0869	1.005	69	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.3828	0.372	4	108.0869	1.005	69	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.4671	0.543	13	108.0869	1.005	69	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.7410	0.000	1	108.0869	1.005	69	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.8793	0.515	3	108.0869	1.005	69	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.7488	0.485	4	108.0869	1.005	69	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.0618	0.403	4	108.0869	1.005	69	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	105.2270	0.000	1	108.0869	1.005	69	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.2851	2.404	7	108.0869	1.005	69	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.3480	0.358	2	108.0869	1.005	69	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.6258	0.740	6	108.0869	1.005	69	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	109.6170	0.000	1	109.6170	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.2730	0.000	1	108.2730	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.0140	0.161	2	108.1440	0.042	6	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.2090	0.212	4	108.1440	0.042	6	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HO)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.7680	0.000	1	107.7680	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]2H)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.3040	0.000	1	108.3040	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.1980	0.000	1	107.1980	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.3687	0.633	6	108.3687	0.401	6	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)2(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.2390	0.000	1	106.2390	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.5680	0.000	1	107.5680	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[5,6]HO)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.0680	0.000	1	108.0680	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.0595	1.108	2	106.9313	0.663	3	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.6750	0.000	1	106.9313	0.663	3	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[3,6]HO)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.1035	0.480	2	108.1035	0.231	2	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.9998	0.124	4	107.9998	0.015	4	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[5,6]HO)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.3990	0.000	1	106.3990	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.0750	0.000	1	107.7184	0.279	10	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.8160	0.000	1	107.7184	0.279	10	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.7350	0.106	3	107.7184	0.279	10	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.4260	0.000	1	107.7184	0.279	10	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.6400	0.000	1	107.7184	0.279	10	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.2570	0.000	1	107.7184	0.279	10	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.3825	0.067	2	107.7184	0.279	10	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.5120	0.000	1	108.5120	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]O[6]O)(C[6]C[6]HO)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.8650	0.000	1	106.8650	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]CO)(C[6]C[6]FF)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.0170	0.000	1	107.0170	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]CH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.5040	0.000	1	107.5040	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.1660	0.000	1	108.1660	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	105.4415	0.562	2	106.1060	1.483	3	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.4350	0.000	1	106.1060	1.483	3	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HN)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.2640	0.000	1	108.2640	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.3390	0.000	1	106.3390	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.9630	0.000	1	107.0646	0.346	34	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.7840	0.000	1	107.0646	0.346	34	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.3942	0.471	4	107.0646	0.346	34	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.6510	0.000	1	107.0646	0.346	34	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.7820	0.421	2	107.0646	0.346	34	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.0663	0.637	25	107.0646	0.346	34	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.1060	0.000	1	107.1060	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.3620	0.000	1	108.3620	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.5460	0.000	1	107.7897	1.210	18	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.4960	0.000	1	107.7897	1.210	18	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.1400	0.335	2	107.7897	1.210	18	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.8426	0.306	8	107.7897	1.210	18	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.0465	1.303	2	107.7897	1.210	18	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	109.5990	2.021	2	107.7897	1.210	18	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.4300	1.503	2	107.7897	1.210	18	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.9243	1.093	3	106.9243	1.195	3	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HO)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.0760	0.105	2	107.9670	0.020	4	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HO)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.8580	0.025	2	107.9670	0.020	4	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CS)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	109.2210	0.000	1	109.2210	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.9040	0.000	1	106.7202	0.174	4	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.6590	0.489	3	106.7202	0.174	4	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.9983	0.159	6	106.9983	0.025	6	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	109.7700	0.000	1	109.7700	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.5050	0.000	2	107.4040	1.078	4	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.3030	0.000	2	107.4040	1.078	4	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.4370	0.000	1	107.4264	1.251	5	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.3840	0.000	1	107.4264	1.251	5	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.1037	0.883	3	107.4264	1.251	5	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.9930	0.000	1	107.9930	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]FF)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.5760	0.242	2	107.5760	0.058	2	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.6180	0.000	1	107.9479	0.944	68	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.1600	1.969	3	107.9479	0.944	68	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.0920	0.205	3	107.9479	0.944	68	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.7465	0.322	15	107.9479	0.944	68	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.0410	0.000	1	107.9479	0.944	68	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.5270	0.000	1	107.9479	0.944	68	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.8500	0.000	1	107.9479	0.944	68	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.2290	0.000	1	107.9479	0.944	68	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.6645	0.473	2	107.9479	0.944	68	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.1615	0.308	2	107.9479	0.944	68	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	110.0353	3.458	3	107.9479	0.944	68	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.1463	0.382	4	107.9479	0.944	68	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.3915	1.207	4	107.9479	0.944	68	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.0465	0.186	2	107.9479	0.944	68	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.1860	0.353	4	107.9479	0.944	68	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.9218	0.445	14	107.9479	0.944	68	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.0840	0.635	7	107.9479	0.944	68	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.3910	0.797	3	107.7372	2.133	4	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	105.7760	0.000	1	107.7372	2.133	4	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.8565	0.716	2	106.8565	0.513	2	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CO)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.6560	0.000	1	107.6560	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]HO)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.4150	0.000	1	108.4150	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.3350	0.000	1	107.5314	1.000	7	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.9050	0.040	2	107.5314	1.000	7	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.6827	0.980	3	107.5314	1.000	7	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.5270	0.000	1	107.5314	1.000	7	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.0422	0.256	4	108.2248	0.123	9	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.6485	0.064	2	108.2248	0.123	9	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.5500	0.000	1	108.2248	0.123	9	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.0035	0.292	2	108.2248	0.123	9	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HS)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.6945	0.275	2	106.6945	0.076	2	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	102.9131	3.091	4	102.9131	9.557	4	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]NiH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	109.0230	0.000	1	109.0230	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.5720	0.000	1	107.5720	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.4670	0.000	1	107.4670	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.9050	0.000	1	107.9050	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.3430	0.000	1	108.2979	0.561	8	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.1840	1.330	3	108.2979	0.561	8	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.3720	0.328	4	108.2979	0.561	8	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.7860	0.000	1	108.7860	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]BrH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.2735	0.566	2	108.2735	0.321	2	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2C)(C[6]C[6]CO)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.4110	0.000	1	106.4110	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	105.6245	0.809	10	105.6245	0.654	10	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.9750	0.247	2	106.6573	0.430	24	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.2120	0.000	1	106.6573	0.430	24	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.7615	0.040	2	106.6573	0.430	24	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.4015	0.499	2	106.6573	0.430	24	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.0800	0.000	1	106.6573	0.430	24	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.4800	0.000	1	106.6573	0.430	24	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.0650	0.112	2	106.6573	0.430	24	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.5463	1.002	8	106.6573	0.430	24	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.4456	0.504	5	106.6573	0.430	24	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.4010	0.505	2	107.7505	1.284	23	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.3810	0.000	1	107.7505	1.284	23	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.6930	0.724	2	107.7505	1.284	23	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.2480	0.000	1	107.7505	1.284	23	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.4330	0.000	1	107.7505	1.284	23	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.1400	0.000	1	107.7505	1.284	23	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.3472	0.473	5	107.7505	1.284	23	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.2890	0.481	2	107.7505	1.284	23	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.6345	1.655	2	107.7505	1.284	23	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.2525	0.135	2	107.7505	1.284	23	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.4555	0.151	2	107.7505	1.284	23	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.9070	0.000	1	107.7505	1.284	23	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	103.9660	0.000	1	107.7505	1.284	23	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	109.2760	0.000	1	109.2760	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]OO)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.3090	0.000	1	107.3090	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.7610	0.000	1	108.7610	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]CH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	118.9620	0.000	1	118.9620	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.1970	0.000	1	107.4871	4.221	9	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.2530	0.000	1	107.4871	4.221	9	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.9720	3.185	4	107.4871	4.221	9	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.6595	0.197	2	107.4871	4.221	9	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(CH3)(H)	C(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)2(CH3)(H){1|O<1>,3|C<4>}	C(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.7270	0.000	1	107.4871	4.221	9	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	105.6380	0.000	1	105.6380	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.3830	0.000	1	107.8920	0.518	2	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.4010	0.000	1	107.8920	0.518	2	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HN)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.8150	0.000	1	106.8150	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.0510	0.187	3	107.0510	0.035	3	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]O[6]CH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.8635	0.248	2	107.8635	0.062	2	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CP)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.9360	0.000	1	107.9360	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]CO)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.6260	0.000	1	107.6260	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.6543	0.310	4	107.7354	0.105	5	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.0600	0.000	1	107.7354	0.105	5	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.4070	0.000	1	107.8356	0.899	5	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.4573	1.123	3	107.8356	0.899	5	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.3990	0.000	1	107.8356	0.899	5	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.1880	0.000	1	108.0201	0.175	10	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.0463	0.255	4	108.0201	0.175	10	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.8200	0.000	1	108.0201	0.175	10	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.2520	0.378	4	108.0201	0.175	10	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.1810	0.000	1	108.1810	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HW)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.8100	0.000	1	107.8100	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.8830	0.000	1	106.8830	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.4545	0.643	2	108.0519	0.250	28	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.4845	0.125	2	108.0519	0.250	28	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.0000	0.438	2	108.0519	0.250	28	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.0470	0.181	2	108.0519	0.250	28	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.1570	0.000	1	108.0519	0.250	28	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.8890	0.122	2	108.0519	0.250	28	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.6360	0.076	2	108.0519	0.250	28	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.2290	0.000	1	108.0519	0.250	28	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.3182	0.284	4	108.0519	0.250	28	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.9257	0.183	7	108.0519	0.250	28	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.3880	0.000	1	108.0519	0.250	28	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.9525	0.438	2	108.0519	0.250	28	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.8999	0.372	7	108.1763	0.230	13	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.4988	0.393	6	108.1763	0.230	13	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CO)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.6605	0.344	2	107.6605	0.119	2	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.0210	0.000	1	108.2908	0.183	29	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.9190	0.000	1	108.2908	0.183	29	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.8130	0.000	1	108.2908	0.183	29	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.6910	0.000	1	108.2908	0.183	29	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.0055	0.749	2	108.2908	0.183	29	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.3305	0.389	22	108.2908	0.183	29	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H){2|C<3>}	C(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.7070	0.000	1	108.2908	0.183	29	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.6590	0.000	1	108.0024	1.537	431	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.6970	0.000	1	108.0024	1.537	431	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.9900	0.000	1	108.0024	1.537	431	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.7780	0.626	2	108.0024	1.537	431	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.3120	0.000	1	108.0024	1.537	431	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.7732	0.564	17	108.0024	1.537	431	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.7210	0.000	1	108.0024	1.537	431	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.4973	0.019	3	108.0024	1.537	431	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.0610	0.000	1	108.0024	1.537	431	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.1735	0.647	2	108.0024	1.537	431	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.9610	0.000	1	108.0024	1.537	431	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.2840	0.000	1	108.0024	1.537	431	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.7560	0.000	1	108.0024	1.537	431	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.3660	0.000	1	108.0024	1.537	431	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,2|O<1>}	C(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	109.6440	8.953	2	108.0024	1.537	431	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,3|H<1>}	C(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.1290	0.000	1	108.0024	1.537	431	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,4|H<1>}	C(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.5795	0.476	6	108.0024	1.537	431	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.4340	0.000	1	108.0024	1.537	431	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.3807	0.826	3	108.0024	1.537	431	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	110.6540	0.000	1	108.0024	1.537	431	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.1056	0.356	31	108.0024	1.537	431	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.6813	0.528	7	108.0024	1.537	431	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.8570	0.000	1	108.0024	1.537	431	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.1470	0.877	185	108.0024	1.537	431	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.8745	0.322	2	108.0024	1.537	431	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.9162	0.337	34	108.0024	1.537	431	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.7274	1.361	5	108.0024	1.537	431	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.2693	2.738	21	108.0024	1.537	431	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.2403	0.293	4	108.0024	1.537	431	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.7238	1.240	10	108.0024	1.537	431	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|N<3>,4|H<1>}	C(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.9175	0.443	45	108.0024	1.537	431	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|N<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.1996	0.236	7	108.0024	1.537	431	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.3450	0.000	1	108.0024	1.537	431	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.2063	0.397	11	108.0024	1.537	431	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.1920	0.000	1	108.0024	1.537	431	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.1170	0.000	1	108.0024	1.537	431	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.5220	0.000	1	108.0024	1.537	431	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.2180	0.000	1	108.0024	1.537	431	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.0980	0.000	1	108.0024	1.537	431	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.1060	0.665	3	108.0024	1.537	431	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.1666	0.301	9	108.0024	1.537	431	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){3|C<3>}	C(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	100.4167	8.989	2	108.0024	1.537	431	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.2400	0.032	3	107.2400	0.001	3	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]CH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.8380	0.000	1	106.8380	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.6910	1.961	6	108.0575	1.380	23	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	109.4920	0.000	1	108.0575	1.380	23	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.1650	0.000	1	108.0575	1.380	23	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.4705	0.030	2	108.0575	1.380	23	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.5829	0.531	13	108.0575	1.380	23	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CO)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.2690	1.095	2	107.2690	1.198	2	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.8990	0.000	1	108.8990	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.1505	0.189	2	108.1505	0.036	2	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.6880	0.000	1	106.6880	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HS)(C[6]O[6]CH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.3770	0.000	1	108.3770	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]C[6]HO)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.4507	0.594	3	108.4507	0.353	3	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]N[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.0940	0.000	1	108.0940	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]SiH)(C[6]C[6]HO)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.1410	0.000	1	107.1410	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]N[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	103.4530	0.751	2	103.4530	0.564	2	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HO)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.5520	0.000	1	108.5520	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	105.5180	0.000	1	105.5180	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.1980	0.000	1	107.1980	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.6790	0.000	1	107.6790	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.4350	0.000	2	107.4350	0.000	2	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.5360	1.233	2	108.5360	1.521	2	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.9740	0.000	1	107.8820	0.226	3	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.3050	0.000	1	107.8820	0.226	3	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.3670	0.000	1	107.8820	0.226	3	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.0610	0.000	1	108.0610	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.1520	0.000	1	108.1520	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6a]O[6]H)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.3020	0.000	2	107.3020	0.000	2	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.9740	0.000	1	107.9740	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]O[6]CO)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.6090	0.000	2	108.6090	0.000	2	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.0510	0.000	1	108.0225	0.249	11	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.6385	0.523	2	108.0225	0.249	11	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.9925	0.731	4	108.0225	0.249	11	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.1487	0.137	3	108.0225	0.249	11	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.5030	0.000	1	108.0225	0.249	11	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]O[6]H)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.8620	0.252	2	108.8620	0.063	2	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]HN)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.2310	0.000	1	107.2310	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]CC)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.3970	0.888	2	107.3970	0.789	2	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.3620	0.094	4	108.3620	0.009	4	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	109.2640	0.000	1	108.0734	0.743	5	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.7758	0.633	4	108.0734	0.743	5	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]O)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.3420	0.000	1	108.3420	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.2830	0.000	1	108.2830	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.6960	0.000	1	108.6315	0.008	2	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.5670	0.000	1	108.6315	0.008	2	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.3890	0.000	1	108.3890	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.9160	0.000	1	106.9160	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.2020	0.000	1	107.2020	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.3240	0.523	4	107.8720	0.468	8	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.6190	0.415	3	107.8720	0.468	8	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	106.8230	0.000	1	107.8720	0.468	8	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]N[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	109.2260	0.000	1	109.2260	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]O[6]CH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.0030	0.000	1	108.0030	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]CH)2(CH3)(H)	C(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	C[6](C[6]O[6]CH)2(CH3)(H){1|C<3>}	C(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	108.2130	0.000	1	109.1367	0.779	3	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]CH)2(CH3)(H)	C(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	C[6](C[6]O[6]CH)2(CH3)(H){1|C<4>}	C(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	109.5985	0.527	2	109.1367	0.779	3	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)2(CH3)(H)	C(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	C[6](C[6]O[6]HH)2(CH3)(H){1|P<4>}	C(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	109.0130	0.000	1	109.0130	0.000	1	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]Si[5,6,6]HH)(C[6]Si[6]CH)(CH3)(H)	C(C[6]C[6]2H)(H)3	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(C[6]C[6]2H)(H)3	H(C[6]C[6]2C)	107.4115	0.285	4	107.4115	0.081	4	107.8080	1.431	1163	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:I-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHI)(H)	C(C[6]C[6]2H)(H)2(I)	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(C[6]C[6]2H)(H)2(I)	H(C[6]C[6]2C)	109.5560	0.000	1	108.5830	5.907	5	108.6374	3.054	9	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:I-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHI)(H)	C(C[6]C[6]2H)(H)2(I)	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(C[6]C[6]2H)(H)2(I)	H(C[6]C[6]2C)	110.6595	0.958	2	108.5830	5.907	5	108.6374	3.054	9	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:I-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHI)(H)	C(C[6]C[6]2H)(H)2(I)	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(C[6]C[6]2H)(H)2(I)	H(C[6]C[6]2C)	106.0200	0.000	2	108.5830	5.907	5	108.6374	3.054	9	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:I-1:	C[6]-4:	C[6](C[6]C[6]CH)2(CHHI)(H)	C(C[6]C[6]2H)(H)2(I)	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(C[6]C[6]2H)(H)2(I)	H(C[6]C[6]2C)	108.2210	0.000	1	108.2210	0.000	1	108.6374	3.054	9	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:I-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CHHI)(H)	C(C[6]C[6]2H)(H)2(I)	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(C[6]C[6]2H)(H)2(I)	H(C[6]C[6]2C)	108.9920	0.607	2	108.8670	0.231	3	108.6374	3.054	9	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:I-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CHHI)(H)	C(C[6]C[6]2H)(H)2(I)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CHHI)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)2(I)	H(C[6]C[6]2C)	108.6170	0.000	1	108.8670	0.231	3	108.6374	3.054	9	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:O-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CHHO)(H)	C(C[6]C[6]2H)(H)2(O)	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(C[6]C[6]2H)(H)2(O)	H(C[6]C[6]2C)	101.4580	0.000	1	101.4580	0.000	1	101.4580	0.000	1	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:N[3,6]-4:C-4:H-1:	C[6]-4:H-1:H-1: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(C[6]N[3,6]C[6]H)(H)3	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(C[6]N[3,6]C[6]H)(H)3	H(C[6]N[3,6]C[6]C)	108.2410	0.000	1	108.2410	0.000	1	108.2410	0.000	1	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	108.6170	0.238	2	108.6170	0.056	2	108.4634	4.490	111	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]CH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	111.3830	0.000	1	111.3830	0.000	1	108.4634	4.490	111	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	109.1985	0.305	2	109.1985	0.093	2	108.4634	4.490	111	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	107.9920	0.000	1	107.5160	0.453	2	108.4634	4.490	111	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	107.0400	0.000	1	107.5160	0.453	2	108.4634	4.490	111	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]BH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	107.2445	0.234	2	107.2445	0.055	2	108.4634	4.490	111	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	108.3285	0.091	2	108.3285	0.008	2	108.4634	4.490	111	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	108.7020	0.000	1	108.6774	0.879	12	108.4634	4.490	111	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	109.9025	1.999	2	108.6774	0.879	12	108.4634	4.490	111	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	108.3883	0.312	3	108.6774	0.879	12	108.4634	4.490	111	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	108.4095	0.598	6	108.6774	0.879	12	108.4634	4.490	111	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	107.6450	0.496	2	107.6450	0.246	2	108.4634	4.490	111	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(N[6]C[6]CH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	110.5130	0.000	1	110.5130	0.000	1	108.4634	4.490	111	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]O)(N[6]C[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	108.4960	0.000	1	108.4960	0.000	1	108.4634	4.490	111	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	109.3500	0.000	1	109.3500	0.000	1	108.4634	4.490	111	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	107.6685	0.978	4	108.4114	5.700	82	108.4634	4.490	111	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	109.3941	1.197	10	108.4114	5.700	82	108.4634	4.490	111	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	108.4930	0.000	1	108.4114	5.700	82	108.4634	4.490	111	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	108.0971	2.934	50	108.4114	5.700	82	108.4634	4.490	111	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	108.2130	0.000	1	108.4114	5.700	82	108.4634	4.490	111	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	108.1080	0.000	1	108.4114	5.700	82	108.4634	4.490	111	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	108.9698	0.314	13	108.4114	5.700	82	108.4634	4.490	111	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	109.4210	0.079	2	108.4114	5.700	82	108.4634	4.490	111	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	108.7330	0.000	1	108.7330	0.000	1	108.4634	4.490	111	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:P[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(P[6]O[6]OO)(CH3)(H)	C(C[6]C[6]P[6]H)(H)3	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(C[6]C[6]P[6]H)(H)3	H(C[6]C[6]P[6]C)	108.3090	0.000	1	108.3090	0.000	1	108.3090	0.000	1	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:S[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(S[6]C[6]NO)(CH3)(H)	C(C[6]C[6]S[6]H)(H)3	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(C[6]C[6]S[6]H)(H)3	H(C[6]C[6]S[6]C)	108.9160	0.000	1	108.9160	0.000	1	108.9160	0.000	1	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	N[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]N[5,6,6]C[6]H)(H)3	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(C[6]N[5,6,6]C[6]H)(H)3	H(C[6]N[5,6,6]C[6]C)	106.4513	1.334	3	106.4513	1.781	3	106.4513	1.781	3	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	N[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]N[5,6]C[6]H)(H)3	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(C[6]N[5,6]C[6]H)(H)3	H(C[6]N[5,6]C[6]C)	111.7230	0.000	1	111.7230	0.000	1	111.7230	0.000	1	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	N[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]N[6,6]C[6]H)(H)3	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(C[6]N[6,6]C[6]H)(H)3	H(C[6]N[6,6]C[6]C)	107.0490	0.000	1	107.9110	1.486	2	107.5600	1.113	3	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	N[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]N[6,6]C[6]H)(H)3	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(C[6]N[6,6]C[6]H)(H)3	H(C[6]N[6,6]C[6]C)	108.7730	0.000	1	107.9110	1.486	2	107.5600	1.113	3	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	N[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1: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(C[6]N[6,6]C[6]H)(H)3	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(C[6]N[6,6]C[6]H)(H)3	H(C[6]N[6,6]C[6]C)	106.8580	0.000	1	106.8580	0.000	1	107.5600	1.113	3	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]AlZr)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	107.4265	0.446	2	107.4265	0.199	2	107.7375	2.026	11	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	110.8920	0.000	1	110.8920	0.000	1	107.7375	2.026	11	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	109.4580	0.000	1	109.4580	0.000	1	107.7375	2.026	11	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]Al2)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	106.3003	0.102	3	106.3003	0.010	3	107.7375	2.026	11	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]LiZn)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	107.8780	0.184	2	107.8780	0.034	2	107.7375	2.026	11	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6]H)(C[6]C[6]CH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	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(C[6]C[6]N[6]H)(H)3	H(C[6]C[6]N[6]C)	107.6260	0.799	2	107.6260	0.638	2	107.7375	2.026	11	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	P[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(CH3)(H)	C(C[6]C[6]P[6]H)(H)3	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(C[6]C[6]P[6]H)(H)3	H(C[6]C[6]P[6]C)	104.7450	0.000	1	106.2265	4.390	2	106.2265	4.390	2	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	P[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(CH3)(H)	C(C[6]C[6]P[6]H)(H)3	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(C[6]C[6]P[6]H)(H)3	H(C[6]C[6]P[6]C)	107.7080	0.000	1	106.2265	4.390	2	106.2265	4.390	2	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	S[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](S[6]C[5a,6]OO)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]S[6]H)(H)3	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(C[6]C[6]S[6]H)(H)3	H(C[6]C[6]S[6]C)	108.8390	0.000	1	108.1270	1.014	2	108.1270	1.014	2	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	S[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](S[6]C[5a,6]OO)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]S[6]H)(H)3	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(C[6]C[6]S[6]H)(H)3	H(C[6]C[6]S[6]C)	107.4150	0.000	1	108.1270	1.014	2	108.1270	1.014	2	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:1:1:1:	4:	Si[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](Si[6]C[5,6]CC)(C[6]C[6]CH)(CH3)(H)	C(C[6]Si[6]C[6]H)(H)3	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(C[6]Si[6]C[6]H)(H)3	H(C[6]Si[6]C[6]C)	105.9652	0.403	4	105.9652	0.162	4	105.9652	0.162	4	107.7084	1.723	1776	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[3,6]-4:C[5,6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]H)(CHHO)(H)	C(C[6]C[3,6]C[5,6]H)(OH)(H)2	H(C[6]C[3,6]C[5,6]C)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]H)(CHHO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C(C[6]C[3,6]C[5,6]H)(OH)(H)2	H(C[6]C[3,6]C[5,6]C)	106.8740	0.472	2	106.8740	0.223	2	106.8740	0.223	2	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1: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(C[6]C[3,6]C[6]H)(OC)(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[6,6]HO)(CHHO)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[3,6]C[6]H)(OC)(H)2	H(C[6]C[3,6]C[6]C)	106.7860	0.000	1	106.7860	0.000	1	106.7860	0.000	1	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[4,6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2: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(C[6]C[4,6]C[6]H)(OH)(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(C[6]C[4,6]C[6]H)(OH)(H)2	H(C[6]C[4,6]C[6]C)	108.0530	0.000	1	108.0530	0.000	1	107.4440	0.742	2	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[4,6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2: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(C[6]C[4,6]C[6]H)(OSi)(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(C[6]C[4,6]C[6]H)(OSi)(H)2	H(C[6]C[4,6]C[6]C)	106.8350	0.000	1	106.8350	0.000	1	107.4440	0.742	2	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5,5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2: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]CH)(CHHO)(H)	C(C[6]C[5,5,6]C[6]H)(OSi)(H)2	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(C[6]C[5,5,6]C[6]H)(OSi)(H)2	H(C[6]C[5,5,6]C[6]C)	105.2240	0.000	1	105.2240	0.000	1	105.2240	0.000	1	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2: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(C[6]C[5,6,6]C[6]H)(OH)(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(C[6]C[5,6,6]C[6]H)(OH)(H)2	H(C[6]C[5,6,6]C[6]C)	106.4893	0.633	3	106.4893	0.401	3	106.8272	0.415	5	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2: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(C[6]C[5,6,6]C[6]H)(OH)(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(C[6]C[5,6,6]C[6]H)(OH)(H)2	H(C[6]C[5,6,6]C[6]C)	107.3340	0.045	2	107.3340	0.002	2	106.8272	0.415	5	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[6,6]-4:C-4:H-1:	C[6]-4:O-2:H-1: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(C[6]C[5,6]C[6,6]H)(OH)(H)2	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(C[6]C[5,6]C[6,6]H)(OH)(H)2	H(C[6]C[5,6]C[6,6]C)	107.1880	0.000	1	107.1880	0.000	1	107.1880	0.000	1	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2: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(C[6]C[5,6]C[6]H)(OH)(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(C[6]C[5,6]C[6]H)(OH)(H)2	H(C[6]C[5,6]C[6]C)	107.1180	0.000	1	107.1180	0.000	1	107.3449	1.040	21	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2: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(C[6]C[5,6]C[6]H)(OC)(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(C[6]C[5,6]C[6]H)(OC)(H)2	H(C[6]C[5,6]C[6]C)	107.5230	0.000	1	107.5320	1.148	3	107.3449	1.040	21	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2: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(C[6]C[5,6]C[6]H)(OC)(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(C[6]C[5,6]C[6]H)(OC)(H)2	H(C[6]C[5,6]C[6]C)	107.5365	1.515	2	107.5320	1.148	3	107.3449	1.040	21	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2:H-1: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(C[6]C[5,6]C[6]H)(OSi)(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]CH)(CHHO)(H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[5,6]C[6]H)(OSi)(H)2	H(C[6]C[5,6]C[6]C)	107.4400	0.000	1	107.4400	0.000	1	107.3449	1.040	21	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2: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(C[6]C[5,6]C[6]H)(OSi)(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(C[6]C[5,6]C[6]H)(OSi)(H)2	H(C[6]C[5,6]C[6]C)	106.5420	0.000	1	106.5420	0.000	1	107.3449	1.040	21	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2: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(C[6]C[5,6]C[6]H)(OC)(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(C[6]C[5,6]C[6]H)(OC)(H)2	H(C[6]C[5,6]C[6]C)	108.1780	0.000	1	108.1780	0.000	1	107.3449	1.040	21	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2: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(C[6]C[5,6]C[6]H)(OH)(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(C[6]C[5,6]C[6]H)(OH)(H)2	H(C[6]C[5,6]C[6]C)	108.7240	0.000	1	108.7240	0.000	1	107.3449	1.040	21	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2: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(C[6]C[5,6]C[6]H)(OSi)(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(C[6]C[5,6]C[6]H)(OSi)(H)2	H(C[6]C[5,6]C[6]C)	108.1410	0.000	1	107.8010	0.231	2	107.3449	1.040	21	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2: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(C[6]C[5,6]C[6]H)(OSi)(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(C[6]C[5,6]C[6]H)(OSi)(H)2	H(C[6]C[5,6]C[6]C)	107.4610	0.000	1	107.8010	0.231	2	107.3449	1.040	21	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2: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(C[6]C[5,6]C[6]H)(OH)(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(C[6]C[5,6]C[6]H)(OH)(H)2	H(C[6]C[5,6]C[6]C)	106.7710	0.000	1	106.7710	0.000	1	107.3449	1.040	21	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2: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(C[6]C[5,6]C[6]H)(OH)(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(C[6]C[5,6]C[6]H)(OH)(H)2	H(C[6]C[5,6]C[6]C)	106.9130	0.000	1	107.2780	0.266	2	107.3449	1.040	21	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2: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(C[6]C[5,6]C[6]H)(OH)(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(C[6]C[5,6]C[6]H)(OH)(H)2	H(C[6]C[5,6]C[6]C)	107.6430	0.000	1	107.2780	0.266	2	107.3449	1.040	21	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2: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(C[6]C[5,6]C[6]H)(OH)(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(C[6]C[5,6]C[6]H)(OH)(H)2	H(C[6]C[5,6]C[6]C)	106.6400	0.000	1	106.6400	0.000	1	107.3449	1.040	21	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CHHO)(H)	C(C[6]C[5,6]C[6]H)(OC)(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(C[6]C[5,6]C[6]H)(OC)(H)2	H(C[6]C[5,6]C[6]C)	107.9660	0.000	1	107.9660	0.000	1	107.3449	1.040	21	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CHHO)(H)	C(C[6]C[5,6]C[6]H)(OH)(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(C[6]C[5,6]C[6]H)(OH)(H)2	H(C[6]C[5,6]C[6]C)	106.8050	0.000	1	106.8050	0.000	1	107.3449	1.040	21	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-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(C[6]C[5,6]C[6]H)(OH)(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(C[6]C[5,6]C[6]H)(OH)(H)2	H(C[6]C[5,6]C[6]C)	105.0200	0.000	1	105.0200	0.000	1	107.3449	1.040	21	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2: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(C[6]C[5,6]C[6]H)(OC)(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(C[6]C[5,6]C[6]H)(OC)(H)2	H(C[6]C[5,6]C[6]C)	107.4515	2.555	2	107.4515	6.527	2	107.3449	1.040	21	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(CHHO)(H)	C(C[6]C[5,6]C[6]H)(OH)(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]CH)(CHHO)(H){1|C<3>,2|C<4>,4|H<1>}	C(C[6]C[5,6]C[6]H)(OH)(H)2	H(C[6]C[5,6]C[6]C)	108.1750	0.000	1	107.6910	0.469	2	107.3449	1.040	21	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(CHHO)(H)	C(C[6]C[5,6]C[6]H)(OH)(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]CH)(CHHO)(H){2|C<4>,4|H<1>}	C(C[6]C[5,6]C[6]H)(OH)(H)2	H(C[6]C[5,6]C[6]C)	107.2070	0.000	1	107.6910	0.469	2	107.3449	1.040	21	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-2:H-1: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(C[6]C[6,6]C[6]H)(CN)(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[5a]C[6]C)(CCHH)(H){1|C<3>,1|N<2>,1|O<2>,2|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(CN)(H)2	H(C[6]C[6,6]C[6]C)	105.8380	0.000	1	105.8180	0.001	2	106.4861	1.615	10	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-2:H-1: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(C[6]C[6,6]C[6]H)(CN)(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[5a]C[6]C)(CCHH)(H){1|N<2>,1|O<2>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(CN)(H)2	H(C[6]C[6,6]C[6]C)	105.7980	0.000	1	105.8180	0.001	2	106.4861	1.615	10	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CN)(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]CC)(CCHH)(H){1|C<3>,2|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(CN)(H)2	H(C[6]C[6,6]C[6]C)	106.8450	1.551	6	106.6637	2.235	7	106.4861	1.615	10	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CN)(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]CC)(CCHH)(H){3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(CN)(H)2	H(C[6]C[6,6]C[6]C)	105.5760	0.000	1	106.6637	2.235	7	106.4861	1.615	10	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-2: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(C[6]C[6,6]C[6]H)(CN)(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(C[6]C[6,6]C[6]H)(CN)(H)2	H(C[6]C[6,6]C[6]C)	106.5790	0.000	1	106.5790	0.000	1	106.4861	1.615	10	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]CC)(CHHO)(H)	C(C[6]C[6,6]C[6]H)(OC)(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]CC)(CHHO)(H){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]H)(OC)(H)2	H(C[6]C[6,6]C[6]C)	103.7520	0.000	1	104.8533	0.922	3	105.6911	1.912	16	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]CC)(CHHO)(H)	C(C[6]C[6,6]C[6]H)(OC)(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]CC)(CHHO)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C(C[6]C[6,6]C[6]H)(OC)(H)2	H(C[6]C[6,6]C[6]C)	105.5140	0.000	1	104.8533	0.922	3	105.6911	1.912	16	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]CC)(CHHO)(H)	C(C[6]C[6,6]C[6]H)(OC)(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]CC)(CHHO)(H){2|O<2>,3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]H)(OC)(H)2	H(C[6]C[6,6]C[6]C)	105.2940	0.000	1	104.8533	0.922	3	105.6911	1.912	16	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]CC)(CHHO)(H)	C(C[6]C[6,6]C[6]H)(OH)(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]CC)(CHHO)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(OH)(H)2	H(C[6]C[6,6]C[6]C)	103.8800	0.000	1	103.5565	0.209	2	105.6911	1.912	16	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]CC)(CHHO)(H)	C(C[6]C[6,6]C[6]H)(OH)(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]CC)(CHHO)(H){1|O<2>,3|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]H)(OH)(H)2	H(C[6]C[6,6]C[6]C)	103.2330	0.000	1	103.5565	0.209	2	105.6911	1.912	16	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]CO)(CHHO)(H)	C(C[6]C[6,6]C[6]H)(OH)(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[3,6]CO)(CHHO)(H){1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(OH)(H)2	H(C[6]C[6,6]C[6]C)	105.8300	0.000	1	105.8300	0.000	1	105.6911	1.912	16	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CHHO)(H)	C(C[6]C[6,6]C[6]H)(OC)(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]CH)(CHHO)(H){1|C<3>,2|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(OC)(H)2	H(C[6]C[6,6]C[6]C)	106.1320	0.000	1	106.1320	0.000	1	105.6911	1.912	16	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHHO)(H)	C(C[6]C[6,6]C[6]H)(OH)(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]CO)(CHHO)(H){1|C<3>,2|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(OH)(H)2	H(C[6]C[6,6]C[6]C)	105.0790	0.000	1	105.2850	0.037	3	105.6911	1.912	16	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHHO)(H)	C(C[6]C[6,6]C[6]H)(OH)(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]CO)(CHHO)(H){1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(OH)(H)2	H(C[6]C[6,6]C[6]C)	105.4580	0.000	1	105.2850	0.037	3	105.6911	1.912	16	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHHO)(H)	C(C[6]C[6,6]C[6]H)(OH)(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]CO)(CHHO)(H){3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(OH)(H)2	H(C[6]C[6,6]C[6]C)	105.3180	0.000	1	105.2850	0.037	3	105.6911	1.912	16	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CHHO)(H)	C(C[6]C[6,6]C[6]H)(OC)(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]HO)(CHHO)(H){3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(OC)(H)2	H(C[6]C[6,6]C[6]C)	105.6290	0.000	1	105.6290	0.000	1	105.6911	1.912	16	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2: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(C[6]C[6,6]C[6]H)(OC)(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(C[6]C[6,6]C[6]H)(OC)(H)2	H(C[6]C[6,6]C[6]C)	108.0215	0.431	2	108.0215	0.185	2	105.6911	1.912	16	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(CHHO)(H)	C(C[6]C[6,6]C[6]H)(OH)(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(C[6]C[6,6]C[6]H)(OH)(H)2	H(C[6]C[6,6]C[6]C)	106.2415	0.121	2	106.2415	0.015	2	105.6911	1.912	16	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]CC)(CHHO)(H)	C(C[6]C[6,6]C[6]H)(OH)(H)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(C[6]C[6,6]C[6]H)(OH)(H)2	H(C[6]C[6,6]C[6]C)	107.4120	0.000	1	107.4120	0.000	1	105.6911	1.912	16	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CN)(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(C[6]C[6]2H)(CN)(H)2	H(C[6]C[6]2C)	106.3750	0.000	1	106.3750	0.000	1	107.3300	4.104	5	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CN)(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(C[6]C[6]2H)(CN)(H)2	H(C[6]C[6]2C)	106.3980	0.000	1	105.9050	0.486	2	107.3300	4.104	5	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CN)(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(C[6]C[6]2H)(CN)(H)2	H(C[6]C[6]2C)	105.4120	0.000	1	105.9050	0.486	2	107.3300	4.104	5	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHH)(H)	C(C[6]C[6]2H)(CC)(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(C[6]C[6]2H)(CC)(H)2	H(C[6]C[6]2C)	107.8690	0.000	1	107.8690	0.000	1	107.3300	4.104	5	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHH)(H)	C(C[6]C[6]2H)(CN)(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(C[6]C[6]2H)(CN)(H)2	H(C[6]C[6]2C)	110.5960	0.000	1	110.5960	0.000	1	107.3300	4.104	5	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CHHN)(H)	C(C[6]C[6]2H)(NC)(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(C[6]C[6]2H)(NC)(H)2	H(C[6]C[6]2C)	107.7537	0.209	3	107.7537	0.044	3	107.7537	0.044	3	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HO)(C[6]C[6]CH)(CHHO)(H)	C(C[6]C[6]2H)(OSi)(H)2	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(C[6]C[6]2H)(OSi)(H)2	H(C[6]C[6]2C)	107.3410	0.000	1	107.3410	0.000	1	107.3511	2.950	89	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CHHO)(H)	C(C[6]C[6]2H)(OH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CHHO)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(OH)(H)2	H(C[6]C[6]2C)	104.7930	0.000	1	104.7930	0.000	1	107.3511	2.950	89	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CN)(C[6]C[5,6]HO)(CHHO)(H)	C(C[6]C[6]2H)(OSi)(H)2	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(C[6]C[6]2H)(OSi)(H)2	H(C[6]C[6]2C)	106.0260	0.000	1	106.0260	0.000	1	107.3511	2.950	89	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(CHHO)(H)	C(C[6]C[6]2H)(OH)(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(C[6]C[6]2H)(OH)(H)2	H(C[6]C[6]2C)	109.1830	0.520	3	109.1830	0.270	3	107.3511	2.950	89	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(CHHO)(H)	C(C[6]C[6]2H)(OS)(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(C[6]C[6]2H)(OS)(H)2	H(C[6]C[6]2C)	106.7330	0.000	1	106.7330	0.000	1	107.3511	2.950	89	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(CHHO)(H)	C(C[6]C[6]2H)(OSi)(H)2	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(C[6]C[6]2H)(OSi)(H)2	H(C[6]C[6]2C)	107.3340	0.000	1	107.3340	0.000	1	107.3511	2.950	89	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CHHO)(H)	C(C[6]C[6]2H)(OH)(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(C[6]C[6]2H)(OH)(H)2	H(C[6]C[6]2C)	108.0790	0.000	1	108.0790	0.000	1	107.3511	2.950	89	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CHHO)(H)	C(C[6]C[6]2H)(OH)(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(C[6]C[6]2H)(OH)(H)2	H(C[6]C[6]2C)	107.8210	0.000	1	107.5505	0.146	2	107.3511	2.950	89	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CHHO)(H)	C(C[6]C[6]2H)(OH)(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(C[6]C[6]2H)(OH)(H)2	H(C[6]C[6]2C)	107.2800	0.000	1	107.5505	0.146	2	107.3511	2.950	89	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHHO)(H)	C(C[6]C[6]2H)(OC)(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(C[6]C[6]2H)(OC)(H)2	H(C[6]C[6]2C)	105.9410	0.000	1	105.9410	0.000	1	107.3511	2.950	89	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2: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(C[6]C[6]2H)(OH)(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(C[6]C[6]2H)(OH)(H)2	H(C[6]C[6]2C)	106.5870	0.000	1	106.5870	0.000	1	107.3511	2.950	89	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1: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(C[6]C[6]2H)(OH)(H)2	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(C[6]C[6]2H)(OH)(H)2	H(C[6]C[6]2C)	106.9350	0.047	2	106.9350	0.002	2	107.3511	2.950	89	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(CHHO)(H)	C(C[6]C[6]2H)(OH)(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(C[6]C[6]2H)(OH)(H)2	H(C[6]C[6]2C)	108.3965	2.611	2	108.3410	3.419	3	107.3511	2.950	89	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(CHHO)(H)	C(C[6]C[6]2H)(OH)(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(C[6]C[6]2H)(OH)(H)2	H(C[6]C[6]2C)	108.2300	0.000	1	108.3410	3.419	3	107.3511	2.950	89	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(CHHO)(H)	C(C[6]C[6]2H)(OH)(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(C[6]C[6]2H)(OH)(H)2	H(C[6]C[6]2C)	106.8240	0.000	1	106.8240	0.000	1	107.3511	2.950	89	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CHHO)(H)	C(C[6]C[6]2H)(OC)(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(C[6]C[6]2H)(OC)(H)2	H(C[6]C[6]2C)	106.9200	0.000	1	106.9200	0.000	1	107.3511	2.950	89	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CHHO)(H)	C(C[6]C[6]2H)(OH)(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(C[6]C[6]2H)(OH)(H)2	H(C[6]C[6]2C)	106.6040	0.000	1	106.6040	0.000	1	107.3511	2.950	89	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(CHHO)(H)	C(C[6]C[6]2H)(OH)(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(C[6]C[6]2H)(OH)(H)2	H(C[6]C[6]2C)	105.2565	9.890	2	105.2565	97.818	2	107.3511	2.950	89	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(CHHO)(H)	C(C[6]C[6]2H)(OH)(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(C[6]C[6]2H)(OH)(H)2	H(C[6]C[6]2C)	111.0050	0.000	1	111.0050	0.000	1	107.3511	2.950	89	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(CHHO)(H)	C(C[6]C[6]2H)(OH)(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(C[6]C[6]2H)(OH)(H)2	H(C[6]C[6]2C)	108.9500	0.000	1	108.9500	0.000	1	107.3511	2.950	89	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CHHO)(H)	C(C[6]C[6]2H)(OC)(H)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(C[6]C[6]2H)(OC)(H)2	H(C[6]C[6]2C)	106.5300	0.000	1	105.6745	1.464	2	107.3511	2.950	89	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CHHO)(H)	C(C[6]C[6]2H)(OC)(H)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(C[6]C[6]2H)(OC)(H)2	H(C[6]C[6]2C)	104.8190	0.000	1	105.6745	1.464	2	107.3511	2.950	89	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CHHO)(H)	C(C[6]C[6]2H)(OH)(H)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(C[6]C[6]2H)(OH)(H)2	H(C[6]C[6]2C)	105.5400	0.000	1	105.5400	0.000	1	107.3511	2.950	89	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CHHO)(H)	C(C[6]C[6]2H)(OC[6a])(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(C[6]C[6]2H)(OC[6a])(H)2	H(C[6]C[6]2C)	105.5640	0.000	1	105.5640	0.000	1	107.3511	2.950	89	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)2(CHHO)(H)	C(C[6]C[6]2H)(OSi)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)2(CHHO)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(OSi)(H)2	H(C[6]C[6]2C)	105.2630	0.000	1	105.2630	0.000	1	107.3511	2.950	89	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H)	C(C[6]C[6]2H)(OC)(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(C[6]C[6]2H)(OC)(H)2	H(C[6]C[6]2C)	107.2330	0.000	1	107.2240	0.000	2	107.3511	2.950	89	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H)	C(C[6]C[6]2H)(OC)(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(C[6]C[6]2H)(OC)(H)2	H(C[6]C[6]2C)	107.2150	0.000	1	107.2240	0.000	2	107.3511	2.950	89	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H)	C(C[6]C[6]2H)(OC[6a])(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(C[6]C[6]2H)(OC[6a])(H)2	H(C[6]C[6]2C)	107.7755	1.227	2	107.7755	1.505	2	107.3511	2.950	89	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H)	C(C[6]C[6]2H)(OH)(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(C[6]C[6]2H)(OH)(H)2	H(C[6]C[6]2C)	108.3240	0.000	1	108.3240	0.000	1	107.3511	2.950	89	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H)	C(C[6]C[6]2H)(OSi)(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(C[6]C[6]2H)(OSi)(H)2	H(C[6]C[6]2C)	107.5540	0.000	1	107.5540	0.000	1	107.3511	2.950	89	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHHO)(H)	C(C[6]C[6]2H)(OC)(H)2	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(C[6]C[6]2H)(OC)(H)2	H(C[6]C[6]2C)	105.9425	0.052	2	105.9425	0.003	2	107.3511	2.950	89	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CHHO)(H)	C(C[6]C[6]2H)(OC)(H)2	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(C[6]C[6]2H)(OC)(H)2	H(C[6]C[6]2C)	106.7620	0.000	1	106.7620	0.000	1	107.3511	2.950	89	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CHHO)(H)	C(C[6]C[6]2H)(OH)(H)2	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(C[6]C[6]2H)(OH)(H)2	H(C[6]C[6]2C)	105.8480	0.000	1	105.8480	0.000	1	107.3511	2.950	89	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(CHHO)(H)	C(C[6]C[6]2H)(OC)(H)2	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(C[6]C[6]2H)(OC)(H)2	H(C[6]C[6]2C)	104.8310	0.000	1	104.8310	0.000	1	107.3511	2.950	89	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(CHHO)(H)	C(C[6]C[6]2H)(OSi)(H)2	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(C[6]C[6]2H)(OSi)(H)2	H(C[6]C[6]2C)	107.3160	0.000	1	107.3160	0.000	1	107.3511	2.950	89	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)(H)	C(C[6]C[6]2H)(OC)(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(C[6]C[6]2H)(OC)(H)2	H(C[6]C[6]2C)	107.4900	0.000	1	107.3195	0.058	2	107.3511	2.950	89	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)(H)	C(C[6]C[6]2H)(OC)(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(C[6]C[6]2H)(OC)(H)2	H(C[6]C[6]2C)	107.1490	0.000	1	107.3195	0.058	2	107.3511	2.950	89	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)(H)	C(C[6]C[6]2H)(OH)(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(C[6]C[6]2H)(OH)(H)2	H(C[6]C[6]2C)	108.4190	0.000	1	108.4190	0.000	1	107.3511	2.950	89	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CHHO)(H)	C(C[6]C[6]2H)(OH)(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(C[6]C[6]2H)(OH)(H)2	H(C[6]C[6]2C)	107.5855	0.267	2	107.5855	0.071	2	107.3511	2.950	89	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CHHO)(H)	C(C[6]C[6]2H)(OC)(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(C[6]C[6]2H)(OC)(H)2	H(C[6]C[6]2C)	107.7760	0.042	2	107.7760	0.002	2	107.3511	2.950	89	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CHHO)(H)	C(C[6]C[6]2H)(OC[6a])(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(C[6]C[6]2H)(OC[6a])(H)2	H(C[6]C[6]2C)	108.0217	0.268	4	108.1484	0.134	5	107.3511	2.950	89	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CHHO)(H)	C(C[6]C[6]2H)(OC[6a])(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(C[6]C[6]2H)(OC[6a])(H)2	H(C[6]C[6]2C)	108.6550	0.000	1	108.1484	0.134	5	107.3511	2.950	89	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CHHO)(H)	C(C[6]C[6]2H)(OH)(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(C[6]C[6]2H)(OH)(H)2	H(C[6]C[6]2C)	107.8028	0.254	5	107.8709	0.067	8	107.3511	2.950	89	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CHHO)(H)	C(C[6]C[6]2H)(OH)(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(C[6]C[6]2H)(OH)(H)2	H(C[6]C[6]2C)	108.0190	0.000	1	107.8709	0.067	8	107.3511	2.950	89	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CHHO)(H)	C(C[6]C[6]2H)(OH)(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(C[6]C[6]2H)(OH)(H)2	H(C[6]C[6]2C)	107.9670	0.383	2	107.8709	0.067	8	107.3511	2.950	89	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CHHO)(H)	C(C[6]C[6]2H)(OS)(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(C[6]C[6]2H)(OS)(H)2	H(C[6]C[6]2C)	108.1240	0.227	3	108.1240	0.051	3	107.3511	2.950	89	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]HS)(CHHO)(H)	C(C[6]C[6]2H)(OC)(H)2	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(C[6]C[6]2H)(OC)(H)2	H(C[6]C[6]2C)	106.2510	0.000	1	106.2510	0.000	1	107.3511	2.950	89	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(CHHO)(H)	C(C[6]C[6]2H)(OC)(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(C[6]C[6]2H)(OC)(H)2	H(C[6]C[6]2C)	106.5380	0.000	1	106.5380	0.000	1	107.3511	2.950	89	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CHHO)(H)	C(C[6]C[6]2H)(OH)(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(C[6]C[6]2H)(OH)(H)2	H(C[6]C[6]2C)	106.1280	0.000	1	106.1280	0.000	1	107.3511	2.950	89	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHHO)(H)	C(C[6]C[6]2H)(OC[6a])(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(C[6]C[6]2H)(OC[6a])(H)2	H(C[6]C[6]2C)	107.8830	0.000	1	108.4706	0.189	9	107.3511	2.950	89	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHHO)(H)	C(C[6]C[6]2H)(OC[6a])(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(C[6]C[6]2H)(OC[6a])(H)2	H(C[6]C[6]2C)	108.5440	0.400	8	108.4706	0.189	9	107.3511	2.950	89	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHHO)(H)	C(C[6]C[6]2H)(OH)(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(C[6]C[6]2H)(OH)(H)2	H(C[6]C[6]2C)	108.3620	0.000	1	108.5163	0.081	3	107.3511	2.950	89	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHHO)(H)	C(C[6]C[6]2H)(OH)(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(C[6]C[6]2H)(OH)(H)2	H(C[6]C[6]2C)	108.5935	0.354	2	108.5163	0.081	3	107.3511	2.950	89	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHHO)(H)	C(C[6]C[6]2H)(OS)(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(C[6]C[6]2H)(OS)(H)2	H(C[6]C[6]2C)	106.6620	0.000	1	106.6620	0.000	1	107.3511	2.950	89	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-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(C[6]C[6]2H)(OH)(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(C[6]C[6]2H)(OH)(H)2	H(C[6]C[6]2C)	108.3340	0.000	1	108.3340	0.000	1	107.3511	2.950	89	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HN)(CHHO)(H)	C(C[6]C[6]2H)(OH)(H)2	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(C[6]C[6]2H)(OH)(H)2	H(C[6]C[6]2C)	104.3360	0.015	4	104.3360	0.000	4	107.3511	2.950	89	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]C[5a]H)(C[6]C[6]CH)(CHHO)(H)	C(C[6]C[6]2H)(OH)(H)2	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(C[6]C[6]2H)(OH)(H)2	H(C[6]C[6]2C)	108.1870	0.000	1	108.1870	0.000	1	107.3511	2.950	89	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1: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(C[6]C[6]2H)(OH)(H)2	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(C[6]C[6]2H)(OH)(H)2	H(C[6]C[6]2C)	107.8660	0.413	2	107.8660	0.171	2	107.3511	2.950	89	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:S-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(CHHS)(H)	C(C[6]C[6]2H)(SC)(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(C[6]C[6]2H)(SC)(H)2	H(C[6]C[6]2C)	107.2610	0.000	1	107.2610	0.000	1	107.2610	0.000	1	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]CC)(CHHO)(H)	C(C[6]C[6]N[6]H)(OH)(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(C[6]C[6]N[6]H)(OH)(H)2	H(C[6]C[6]N[6]C)	106.1910	0.000	1	106.1910	0.000	1	106.6110	0.353	2	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CHHO)(H)	C(C[6]C[6]N[6]H)(OH)(H)2	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(C[6]C[6]N[6]H)(OH)(H)2	H(C[6]C[6]N[6]C)	107.0310	0.000	1	107.0310	0.000	1	106.6110	0.353	2	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:1:1:	4:	N[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2: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(C[6]N[5,6]C[6]H)(OC)(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(C[6]N[5,6]C[6]H)(OC)(H)2	H(C[6]N[5,6]C[6]C)	109.4930	0.000	1	109.4930	0.000	1	109.4930	0.000	1	107.1017	2.501	160	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:2:1:	4:	C[4,5,6,6]-4:C[5,6]-4:C-4:H-1:	C[6]-4:O-2:O-2:H-1:	C[6]-4:	C[6](C[4,5,6,6]C[4,5,6,6]2C[5,6])(C[5,6]C[3,5]C[5,6]H)(CHOO)(H)	C(C[6]C[4,5,6,6]C[5,6]H)(OC)2(H)	H(C[6]C[4,5,6,6]C[5,6]C)	C[6](C[4,5,6,6]C[4,5,6,6]2C[5,6])(C[5,6]C[3,5]C[5,6]H)(CHOO)(H){1|C<3>,1|O<1>,2|O<2>,3|H<1>,5|C<4>}	C(C[6]C[4,5,6,6]C[5,6]H)(OC)2(H)	H(C[6]C[4,5,6,6]C[5,6]C)	105.2870	0.000	1	105.2870	0.000	1	105.2870	0.000	1	106.7918	8.372	5	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:2:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-2:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHO)(H)	C(C[6]C[5,6]C[6]H)(CC)(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]HH)(CCHO)(H){1|C<2>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C(C[6]C[5,6]C[6]H)(CC)(OH)(H)	H(C[6]C[5,6]C[6]C)	108.0390	0.494	2	108.0390	0.244	2	108.0390	0.244	2	106.7918	8.372	5	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2:C-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHO)(H)	C(C[6]C[5,6]C[6]H)(OSi)(CC)(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]HH)(CCHO)(H){1|C<2>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C(C[6]C[5,6]C[6]H)(OSi)(CC)(H)	H(C[6]C[5,6]C[6]C)	102.5970	0.000	1	102.5970	0.000	1	102.5970	0.000	1	106.7918	8.372	5	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(CHOO)(H)	C(C[6]C[6]2H)(OC)2(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(C[6]C[6]2H)(OC)2(H)	H(C[6]C[6]2C)	109.9970	0.000	1	109.9970	0.000	1	109.9970	0.000	1	106.7918	8.372	5	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHN)(H)	C(C[6]C[6]2H)(NC[6])(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHN)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(NC[6])(CH3)(H)	H(C[6]C[6]2C)	106.8175	0.186	2	106.8175	0.035	2	106.8175	0.035	2	106.8175	0.035	2	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[3,6]-4:C[6,6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	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(C[6]C[3,6]C[6,6]H)(CC[5]H)(H)2	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(C[6]C[3,6]C[6,6]H)(CC[5]H)(H)2	H(C[6]C[3,6]C[6,6]C)	106.2760	0.000	1	106.2760	0.000	1	106.2760	0.000	1	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]2C)(CCHH)(H)	C(C[6]C[3,6]C[6]H)(COO)(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[6]2C)(CCHH)(H){3|C<4>,4|H<1>}	C(C[6]C[3,6]C[6]H)(COO)(H)2	H(C[6]C[3,6]C[6]C)	104.7520	0.000	1	104.7520	0.000	1	104.7520	0.000	1	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3: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(C[6]C[3,6]C[6]H)(C[6a]C[6a]2)(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(C[6]C[3,6]C[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[3,6]C[6]C)	106.7290	0.000	1	106.7290	0.000	1	106.7290	0.000	1	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[3x6]C[6]H)(CCO)(H)2	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(C[6]C[3x6]C[6]H)(CCO)(H)2	H(C[6]C[3x6]C[6]C)	108.8670	0.000	1	108.8670	0.000	1	108.8670	0.000	1	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3: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(C[6]C[5,6,6]C[6]H)(CCO)(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(C[6]C[5,6,6]C[6]H)(CCO)(H)2	H(C[6]C[5,6,6]C[6]C)	109.5400	0.000	1	109.5400	0.000	1	109.5400	0.000	1	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(CHHN)(H)	C(C[6]C[5,6]2H)(NOO)(H)2	H(C[6]C[5,6]2C)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(CHHN)(H){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C(C[6]C[5,6]2H)(NOO)(H)2	H(C[6]C[5,6]2C)	108.1080	0.000	1	108.1080	0.000	1	108.1080	0.000	1	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6,6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	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(C[6]C[5,6]C[6,6]H)(COO)(H)2	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(C[6]C[5,6]C[6,6]H)(COO)(H)2	H(C[6]C[5,6]C[6,6]C)	105.3313	0.193	3	105.3313	0.037	3	105.3313	0.037	3	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3: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(C[6]C[5,6]C[6]H)(CCO)(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(C[6]C[5,6]C[6]H)(CCO)(H)2	H(C[6]C[5,6]C[6]C)	107.4940	0.000	1	107.4940	0.000	1	106.5925	1.666	38	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CCH)(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]CC)(CCHH)(H){1|O<1>,2|O<2>,4|C<4>}	C(C[6]C[5,6]C[6]H)(CCH)(H)2	H(C[6]C[5,6]C[6]C)	106.8280	0.000	1	106.8280	0.000	1	106.5925	1.666	38	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-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)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CCH)(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(C[6]C[5,6]C[6]H)(CCH)(H)2	H(C[6]C[5,6]C[6]C)	106.2050	0.000	2	106.2050	0.000	2	106.5925	1.666	38	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2C)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(COO)(H)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(C[6]C[5,6]C[6]H)(COO)(H)2	H(C[6]C[5,6]C[6]C)	101.6870	0.000	1	104.8498	3.166	5	106.5925	1.666	38	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2C)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(COO)(H)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(C[6]C[5,6]C[6]H)(COO)(H)2	H(C[6]C[5,6]C[6]C)	105.5460	0.308	2	104.8498	3.166	5	106.5925	1.666	38	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2C)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(COO)(H)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(C[6]C[5,6]C[6]H)(COO)(H)2	H(C[6]C[5,6]C[6]C)	105.7350	0.168	2	104.8498	3.166	5	106.5925	1.666	38	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(COO)(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]CC)(CCHH)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C(C[6]C[5,6]C[6]H)(COO)(H)2	H(C[6]C[5,6]C[6]C)	105.1360	0.312	3	105.1360	0.097	3	106.5925	1.666	38	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CCH)(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]CC)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C(C[6]C[5,6]C[6]H)(CCH)(H)2	H(C[6]C[5,6]C[6]C)	106.3250	0.000	1	106.3250	0.000	1	106.5925	1.666	38	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3: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(C[6]C[5,6]C[6]H)(CCO)(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(C[6]C[5,6]C[6]H)(CCO)(H)2	H(C[6]C[5,6]C[6]C)	107.8895	0.378	2	107.8895	0.143	2	106.5925	1.666	38	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3: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(C[6]C[5,6]C[6]H)(CC[6a]O)(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(C[6]C[5,6]C[6]H)(CC[6a]O)(H)2	H(C[6]C[5,6]C[6]C)	107.7850	0.245	4	108.0768	0.287	6	106.5925	1.666	38	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3: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(C[6]C[5,6]C[6]H)(CC[6a]O)(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(C[6]C[5,6]C[6]H)(CC[6a]O)(H)2	H(C[6]C[5,6]C[6]C)	108.6605	0.484	2	108.0768	0.287	6	106.5925	1.666	38	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3: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(C[6]C[5,6]C[6]H)(COO)(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(C[6]C[5,6]C[6]H)(COO)(H)2	H(C[6]C[5,6]C[6]C)	107.8790	0.000	1	107.8790	0.000	1	106.5925	1.666	38	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3: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(C[6]C[5,6]C[6]H)(CCO)(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(C[6]C[5,6]C[6]H)(CCO)(H)2	H(C[6]C[5,6]C[6]C)	106.5090	0.000	1	106.5090	0.000	1	106.5925	1.666	38	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3: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(C[6]C[5,6]C[6]H)(CCH)(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(C[6]C[5,6]C[6]H)(CCH)(H)2	H(C[6]C[5,6]C[6]C)	106.3230	0.000	1	106.3230	0.000	1	106.5925	1.666	38	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5]C[6]O)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CC[5]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]C[5]C[6]O)(CCHH)(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C(C[6]C[5,6]C[6]H)(CC[5]C)(H)2	H(C[6]C[5,6]C[6]C)	106.6900	0.136	2	106.6900	0.018	2	106.5925	1.666	38	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3: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(C[6]C[5,6]C[6]H)(CCO)(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(C[6]C[5,6]C[6]H)(CCO)(H)2	H(C[6]C[5,6]C[6]C)	107.1710	0.000	1	107.1710	0.000	1	106.5925	1.666	38	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3: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(C[6]C[5,6]C[6]H)(CC[6a]O)(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(C[6]C[5,6]C[6]H)(CC[6a]O)(H)2	H(C[6]C[5,6]C[6]C)	106.9010	0.000	1	106.9010	0.000	1	106.5925	1.666	38	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-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(C[6]C[5,6]C[6]H)(CC[6a]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(C[6]C[5,6]C[6]H)(CC[6a]O)(H)2	H(C[6]C[5,6]C[6]C)	107.0340	0.000	1	107.0340	0.000	1	106.5925	1.666	38	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-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(C[6]C[5,6]C[6]H)(CC[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(C[6]C[5,6]C[6]H)(CC[6a]O)(H)2	H(C[6]C[5,6]C[6]C)	106.3663	0.436	7	106.3663	0.190	7	106.5925	1.666	38	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-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)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(COO)(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(C[6]C[5,6]C[6]H)(COO)(H)2	H(C[6]C[5,6]C[6]C)	108.2700	0.000	1	108.2700	0.000	1	106.5925	1.666	38	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(COO)(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(C[6]C[5,6]C[6]H)(COO)(H)2	H(C[6]C[5,6]C[6]C)	105.5300	0.000	1	105.5300	0.000	1	106.5925	1.666	38	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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[6a]-3:Cl-1: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(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(Cl)(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(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(Cl)(H)	H(C[6]C[5,6]C[6]C)	106.0480	0.000	1	106.0480	0.000	1	106.7575	1.007	2	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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[6a]-3:Cl-1: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(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(Cl)(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(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(Cl)(H)	H(C[6]C[5,6]C[6]C)	107.4670	0.000	1	107.4670	0.000	1	106.7575	1.007	2	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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[6a]-3: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(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(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(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[5,6]C[6]C)	107.2280	0.000	1	107.0560	0.059	2	106.7062	0.183	4	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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[6a]-3: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(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(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(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[5,6]C[6]C)	106.8840	0.000	1	107.0560	0.059	2	106.7062	0.183	4	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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[6a]-3:H-1: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(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(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]HO)(CC[6a]HH)(H){3|H<1>,4|C<4>}	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[5,6]C[6]C)	106.3565	0.016	2	106.3565	0.000	2	106.7062	0.183	4	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(CHHN)(H)	C(C[6]C[5,6]C[6]H)(NOO)(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]CH)(CHHN)(H){1|O<2>,2|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]H)(NOO)(H)2	H(C[6]C[5,6]C[6]C)	108.7090	0.000	1	108.7090	0.000	1	108.7090	0.000	1	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3: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(C[6]C[6,6]C[6]H)(CCC)(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(C[6]C[6,6]C[6]H)(CCC)(H)2	H(C[6]C[6,6]C[6]C)	108.1702	0.283	4	108.1702	0.080	4	106.4461	1.426	31	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3: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(C[6]C[6,6]C[6]H)(CCC)(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(C[6]C[6,6]C[6]H)(CCC)(H)2	H(C[6]C[6,6]C[6]C)	109.6880	0.000	1	109.6880	0.000	1	106.4461	1.426	31	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3:H-1:H-1:	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(C[6]C[6,6]C[6]H)(COO)(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[5]C[6]C)(CCHH)(H){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]H)(COO)(H)2	H(C[6]C[6,6]C[6]C)	105.6085	0.230	2	105.6085	0.053	2	106.4461	1.426	31	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3: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(C[6]C[6,6]C[6]H)(CCO)(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(C[6]C[6,6]C[6]H)(CCO)(H)2	H(C[6]C[6,6]C[6]C)	105.2950	0.000	1	105.2950	0.000	1	106.4461	1.426	31	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]CC)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(COO)(H)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(C[6]C[6,6]C[6]H)(COO)(H)2	H(C[6]C[6,6]C[6]C)	106.1615	0.295	2	106.1615	0.087	2	106.4461	1.426	31	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(COO)(H)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(C[6]C[6,6]C[6]H)(COO)(H)2	H(C[6]C[6,6]C[6]C)	105.5370	0.000	1	105.7833	0.155	4	106.4461	1.426	31	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(COO)(H)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(C[6]C[6,6]C[6]H)(COO)(H)2	H(C[6]C[6,6]C[6]C)	105.4580	0.000	1	105.7833	0.155	4	106.4461	1.426	31	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(COO)(H)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(C[6]C[6,6]C[6]H)(COO)(H)2	H(C[6]C[6,6]C[6]C)	106.0690	0.366	2	105.7833	0.155	4	106.4461	1.426	31	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CCH)(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]CC)(CCHH)(H){3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(CCH)(H)2	H(C[6]C[6,6]C[6]C)	105.1420	0.000	1	105.1420	0.000	1	106.4461	1.426	31	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(COO)(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]CC)(CCHH)(H){2|C<4>,2|H<1>,2|O<1>}	C(C[6]C[6,6]C[6]H)(COO)(H)2	H(C[6]C[6,6]C[6]C)	105.9460	0.000	1	106.0587	0.026	3	106.4461	1.426	31	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(COO)(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]CC)(CCHH)(H){3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(COO)(H)2	H(C[6]C[6,6]C[6]C)	106.1150	0.180	2	106.0587	0.026	3	106.4461	1.426	31	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CC[5a]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]CO)(CCHH)(H){3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(CC[5a]O)(H)2	H(C[6]C[6,6]C[6]C)	105.1140	0.000	1	105.1140	0.000	1	106.4461	1.426	31	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CNO)(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]CO)(CCHH)(H){3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(CNO)(H)2	H(C[6]C[6,6]C[6]C)	105.4180	0.447	3	105.4180	0.200	3	106.4461	1.426	31	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3: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(C[6]C[6,6]C[6]H)(CCH)(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(C[6]C[6,6]C[6]H)(CCH)(H)2	H(C[6]C[6,6]C[6]C)	106.7580	0.000	1	106.7580	0.000	1	106.4461	1.426	31	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3: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(C[6]C[6,6]C[6]H)(COO)(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(C[6]C[6,6]C[6]H)(COO)(H)2	H(C[6]C[6,6]C[6]C)	106.1350	0.000	1	106.8100	0.911	2	106.4461	1.426	31	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3: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(C[6]C[6,6]C[6]H)(COO)(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(C[6]C[6,6]C[6]H)(COO)(H)2	H(C[6]C[6,6]C[6]C)	107.4850	0.000	1	106.8100	0.911	2	106.4461	1.426	31	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3: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(C[6]C[6,6]C[6]H)(CC[6a]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)(CCHH)(H){1|O<1>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(CC[6a]O)(H)2	H(C[6]C[6,6]C[6]C)	106.8775	0.107	2	106.4205	0.459	4	106.4461	1.426	31	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3: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(C[6]C[6,6]C[6]H)(CC[6a]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)(CCHH)(H){3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(CC[6a]O)(H)2	H(C[6]C[6,6]C[6]C)	105.9635	0.729	2	106.4205	0.459	4	106.4461	1.426	31	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3: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(C[6]C[6,6]C[6]H)(COO)(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(C[6]C[6,6]C[6]H)(COO)(H)2	H(C[6]C[6,6]C[6]C)	108.5910	0.000	1	107.3730	2.967	2	106.4461	1.426	31	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3: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(C[6]C[6,6]C[6]H)(COO)(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(C[6]C[6,6]C[6]H)(COO)(H)2	H(C[6]C[6,6]C[6]C)	106.1550	0.000	1	107.3730	2.967	2	106.4461	1.426	31	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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[5]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CC[5]HH)(H)	C(C[6]C[6,6]C[6]H)(C[5]C[5]N[5])(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]CO)(CC[5]HH)(H){3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(C[5]C[5]N[5])(H)2	H(C[6]C[6,6]C[6]C)	105.1110	0.000	1	105.1110	0.000	1	105.1110	0.000	1	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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[6a]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CC[6a]HH)(H)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(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]CO)(CC[6a]HH)(H){3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6,6]C[6]C)	104.8990	0.000	1	104.8990	0.000	1	105.7067	1.200	7	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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[6a]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CC[6a]HH)(H)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]N[6a])(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]CO)(CC[6a]HH)(H){3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]N[6a])(H)2	H(C[6]C[6,6]C[6]C)	104.9660	0.000	1	104.9660	0.000	1	105.7067	1.200	7	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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[6a]-3: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(C[6]C[6,6]C[6]H)(C[6a]C[6a]N[6a])(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(C[6]C[6,6]C[6]H)(C[6a]C[6a]N[6a])(H)2	H(C[6]C[6,6]C[6]C)	106.3980	0.000	1	106.3980	0.000	1	105.7067	1.200	7	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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[6a]-3:H-1: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(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(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]HN)(CC[6a]HH)(H){2|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6,6]C[6]C)	104.8450	0.286	2	104.8450	0.082	2	105.7067	1.200	7	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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[6a]-3:H-1: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(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(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]CO)(CC[6a]HH)(H){3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6,6]C[6]C)	106.4390	0.000	1	106.4390	0.000	1	105.7067	1.200	7	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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[6a]-3: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(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(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(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6,6]C[6]C)	107.5550	0.000	1	107.5550	0.000	1	105.7067	1.200	7	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3:H-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(C[6]C[6,6]C[6]H)(NOO)(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]BrH)(CHHN)(H){2|C<3>,3|H<1>,3|O<2>}	C(C[6]C[6,6]C[6]H)(NOO)(H)2	H(C[6]C[6,6]C[6]C)	108.1150	0.399	2	108.1150	0.159	2	108.1150	0.159	2	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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]N[6]H)(C[6]C[6]HH)(CN[6]HH)(H)	C(C[6]C[6,6]C[6]H)(N[6]C[6]2)(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(C[6]C[6,6]C[6]H)(N[6]C[6]2)(H)2	H(C[6]C[6,6]C[6]C)	107.3610	0.000	1	107.3610	0.000	1	107.3610	0.000	1	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCFF)(H)	C(C[6]C[6]2H)(CCF)(F)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(C[6]C[6]2H)(CCF)(F)2	H(C[6]C[6]2C)	104.7160	0.000	1	104.7160	0.000	1	105.9215	2.906	2	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCFF)(H)	C(C[6]C[6]2H)(CClC)(F)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(C[6]C[6]2H)(CClC)(F)2	H(C[6]C[6]2C)	107.1270	0.000	1	107.1270	0.000	1	105.9215	2.906	2	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCFH)(H)	C(C[6]C[6]2H)(CCH)(F)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCFH)(H){1|N<3>,4|H<1>}	C(C[6]C[6]2H)(CCH)(F)(H)	H(C[6]C[6]2C)	107.3575	1.411	2	107.3575	1.990	2	107.3575	1.990	2	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6,6]CC)(CCHH)(H)	C(C[6]C[6]2H)(CCH)(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(C[6]C[6]2H)(CCH)(H)2	H(C[6]C[6]2C)	105.6153	1.101	3	105.6153	1.211	3	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]O[6]CC)(CCHH)(H)	C(C[6]C[6]2H)(CCH)(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(C[6]C[6]2H)(CCH)(H)2	H(C[6]C[6]2C)	107.4647	0.037	3	107.4647	0.001	3	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3: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(C[6]C[6]2H)(CCH)(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(C[6]C[6]2H)(CCH)(H)2	H(C[6]C[6]2C)	107.3690	0.000	1	107.3690	0.000	1	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]CH)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CN[5]O)(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(C[6]C[6]2H)(CN[5]O)(H)2	H(C[6]C[6]2C)	107.3800	0.000	1	107.3800	0.000	1	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3: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(C[6]C[6]2H)(CCH)(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(C[6]C[6]2H)(CCH)(H)2	H(C[6]C[6]2C)	106.1453	1.438	4	106.1453	2.067	4	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CNS)(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(C[6]C[6]2H)(CNS)(H)2	H(C[6]C[6]2C)	107.0070	0.000	1	107.0070	0.000	1	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(COO)(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(C[6]C[6]2H)(COO)(H)2	H(C[6]C[6]2C)	108.3725	0.547	2	108.3725	0.299	2	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(CCHH)(H)	C(C[6]C[6]2H)(CC[6a]O)(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(C[6]C[6]2H)(CC[6a]O)(H)2	H(C[6]C[6]2C)	103.7210	0.000	1	103.7210	0.000	1	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6]2H)(CBrC)(H)2	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(C[6]C[6]2H)(CBrC)(H)2	H(C[6]C[6]2C)	106.4580	0.000	1	106.4580	0.000	1	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HO)(CCHH)(H)	C(C[6]C[6]2H)(CCC)(H)2	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(C[6]C[6]2H)(CCC)(H)2	H(C[6]C[6]2C)	105.5560	0.000	1	105.5560	0.000	1	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CCH)(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(C[6]C[6]2H)(CCH)(H)2	H(C[6]C[6]2C)	107.0557	0.359	3	106.4078	1.125	16	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CCH)(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(C[6]C[6]2H)(CCH)(H)2	H(C[6]C[6]2C)	107.2870	0.000	1	106.4078	1.125	16	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CCH)(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(C[6]C[6]2H)(CCH)(H)2	H(C[6]C[6]2C)	107.1044	0.209	5	106.4078	1.125	16	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CCH)(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(C[6]C[6]2H)(CCH)(H)2	H(C[6]C[6]2C)	106.4667	0.219	3	106.4078	1.125	16	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CCH)(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(C[6]C[6]2H)(CCH)(H)2	H(C[6]C[6]2C)	104.7873	0.677	4	106.4078	1.125	16	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CC[6a]O)(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(C[6]C[6]2H)(CC[6a]O)(H)2	H(C[6]C[6]2C)	106.9450	0.000	1	106.9450	0.000	1	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(CCHH)(H)	C(C[6]C[6]2H)(COO)(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(C[6]C[6]2H)(COO)(H)2	H(C[6]C[6]2C)	105.6780	0.000	2	105.6780	0.000	2	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6]2H)(COO)(H)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(C[6]C[6]2H)(COO)(H)2	H(C[6]C[6]2C)	106.0600	0.000	1	106.0600	0.000	1	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(COO)(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(C[6]C[6]2H)(COO)(H)2	H(C[6]C[6]2C)	107.7970	0.000	1	107.7295	0.009	2	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(COO)(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(C[6]C[6]2H)(COO)(H)2	H(C[6]C[6]2C)	107.6620	0.000	1	107.7295	0.009	2	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CCC)(H)2	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(C[6]C[6]2H)(CCC)(H)2	H(C[6]C[6]2C)	104.4680	0.000	1	104.4680	0.000	1	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CC[6a]O)(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(C[6]C[6]2H)(CC[6a]O)(H)2	H(C[6]C[6]2C)	107.6110	0.000	1	107.6110	0.000	1	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]O[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CC[6a]O)(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(C[6]C[6]2H)(CC[6a]O)(H)2	H(C[6]C[6]2C)	108.7390	0.000	1	108.7390	0.000	1	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6]2H)(COO)(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(C[6]C[6]2H)(COO)(H)2	H(C[6]C[6]2C)	108.2980	0.044	2	108.2980	0.002	2	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(COO)(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(C[6]C[6]2H)(COO)(H)2	H(C[6]C[6]2C)	108.5510	0.000	1	108.5310	0.001	2	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(COO)(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(C[6]C[6]2H)(COO)(H)2	H(C[6]C[6]2C)	108.5110	0.000	1	108.5310	0.001	2	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]O[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(COO)(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(C[6]C[6]2H)(COO)(H)2	H(C[6]C[6]2C)	107.8740	0.000	1	107.8740	0.000	1	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2C)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6]2H)(CNO)(H)2	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(C[6]C[6]2H)(CNO)(H)2	H(C[6]C[6]2C)	105.1670	0.000	1	105.1670	0.000	1	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2C)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6]2H)(COO)(H)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(C[6]C[6]2H)(COO)(H)2	H(C[6]C[6]2C)	105.1838	0.727	4	105.1838	0.529	4	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CCH)(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(C[6]C[6]2H)(CCH)(H)2	H(C[6]C[6]2C)	108.3070	0.000	1	108.3070	0.000	1	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6]2H)(CC[5a]O)(H)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(C[6]C[6]2H)(CC[5a]O)(H)2	H(C[6]C[6]2C)	107.3640	0.000	1	107.3640	0.000	1	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6]2H)(COO)(H)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(C[6]C[6]2H)(COO)(H)2	H(C[6]C[6]2C)	106.8395	0.182	2	106.8395	0.033	2	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CCH)(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(C[6]C[6]2H)(CCH)(H)2	H(C[6]C[6]2C)	107.3950	0.000	1	106.4830	2.764	3	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CCH)(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(C[6]C[6]2H)(CCH)(H)2	H(C[6]C[6]2C)	107.4900	0.000	1	106.4830	2.764	3	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CCH)(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(C[6]C[6]2H)(CCH)(H)2	H(C[6]C[6]2C)	104.5640	0.000	1	106.4830	2.764	3	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)2(CCHH)(H)	C(C[6]C[6]2H)(CCO)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)2(CCHH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CCO)(H)2	H(C[6]C[6]2C)	104.6250	0.000	1	104.6250	0.000	1	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)2(CCHH)(H)	C(C[6]C[6]2H)(COO)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)2(CCHH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(COO)(H)2	H(C[6]C[6]2C)	105.2540	0.096	2	105.2540	0.009	2	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CCH)(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(C[6]C[6]2H)(CCH)(H)2	H(C[6]C[6]2C)	107.4200	0.000	1	107.4200	0.000	1	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CCN)(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(C[6]C[6]2H)(CCN)(H)2	H(C[6]C[6]2C)	106.9070	0.201	3	106.9070	0.040	3	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CC[6a]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<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2H)(CC[6a]O)(H)2	H(C[6]C[6]2C)	107.2220	0.000	1	107.2220	0.000	1	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CN[5]O)(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(C[6]C[6]2H)(CN[5]O)(H)2	H(C[6]C[6]2C)	108.4910	0.000	1	108.4910	0.000	1	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H)	C(C[6]C[6]2H)(CCO)(H)2	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(C[6]C[6]2H)(CCO)(H)2	H(C[6]C[6]2C)	108.4730	0.000	1	108.4730	0.000	1	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H)	C(C[6]C[6]2H)(CC[6]C)(H)2	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(C[6]C[6]2H)(CC[6]C)(H)2	H(C[6]C[6]2C)	107.7720	0.225	2	107.7720	0.051	2	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H)	C(C[6]C[6]2H)(COO)(H)2	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(C[6]C[6]2H)(COO)(H)2	H(C[6]C[6]2C)	107.6510	0.000	1	107.7425	0.017	2	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H)	C(C[6]C[6]2H)(COO)(H)2	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(C[6]C[6]2H)(COO)(H)2	H(C[6]C[6]2C)	107.8340	0.000	1	107.7425	0.017	2	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(COO)(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(C[6]C[6]2H)(COO)(H)2	H(C[6]C[6]2C)	107.5430	0.000	1	107.5430	0.000	1	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]S[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CC[6a]O)(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(C[6]C[6]2H)(CC[6a]O)(H)2	H(C[6]C[6]2C)	107.4830	0.000	1	107.4830	0.000	1	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(COO)(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(C[6]C[6]2H)(COO)(H)2	H(C[6]C[6]2C)	106.8590	0.000	1	106.8590	0.000	1	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]N[6]CC)(CCHH)(H)	C(C[6]C[6]2H)(CCO)(H)2	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(C[6]C[6]2H)(CCO)(H)2	H(C[6]C[6]2C)	106.4690	0.000	1	106.4690	0.000	1	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CCO)(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(C[6]C[6]2H)(CCO)(H)2	H(C[6]C[6]2C)	108.1420	0.000	1	108.1420	0.000	1	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CC[6a]O)(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(C[6]C[6]2H)(CC[6a]O)(H)2	H(C[6]C[6]2C)	108.1710	0.000	1	108.1710	0.000	1	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CCHH)(H)	C(C[6]C[6]2H)(CCH)(H)2	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(C[6]C[6]2H)(CCH)(H)2	H(C[6]C[6]2C)	106.0380	0.000	1	106.3220	0.145	4	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CCHH)(H)	C(C[6]C[6]2H)(CCH)(H)2	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(C[6]C[6]2H)(CCH)(H)2	H(C[6]C[6]2C)	106.4167	0.405	3	106.3220	0.145	4	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]N[6]CH)(CCHH)(H)	C(C[6]C[6]2H)(CHH)(H)2	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(C[6]C[6]2H)(CHH)(H)2	H(C[6]C[6]2C)	105.6720	0.000	1	105.6720	0.000	1	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CS)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CCO)(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(C[6]C[6]2H)(CCO)(H)2	H(C[6]C[6]2C)	106.9235	0.124	2	107.2612	0.099	6	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CS)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CCO)(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(C[6]C[6]2H)(CCO)(H)2	H(C[6]C[6]2C)	107.4300	0.212	4	107.2612	0.099	6	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCHH)(H)	C(C[6]C[6]2H)(COO)(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(C[6]C[6]2H)(COO)(H)2	H(C[6]C[6]2C)	108.1790	0.000	1	108.1790	0.000	1	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(H)	C(C[6]C[6]2H)(CCH)(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(C[6]C[6]2H)(CCH)(H)2	H(C[6]C[6]2C)	106.2080	0.000	1	106.2080	0.000	1	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(CCHH)(H)	C(C[6]C[6]2H)(CCO)(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(C[6]C[6]2H)(CCO)(H)2	H(C[6]C[6]2C)	112.1270	0.000	1	112.1270	0.000	1	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CHH)(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(C[6]C[6]2H)(CHH)(H)2	H(C[6]C[6]2C)	108.6750	0.000	1	108.6750	0.000	1	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHH)(H)	C(C[6]C[6]2H)(CCO)(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(C[6]C[6]2H)(CCO)(H)2	H(C[6]C[6]2C)	109.2990	0.000	1	109.2990	0.000	1	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHH)(H)	C(C[6]C[6]2H)(CC[5a]O)(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(C[6]C[6]2H)(CC[5a]O)(H)2	H(C[6]C[6]2C)	107.5800	0.000	1	107.5800	0.000	1	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHH)(H)	C(C[6]C[6]2H)(CC[6a]O)(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(C[6]C[6]2H)(CC[6a]O)(H)2	H(C[6]C[6]2C)	107.2310	0.564	3	107.2310	0.318	3	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHH)(H)	C(C[6]C[6]2H)(CNO)(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(C[6]C[6]2H)(CNO)(H)2	H(C[6]C[6]2C)	107.4600	0.000	1	107.4600	0.000	1	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHH)(H)	C(C[6]C[6]2H)(CN[6]O)(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(C[6]C[6]2H)(CN[6]O)(H)2	H(C[6]C[6]2C)	108.0995	0.097	2	108.0995	0.009	2	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHH)(H)	C(C[6]C[6]2H)(COO)(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(C[6]C[6]2H)(COO)(H)2	H(C[6]C[6]2C)	108.0670	0.000	1	107.5772	1.846	4	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHH)(H)	C(C[6]C[6]2H)(COO)(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(C[6]C[6]2H)(COO)(H)2	H(C[6]C[6]2C)	108.4510	0.000	1	107.5772	1.846	4	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHH)(H)	C(C[6]C[6]2H)(COO)(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(C[6]C[6]2H)(COO)(H)2	H(C[6]C[6]2C)	108.2380	0.000	1	107.5772	1.846	4	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHH)(H)	C(C[6]C[6]2H)(COO)(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(C[6]C[6]2H)(COO)(H)2	H(C[6]C[6]2C)	105.5530	0.000	1	107.5772	1.846	4	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(COO)(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(C[6]C[6]2H)(COO)(H)2	H(C[6]C[6]2C)	109.5320	0.000	1	109.5320	0.000	1	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]PtC)(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6]2H)(CNO)(H)2	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(C[6]C[6]2H)(CNO)(H)2	H(C[6]C[6]2C)	106.5940	0.000	1	106.5940	0.000	1	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HN)(CCHH)(H)	C(C[6]C[6]2H)(COO)(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(C[6]C[6]2H)(COO)(H)2	H(C[6]C[6]2C)	108.5190	0.000	1	108.5190	0.000	1	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CCH)(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(C[6]C[6]2H)(CCH)(H)2	H(C[6]C[6]2C)	106.5420	0.000	1	106.5420	0.000	1	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6]2H)(COO)(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(C[6]C[6]2H)(COO)(H)2	H(C[6]C[6]2C)	107.3660	0.011	2	107.3660	0.000	2	106.9804	1.715	113	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:O-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHO)(H)	C(C[6]C[6]2H)(CC[6a]O)(H)(O)	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(C[6]C[6]2H)(CC[6a]O)(H)(O)	H(C[6]C[6]2C)	106.4900	0.000	1	106.4900	0.000	1	106.4900	0.000	1	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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[5,6]CH)(C[6]C[6]HH)(CC[6]HH)(H)	C(C[6]C[6]2H)(C[6]C[6]2)(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(C[6]C[6]2H)(C[6]C[6]2)(H)2	H(C[6]C[6]2C)	108.1747	0.415	3	108.1747	0.172	3	106.9905	5.724	4	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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(C[6]C[6]2H)(C[6]C[6]2)(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(C[6]C[6]2H)(C[6]C[6]2)(H)2	H(C[6]C[6]2C)	103.4380	0.000	1	103.4380	0.000	1	106.9905	5.724	4	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(CHHN)(H)	C(C[6]C[6]2H)(NHS)(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(C[6]C[6]2H)(NHS)(H)2	H(C[6]C[6]2C)	107.5760	0.000	1	107.5760	0.000	1	107.8637	0.914	43	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CHHN)(H)	C(C[6]C[6]2H)(NCH)(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(C[6]C[6]2H)(NCH)(H)2	H(C[6]C[6]2C)	107.4390	0.000	1	107.4390	0.000	1	107.8637	0.914	43	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CHHN)(H)	C(C[6]C[6]2H)(NCS)(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(C[6]C[6]2H)(NCS)(H)2	H(C[6]C[6]2C)	108.2685	0.887	2	108.2685	0.788	2	107.8637	0.914	43	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CO)(C[6]O[6]HH)(CHHN)(H)	C(C[6]C[6]2H)(NCC)(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(C[6]C[6]2H)(NCC)(H)2	H(C[6]C[6]2C)	107.9275	0.309	2	107.9275	0.095	2	107.8637	0.914	43	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CHHN)(H)	C(C[6]C[6]2H)(NOO)(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(C[6]C[6]2H)(NOO)(H)2	H(C[6]C[6]2C)	108.0260	0.000	1	108.0260	0.000	1	107.8637	0.914	43	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)2(CHHN)(H)	C(C[6]C[6]2H)(NOO)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)2(CHHN)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(NOO)(H)2	H(C[6]C[6]2C)	105.4120	0.000	1	105.4120	0.000	1	107.8637	0.914	43	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHN)(H)	C(C[6]C[6]2H)(NCC)(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(C[6]C[6]2H)(NCC)(H)2	H(C[6]C[6]2C)	107.9220	0.000	1	107.9220	0.000	1	107.8637	0.914	43	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHN)(H)	C(C[6]C[6]2H)(NCH)(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(C[6]C[6]2H)(NCH)(H)2	H(C[6]C[6]2C)	106.9264	0.857	5	106.9264	0.735	5	107.8637	0.914	43	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHN)(H)	C(C[6]C[6]2H)(NOO)(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(C[6]C[6]2H)(NOO)(H)2	H(C[6]C[6]2C)	107.2660	0.000	1	107.2660	0.000	1	107.8637	0.914	43	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHN)(H)	C(C[6]C[6]2H)(NCC)(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(C[6]C[6]2H)(NCC)(H)2	H(C[6]C[6]2C)	108.5156	0.830	5	108.2724	0.516	8	107.8637	0.914	43	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHN)(H)	C(C[6]C[6]2H)(NCC)(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(C[6]C[6]2H)(NCC)(H)2	H(C[6]C[6]2C)	107.8670	0.183	3	108.2724	0.516	8	107.8637	0.914	43	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CHHN)(H)	C(C[6]C[6]2H)(NCC)(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(C[6]C[6]2H)(NCC)(H)2	H(C[6]C[6]2C)	108.0068	0.269	5	108.4056	0.514	7	107.8637	0.914	43	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CHHN)(H)	C(C[6]C[6]2H)(NCC)(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(C[6]C[6]2H)(NCC)(H)2	H(C[6]C[6]2C)	109.3320	0.000	1	108.4056	0.514	7	107.8637	0.914	43	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CHHN)(H)	C(C[6]C[6]2H)(NCC)(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(C[6]C[6]2H)(NCC)(H)2	H(C[6]C[6]2C)	109.4730	0.000	1	108.4056	0.514	7	107.8637	0.914	43	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CHHN)(H)	C(C[6]C[6]2H)(NCH)(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(C[6]C[6]2H)(NCH)(H)2	H(C[6]C[6]2C)	107.1217	1.386	3	107.6116	1.429	5	107.8637	0.914	43	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CHHN)(H)	C(C[6]C[6]2H)(NCH)(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(C[6]C[6]2H)(NCH)(H)2	H(C[6]C[6]2C)	108.3465	0.279	2	107.6116	1.429	5	107.8637	0.914	43	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CHHN)(H)	C(C[6]C[6]2H)(NHS)(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(C[6]C[6]2H)(NHS)(H)2	H(C[6]C[6]2C)	107.1387	1.088	3	107.1387	1.183	3	107.8637	0.914	43	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CHHN)(H)	C(C[6]C[6]2H)(NOO)(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(C[6]C[6]2H)(NOO)(H)2	H(C[6]C[6]2C)	108.8350	0.000	1	108.5560	0.060	3	107.8637	0.914	43	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CHHN)(H)	C(C[6]C[6]2H)(NOO)(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(C[6]C[6]2H)(NOO)(H)2	H(C[6]C[6]2C)	108.4165	0.062	2	108.5560	0.060	3	107.8637	0.914	43	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CHHN)(H)	C(C[6]C[6]2H)(NOO)(H)2	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(C[6]C[6]2H)(NOO)(H)2	H(C[6]C[6]2C)	108.2700	0.000	1	108.2700	0.000	1	107.8637	0.914	43	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]C[5a]H)(C[6]C[6]CH)(CHHN)(H)	C(C[6]C[6]2H)(NCH)(H)2	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(C[6]C[6]2H)(NCH)(H)2	H(C[6]C[6]2C)	109.0450	0.000	1	109.0450	0.000	1	107.8637	0.914	43	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[5]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[5]HH)(H)	C(C[6]C[6]2H)(N[5]C[5]2)(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(C[6]C[6]2H)(N[5]C[5]2)(H)2	H(C[6]C[6]2C)	108.4440	0.000	1	108.4440	0.000	1	108.1147	0.081	10	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[5]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CN[5]HH)(H)	C(C[6]C[6]2H)(N[5]C[5]2)(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(C[6]C[6]2H)(N[5]C[5]2)(H)2	H(C[6]C[6]2C)	108.0781	0.276	9	108.0781	0.076	9	108.1147	0.081	10	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]N[6]H)(COO)(H)2	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(C[6]C[6]N[6]H)(COO)(H)2	H(C[6]C[6]N[6]C)	108.7775	0.957	2	108.7775	0.915	2	108.7775	0.915	2	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]HH)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	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(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	107.9970	0.000	1	107.9970	0.000	1	106.0705	7.423	2	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6a]-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(C[6]C[6]N[6]H)(C[6a]C[6a]2)(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(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]N[6]C)	104.1440	0.000	1	104.1440	0.000	1	106.0705	7.423	2	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:S[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6]OO)(CC[6a]HH)(H)	C(C[6]C[6]S[6]H)(C[6a]C[6a]2)(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(C[6]C[6]S[6]H)(C[6a]C[6a]2)(H)2	H(C[6]C[6]S[6]C)	109.1440	0.000	1	109.1440	0.000	1	109.1440	0.000	1	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]AlC)(C[6]C[6]HH)(CHHN)(H)	C(C[6]C[6]N[6]H)(NAlC)(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(C[6]C[6]N[6]H)(NAlC)(H)2	H(C[6]C[6]N[6]C)	106.8780	0.000	1	106.8780	0.000	1	106.6630	1.516	5	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]AlH)(C[6]C[6]HH)(CHHN)(H)	C(C[6]C[6]N[6]H)(NAlC)(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(C[6]C[6]N[6]H)(NAlC)(H)2	H(C[6]C[6]N[6]C)	106.7513	1.698	3	106.7513	2.882	3	106.6630	1.516	5	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]FeC)(C[6]C[6]HH)(CHHN)(H)	C(C[6]C[6]N[6]H)(NFeC)(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(C[6]C[6]N[6]H)(NFeC)(H)2	H(C[6]C[6]N[6]C)	106.1830	0.000	1	106.1830	0.000	1	106.6630	1.516	5	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:S-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]NiC)(C[6]N[6]HH)(CHHS)(H)	C(C[6]C[6]N[6]H)(SNi2)(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(C[6]C[6]N[6]H)(SNi2)(H)2	H(C[6]C[6]N[6]C)	108.9756	0.655	5	108.9756	0.429	5	109.1814	0.367	15	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:S-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]NiC)(C[6]N[6]HH)(CHHS)(H)	C(C[6]C[6]N[6]H)(SNiC)(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(C[6]C[6]N[6]H)(SNiC)(H)2	H(C[6]C[6]N[6]C)	110.0790	0.000	1	109.2843	0.345	10	109.1814	0.367	15	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:1:1:	4:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:S-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]NiC)(C[6]N[6]HH)(CHHS)(H)	C(C[6]C[6]N[6]H)(SNiC)(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(C[6]C[6]N[6]H)(SNiC)(H)2	H(C[6]C[6]N[6]C)	109.1960	0.548	9	109.2843	0.345	10	109.1814	0.367	15	107.1191	1.953	296	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHO)(H)	C(C[6]C[5,6]C[6]H)(CCH)(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]HH)(CCHO)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C(C[6]C[5,6]C[6]H)(CCH)(OC)(H)	H(C[6]C[5,6]C[6]C)	106.1260	0.000	1	106.1260	0.000	1	106.1260	0.000	1	106.6045	2.124	21	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:S-2: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(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(SC[6a])(H)	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(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(SC[6a])(H)	H(C[6]C[5,6]C[6]C)	108.8920	0.226	2	108.8920	0.051	2	108.8920	0.051	2	106.6045	2.124	21	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHO)(H)	C(C[6]C[6,6]C[6]H)(COO)(OC)(H)	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(C[6]C[6,6]C[6]H)(COO)(OC)(H)	H(C[6]C[6,6]C[6]C)	104.7230	0.454	2	104.7230	0.206	2	104.8846	0.148	5	106.6045	2.124	21	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHO)(H)	C(C[6]C[6,6]C[6]H)(COO)(OH)(H)	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(C[6]C[6,6]C[6]H)(COO)(OH)(H)	H(C[6]C[6,6]C[6]C)	104.6490	0.000	1	104.9923	0.150	3	104.8846	0.148	5	106.6045	2.124	21	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHO)(H)	C(C[6]C[6,6]C[6]H)(COO)(OH)(H)	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(C[6]C[6,6]C[6]H)(COO)(OH)(H)	H(C[6]C[6,6]C[6]C)	105.1640	0.351	2	104.9923	0.150	3	104.8846	0.148	5	106.6045	2.124	21	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:C-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCCH)(H)	C(C[6]C[6]2H)(COO)(CN)(H)	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(C[6]C[6]2H)(COO)(CN)(H)	H(C[6]C[6]2C)	107.2870	0.000	1	107.2870	0.000	1	107.2870	0.000	1	106.6045	2.124	21	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHN)(H)	C(C[6]C[6]2H)(CCH)(NS)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHN)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CCH)(NS)(H)	H(C[6]C[6]2C)	106.1205	1.568	2	106.1205	2.458	2	106.1205	2.458	2	106.6045	2.124	21	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[5a]O[6]O)(C[6]C[6]CH)(CCHO)(H)	C(C[6]C[6]2H)(CCH)(OSi)(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(C[6]C[6]2H)(CCH)(OSi)(H)	H(C[6]C[6]2C)	105.8625	0.054	2	105.8625	0.003	2	106.9229	1.043	9	106.6045	2.124	21	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHO)(H)	C(C[6]C[6]2H)(COO)(OC)(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(C[6]C[6]2H)(COO)(OC)(H)	H(C[6]C[6]2C)	107.6430	0.000	1	107.6430	0.000	1	106.9229	1.043	9	106.6045	2.124	21	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]CO)(CCHO)(H)	C(C[6]C[6]2H)(CCH)(OH)(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(C[6]C[6]2H)(CCH)(OH)(H)	H(C[6]C[6]2C)	105.3900	0.000	1	105.3900	0.000	1	106.9229	1.043	9	106.6045	2.124	21	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHO)(H)	C(C[6]C[6]2H)(CCH)(OC)(H)	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(C[6]C[6]2H)(CCH)(OC)(H)	H(C[6]C[6]2C)	108.1750	0.000	1	108.1750	0.000	1	106.9229	1.043	9	106.6045	2.124	21	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHO)(H)	C(C[6]C[6]2H)(CC[6a]C)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHO)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CC[6a]C)(OH)(H)	H(C[6]C[6]2C)	107.3432	0.563	4	107.3432	0.317	4	106.9229	1.043	9	106.6045	2.124	21	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-3:C-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHN)(H)	C(C[6]C[6]2H)(NCC)(CC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHN)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(NCC)(CC)(H)	H(C[6]C[6]2C)	108.5270	0.000	1	108.5270	0.000	1	108.5270	0.000	1	106.6045	2.124	21	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-3:C-3:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[5,6]C[6]H)(COO)2(H)	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(C[6]C[5,6]C[6]H)(COO)2(H)	H(C[6]C[5,6]C[6]C)	108.5290	0.000	1	108.5290	0.000	1	108.5290	0.000	1	108.0724	4.093	13	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCCH)(H)	C(C[6]C[6]2H)(COO)2(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(C[6]C[6]2H)(COO)2(H)	H(C[6]C[6]2C)	107.6640	0.000	1	107.6640	0.000	1	106.9270	0.499	3	108.0724	4.093	13	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(CCCH)(H)	C(C[6]C[6]2H)(COO)2(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)2(CCCH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(COO)2(H)	H(C[6]C[6]2C)	106.2560	0.000	1	106.2560	0.000	1	106.9270	0.499	3	108.0724	4.093	13	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(CCCH)(H)	C(C[6]C[6]2H)(COO)2(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(C[6]C[6]2H)(COO)2(H)	H(C[6]C[6]2C)	106.8610	0.000	1	106.8610	0.000	1	106.9270	0.499	3	108.0724	4.093	13	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHN)(H)	C(C[6]C[6]2H)(CCH)(NSS)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHN)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CCH)(NSS)(H)	H(C[6]C[6]2C)	107.4855	1.425	2	107.4855	2.030	2	107.7336	0.789	7	108.0724	4.093	13	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHN)(H)	C(C[6]C[6]2H)(CNO)(NCC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHN)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CNO)(NCC)(H)	H(C[6]C[6]2C)	108.5210	0.000	1	108.5210	0.000	1	107.7336	0.789	7	108.0724	4.093	13	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHN)(H)	C(C[6]C[6]2H)(COO)(NCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHN)(H){1|O<2>,4|H<1>}	C(C[6]C[6]2H)(COO)(NCH)(H)	H(C[6]C[6]2C)	108.6240	0.000	1	108.6240	0.000	1	107.7336	0.789	7	108.0724	4.093	13	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CCHN)(H)	C(C[6]C[6]2H)(COO)(NCH)(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(C[6]C[6]2H)(COO)(NCH)(H)	H(C[6]C[6]2C)	107.3397	0.592	3	107.3397	0.351	3	107.7336	0.789	7	108.0724	4.093	13	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-3:B-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CBHN)(H)	C(C[6]C[6]2H)(NC[6a]Pt)(BC[6]O)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CBHN)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(NC[6a]Pt)(BC[6]O)(H)	H(C[6]C[6]2C)	107.2750	0.000	1	107.2750	0.000	1	107.2750	0.000	1	108.0724	4.093	13	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:3:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CC[6a]CH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(COO)(H)	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(C[6]C[6]N[6]H)(C[6a]C[6a]2)(COO)(H)	H(C[6]C[6]N[6]C)	114.2210	0.000	1	114.2210	0.000	1	114.2210	0.000	1	108.0724	4.093	13	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-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(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(CH3)(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(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(CH3)(H)	H(C[6]C[6,6]C[6]C)	107.8420	0.000	1	107.8420	0.000	1	107.8420	0.000	1	107.8062	0.856	17	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:B[5]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CB[5]CH)(H)	C(C[6]C[6]2H)(B[5]O[5]2)(CCCH)(H)	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(C[6]C[6]2H)(B[5]O[5]2)(CCCH)(H)	H(C[6]C[6]2C)	108.5810	0.000	2	108.5810	0.000	2	108.5810	0.000	2	107.8062	0.856	17	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCCH)(H)	C(C[6]C[6]2H)(CC[5a]O)(CHHN)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCCH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CC[5a]O)(CHHN)(H)	H(C[6]C[6]2C)	107.7100	0.000	1	107.7100	0.000	1	107.6795	0.002	2	107.8062	0.856	17	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCCH)(H)	C(C[6]C[6]2H)(CC[6a]O)(CHHN)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCCH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CC[6a]O)(CHHN)(H)	H(C[6]C[6]2C)	107.6490	0.000	1	107.6490	0.000	1	107.6795	0.002	2	107.8062	0.856	17	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CoH)(C[6]C[6]HH)(CCHN)(H)	C(C[6]C[6]2H)(NCoC)(CH3)(H)	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(C[6]C[6]2H)(NCoC)(CH3)(H)	H(C[6]C[6]2C)	106.3400	0.000	1	106.3400	0.000	1	107.5787	1.611	8	107.8062	0.856	17	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHN)(H)	C(C[6]C[6]2H)(NC[6a]C)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHN)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(NC[6a]C)(CCHH)(H)	H(C[6]C[6]2C)	108.2140	0.000	1	108.2140	0.000	1	107.5787	1.611	8	107.8062	0.856	17	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHN)(H)	C(C[6]C[6]2H)(NC[6a]H)(CCHN)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHN)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(NC[6a]H)(CCHN)(H)	H(C[6]C[6]2C)	108.0220	0.000	1	108.0220	0.000	1	107.5787	1.611	8	107.8062	0.856	17	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHN)(H)	C(C[6]C[6]2H)(NCoC)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHN)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(NCoC)(CH3)(H)	H(C[6]C[6]2C)	107.6108	1.511	5	107.6108	2.285	5	107.5787	1.611	8	107.8062	0.856	17	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[5]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CN[5]CH)(H)	C(C[6]C[6]2H)(N[5]C[5]2)(CH3)(H)	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(C[6]C[6]2H)(N[5]C[5]2)(CH3)(H)	H(C[6]C[6]2C)	107.8830	0.000	1	107.8830	0.000	1	107.8830	0.000	1	107.8062	0.856	17	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CC[6a]CH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	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(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	H(C[6]C[6]N[6]C)	107.5580	0.000	1	107.5580	0.000	1	107.9433	0.353	3	107.8062	0.856	17	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CC[6a]CH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	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(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	H(C[6]C[6]N[6]C)	108.1360	0.696	2	108.1360	0.484	2	107.9433	0.353	3	107.8062	0.856	17	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	B[6]-4:P[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](B[6]C[6a]2N[6])(P[6]C[6a]2N[6])(CCHH)(H)	C(C[6]B[6]P[6]H)(CH3)(H)2	H(C[6]B[6]P[6]C)	C[6](B[6]C[6a]2N[6])(P[6]C[6a]2N[6])(CCHH)(H){1|N<2>,9|C<3>}	C(C[6]B[6]P[6]H)(CH3)(H)2	H(C[6]B[6]P[6]C)	103.0820	0.000	1	103.0820	0.000	1	103.0820	0.000	1	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[3,6]-4:C[6,6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	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(C[6]C[3,6]C[6,6]H)(CCHH)(H)2	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(C[6]C[3,6]C[6,6]H)(CCHH)(H)2	H(C[6]C[3,6]C[6,6]C)	106.1270	0.000	1	106.1270	0.000	1	106.1270	0.000	1	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6]N[6]CH)(CCHH)(H)	C(C[6]C[3,6]C[6]H)(CH3)(H)2	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(C[6]C[3,6]C[6]H)(CH3)(H)2	H(C[6]C[3,6]C[6]C)	106.0710	0.000	1	106.0710	0.000	1	107.3725	3.388	2	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-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(C[6]C[3,6]C[6]H)(CH3)(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(C[6]C[3,6]C[6]H)(CH3)(H)2	H(C[6]C[3,6]C[6]C)	108.6740	0.000	1	108.6740	0.000	1	107.3725	3.388	2	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[3,6]-4:N[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]C)(N[6]C[6]CH)(CCHH)(H)	C(C[6]C[3,6]N[6]H)(CH3)(H)2	H(C[6]C[3,6]N[6]C)	C[6](C[3,6]C[3,6]O[3]C)(N[6]C[6]CH)(CCHH)(H){2|C<4>,2|H<1>}	C(C[6]C[3,6]N[6]H)(CH3)(H)2	H(C[6]C[3,6]N[6]C)	107.4540	0.000	1	107.4540	0.000	1	107.4540	0.000	1	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[3x6]C[6]H)(CC[6]HH)(H)2	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(C[6]C[3x6]C[6]H)(CC[6]HH)(H)2	H(C[6]C[3x6]C[6]C)	106.6300	0.000	1	106.7834	0.392	30	106.7834	0.392	30	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[3x6]C[6]H)(CC[6]HH)(H)2	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(C[6]C[3x6]C[6]H)(CC[6]HH)(H)2	H(C[6]C[3x6]C[6]C)	106.9071	0.200	16	106.7834	0.392	30	106.7834	0.392	30	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[3x6]C[6]H)(CC[6]HH)(H)2	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(C[6]C[3x6]C[6]H)(CC[6]HH)(H)2	H(C[6]C[3x6]C[6]C)	106.9140	0.000	1	106.7834	0.392	30	106.7834	0.392	30	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[3x6]C[6]H)(CC[6]HH)(H)2	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(C[6]C[3x6]C[6]H)(CC[6]HH)(H)2	H(C[6]C[3x6]C[6]C)	106.6204	0.960	12	106.7834	0.392	30	106.7834	0.392	30	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-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)(CCHH)(H)	C(C[6]C[5,5,6]C[6]H)(CH3)(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(C[6]C[5,5,6]C[6]H)(CH3)(H)2	H(C[6]C[5,5,6]C[6]C)	107.5540	0.000	1	107.5540	0.000	1	107.5540	0.000	1	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-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]HO)(CCHH)(H)	C(C[6]C[5,6,6]C[6]H)(CCHH)(H)2	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(C[6]C[5,6,6]C[6]H)(CCHH)(H)2	H(C[6]C[5,6,6]C[6]C)	107.4920	0.000	1	107.4920	0.000	1	107.4920	0.000	1	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]O[5]H)(C[5,6]C[5,6]2H)(CCHH)(H)	C(C[6]C[5,6]2H)(CH3)(H)2	H(C[6]C[5,6]2C)	C[6](C[5,6]N[5,6]O[5]H)(C[5,6]C[5,6]2H)(CCHH)(H){1|C<3>,2|H<1>,5|C<4>}	C(C[6]C[5,6]2H)(CH3)(H)2	H(C[6]C[5,6]2C)	107.6440	0.000	1	107.6440	0.000	1	107.6440	0.000	1	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4: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(C[6]C[5,6]C[6]H)(CC[5]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]N[6]HH)(CCHH)(H){1|C<3>,3|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]H)(CC[5]HH)(H)2	H(C[6]C[5,6]C[6]C)	105.5940	0.123	2	105.5940	0.015	2	107.0247	1.200	58	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1: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(C[6]C[5,6]C[6]H)(CCHH)(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]CH)(CCHH)(H){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	H(C[6]C[5,6]C[6]C)	108.2270	0.000	1	108.2270	0.000	1	107.0247	1.200	58	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4: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(C[6]C[5,6]C[6]H)(CCHH)(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(C[6]C[5,6]C[6]H)(CCHH)(H)2	H(C[6]C[5,6]C[6]C)	105.2860	0.860	2	105.2860	0.739	2	107.0247	1.200	58	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-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(C[6]C[5,6]C[6]H)(CC[5]HH)(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(C[6]C[5,6]C[6]H)(CC[5]HH)(H)2	H(C[6]C[5,6]C[6]C)	105.5860	0.000	1	105.5860	0.000	1	107.0247	1.200	58	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CC[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]CH)(CCHH)(H){1|O<1>,2|H<1>,4|C<4>}	C(C[6]C[5,6]C[6]H)(CC[6]HH)(H)2	H(C[6]C[5,6]C[6]C)	106.3960	0.000	1	106.4174	0.017	5	107.0247	1.200	58	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CC[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]CH)(CCHH)(H){4|C<4>,4|H<1>}	C(C[6]C[5,6]C[6]H)(CC[6]HH)(H)2	H(C[6]C[5,6]C[6]C)	106.4228	0.151	4	106.4174	0.017	5	107.0247	1.200	58	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-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(C[6]C[5,6]C[6]H)(CH3)(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(C[6]C[5,6]C[6]H)(CH3)(H)2	H(C[6]C[5,6]C[6]C)	107.1180	0.499	3	107.1180	0.249	3	107.0247	1.200	58	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CCHH)(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]CC)(CCHH)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	H(C[6]C[5,6]C[6]C)	107.2065	0.366	2	107.2065	0.134	2	107.0247	1.200	58	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CC[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]CO)(CCHH)(H){4|C<4>,4|H<1>}	C(C[6]C[5,6]C[6]H)(CC[6]HH)(H)2	H(C[6]C[5,6]C[6]C)	106.5380	0.000	1	106.5380	0.000	1	107.0247	1.200	58	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CC[6a]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]CO)(CCHH)(H){4|C<4>,4|H<1>}	C(C[6]C[5,6]C[6]H)(CC[6a]HH)(H)2	H(C[6]C[5,6]C[6]C)	107.3220	0.000	1	107.3220	0.000	1	107.0247	1.200	58	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-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(C[6]C[5,6]C[6]H)(CCHH)(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(C[6]C[5,6]C[6]H)(CCHH)(H)2	H(C[6]C[5,6]C[6]C)	106.3620	0.373	2	106.3620	0.139	2	107.0247	1.200	58	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-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(C[6]C[5,6]C[6]H)(CCHH)(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(C[6]C[5,6]C[6]H)(CCHH)(H)2	H(C[6]C[5,6]C[6]C)	108.0960	0.000	2	108.0960	0.000	2	107.0247	1.200	58	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1: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(C[6]C[5,6]C[6]H)(CCHH)(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[5,6]CH)(CCHH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	H(C[6]C[5,6]C[6]C)	107.9020	0.000	2	107.3403	0.946	3	107.0247	1.200	58	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1: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(C[6]C[5,6]C[6]H)(CCHH)(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[5,6]CH)(CCHH)(H){1|O<2>,2|H<1>,4|C<4>}	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	H(C[6]C[5,6]C[6]C)	106.2170	0.000	1	107.3403	0.946	3	107.0247	1.200	58	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-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(C[6]C[5,6]C[6]H)(CCHH)(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(C[6]C[5,6]C[6]H)(CCHH)(H)2	H(C[6]C[5,6]C[6]C)	105.4270	0.000	1	105.4270	0.000	1	107.0247	1.200	58	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CCHH)(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]CH)(CCHH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	H(C[6]C[5,6]C[6]C)	106.1730	0.000	1	106.1730	0.000	1	107.0247	1.200	58	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-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(C[6]C[5,6]C[6]H)(CCHH)(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(C[6]C[5,6]C[6]H)(CCHH)(H)2	H(C[6]C[5,6]C[6]C)	107.5140	0.000	1	107.5140	0.000	1	107.0247	1.200	58	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CCHH)(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]CH)(CCHH)(H){1|C<3>,2|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	H(C[6]C[5,6]C[6]C)	106.5420	0.000	1	106.5420	0.000	1	107.0247	1.200	58	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1: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(C[6]C[5,6]C[6]H)(CH3)(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[5,6]CH)(CCHH)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]H)(CH3)(H)2	H(C[6]C[5,6]C[6]C)	107.1662	0.417	4	107.1662	0.174	4	107.0247	1.200	58	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1: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(C[6]C[5,6]C[6]H)(CH3)(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[5a,6]CH)(CCHH)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[5,6]C[6]H)(CH3)(H)2	H(C[6]C[5,6]C[6]C)	105.5390	0.000	1	105.5390	0.000	1	107.0247	1.200	58	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CCHH)(H)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(C[6]C[5,6]C[6]H)(CCHH)(H)2	H(C[6]C[5,6]C[6]C)	105.0590	0.000	1	105.0590	0.000	1	107.0247	1.200	58	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CCHH)(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]CH)(CCHH)(H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	H(C[6]C[5,6]C[6]C)	107.4120	0.578	2	107.8573	1.161	12	107.0247	1.200	58	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CCHH)(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]CH)(CCHH)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	H(C[6]C[5,6]C[6]C)	108.7820	1.043	4	107.8573	1.161	12	107.0247	1.200	58	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CCHH)(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]CH)(CCHH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	H(C[6]C[5,6]C[6]C)	107.3893	0.899	6	107.8573	1.161	12	107.0247	1.200	58	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-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(C[6]C[5,6]C[6]H)(CCHH)(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(C[6]C[5,6]C[6]H)(CCHH)(H)2	H(C[6]C[5,6]C[6]C)	107.7720	0.000	1	107.2725	0.499	2	107.0247	1.200	58	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-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(C[6]C[5,6]C[6]H)(CCHH)(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(C[6]C[5,6]C[6]H)(CCHH)(H)2	H(C[6]C[5,6]C[6]C)	106.7730	0.000	1	107.2725	0.499	2	107.0247	1.200	58	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CC[3x6]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]CC)(CCHH)(H){3|C<4>,6|H<1>}	C(C[6]C[5,6]C[6]H)(CC[3x6]HH)(H)2	H(C[6]C[5,6]C[6]C)	106.6850	0.000	1	106.6850	0.000	1	107.0247	1.200	58	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CC[5,6]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]CC)(CCHH)(H){3|C<4>,6|H<1>}	C(C[6]C[5,6]C[6]H)(CC[5,6]HH)(H)2	H(C[6]C[5,6]C[6]C)	107.7080	0.000	1	107.7080	0.000	1	107.0247	1.200	58	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-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(C[6]C[5,6]C[6]H)(CCHH)(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(C[6]C[5,6]C[6]H)(CCHH)(H)2	H(C[6]C[5,6]C[6]C)	106.4240	0.000	1	106.4240	0.000	1	107.0247	1.200	58	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CCHH)(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]CC)(CCHH)(H){3|C<4>,4|H<1>}	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	H(C[6]C[5,6]C[6]C)	104.9490	0.000	1	104.9490	0.000	1	107.0247	1.200	58	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-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(C[6]C[5,6]C[6]H)(CH3)(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(C[6]C[5,6]C[6]H)(CH3)(H)2	H(C[6]C[5,6]C[6]C)	107.5180	0.079	2	107.5180	0.006	2	107.0247	1.200	58	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]O[5]H)(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CH3)(H)2	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(C[6]C[5,6]C[6]H)(CH3)(H)2	H(C[6]C[5,6]C[6]C)	107.4700	0.000	2	107.4700	0.000	2	107.0247	1.200	58	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-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(C[6]C[5,6]C[6]H)(CCHH)(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(C[6]C[5,6]C[6]H)(CCHH)(H)2	H(C[6]C[5,6]C[6]C)	109.7160	0.000	1	109.7160	0.000	1	107.0247	1.200	58	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-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(C[6]C[5,6]C[6]H)(NCCH)(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(C[6]C[5,6]C[6]H)(NCCH)(H)2	H(C[6]C[5,6]C[6]C)	107.6690	0.000	1	107.6690	0.000	1	107.6690	0.000	1	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C-4:H-1:	C[6]-4:C-4:H-1: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(C[6]C[5,6]C[6,6]H)(CCHH)(H)2	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(C[6]C[5,6]C[6,6]H)(CCHH)(H)2	H(C[6]C[5,6]C[6,6]C)	107.1120	0.000	1	107.1120	0.000	1	107.1120	0.000	1	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CCHH)(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]CH)(CCHH)(H){1|O<1>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	H(C[6]C[6,6]C[6]C)	107.1410	0.000	1	107.1410	0.000	1	106.3496	1.990	59	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CC[5]HH)(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]CC)(CCHH)(H){1|O<1>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(CC[5]HH)(H)2	H(C[6]C[6,6]C[6]C)	108.0650	0.000	1	108.0650	0.000	1	106.3496	1.990	59	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-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(C[6]C[6,6]C[6]H)(CC[5]HH)(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(C[6]C[6,6]C[6]H)(CC[5]HH)(H)2	H(C[6]C[6,6]C[6]C)	104.9640	0.000	1	104.7947	0.250	3	106.3496	1.990	59	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-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(C[6]C[6,6]C[6]H)(CC[5]HH)(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(C[6]C[6,6]C[6]H)(CC[5]HH)(H)2	H(C[6]C[6,6]C[6]C)	105.1880	0.000	1	104.7947	0.250	3	106.3496	1.990	59	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-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(C[6]C[6,6]C[6]H)(CC[5]HH)(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(C[6]C[6,6]C[6]H)(CC[5]HH)(H)2	H(C[6]C[6,6]C[6]C)	104.2320	0.000	1	104.7947	0.250	3	106.3496	1.990	59	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1: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(C[6]C[6,6]C[6]H)(CCHH)(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]C[6]CH)(CCHH)(H){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	H(C[6]C[6,6]C[6]C)	107.3450	0.000	1	108.1630	1.338	2	106.3496	1.990	59	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1: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(C[6]C[6,6]C[6]H)(CCHH)(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]C[6]CH)(CCHH)(H){4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	H(C[6]C[6,6]C[6]C)	108.9810	0.000	1	108.1630	1.338	2	106.3496	1.990	59	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-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(C[6]C[6,6]C[6]H)(CC[5]HH)(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(C[6]C[6,6]C[6]H)(CC[5]HH)(H)2	H(C[6]C[6,6]C[6]C)	104.6300	0.000	1	104.6300	0.000	1	106.3496	1.990	59	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-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(C[6]C[6,6]C[6]H)(CC[6a]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[6,6]HH)(CCHH)(H){1|C<3>,2|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]H)(CC[6a]HH)(H)2	H(C[6]C[6,6]C[6]C)	106.3930	0.000	1	106.3930	0.000	1	106.3496	1.990	59	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-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(C[6]C[6,6]C[6]H)(CCHH)(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(C[6]C[6,6]C[6]H)(CCHH)(H)2	H(C[6]C[6,6]C[6]C)	107.7200	0.000	1	107.7200	0.000	1	106.3496	1.990	59	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4: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(C[6]C[6,6]C[6]H)(CC[5]HH)(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(C[6]C[6,6]C[6]H)(CC[5]HH)(H)2	H(C[6]C[6,6]C[6]C)	105.0270	0.000	1	105.0270	0.000	1	106.3496	1.990	59	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1: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(C[6]C[6,6]C[6]H)(CH3)(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]CH)(CCHH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6]C[6]H)(CH3)(H)2	H(C[6]C[6,6]C[6]C)	106.4560	0.000	1	106.4560	0.000	1	106.3496	1.990	59	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-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(C[6]C[6,6]C[6]H)(CH3)(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(C[6]C[6,6]C[6]H)(CH3)(H)2	H(C[6]C[6,6]C[6]C)	107.6680	0.447	2	107.6680	0.200	2	106.3496	1.990	59	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1: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(C[6]C[6,6]C[6]H)(CCHH)(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[6a]C[6]H)(CCHH)(H){1|H<1>,2|C<4>,2|N<3>,3|C<3>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	H(C[6]C[6,6]C[6]C)	106.6410	0.000	1	106.6410	0.000	1	106.3496	1.990	59	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1: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(C[6]C[6,6]C[6]H)(CCHH)(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]O[6]CC)(CCHH)(H){1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	H(C[6]C[6,6]C[6]C)	107.1710	1.178	2	107.1710	1.388	2	106.3496	1.990	59	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-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(C[6]C[6,6]C[6]H)(CH3)(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(C[6]C[6,6]C[6]H)(CH3)(H)2	H(C[6]C[6,6]C[6]C)	105.8430	0.000	1	105.8430	0.000	1	106.3496	1.990	59	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[4]C[6]C)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CC[4]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[4]C[6]C)(CCHH)(H){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(CC[4]HH)(H)2	H(C[6]C[6,6]C[6]C)	104.9150	0.000	1	104.9150	0.000	1	106.3496	1.990	59	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1: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(C[6]C[6,6]C[6]H)(CC[5,5]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[5]C[6]H)(CCHH)(H){2|O<2>,3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]H)(CC[5,5]HO)(H)2	H(C[6]C[6,6]C[6]C)	107.0900	0.000	1	107.0900	0.000	1	106.3496	1.990	59	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CCHH)(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]CC)(CCHH)(H){3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	H(C[6]C[6,6]C[6]C)	105.2035	0.409	2	105.2035	0.168	2	106.3496	1.990	59	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CHHO)(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]CC)(CCHH)(H){3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(CHHO)(H)2	H(C[6]C[6,6]C[6]C)	104.7400	0.000	1	104.7400	0.000	1	106.3496	1.990	59	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CCHH)(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]CH)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	H(C[6]C[6,6]C[6]C)	106.6380	0.000	1	106.6380	0.000	1	106.3496	1.990	59	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CCHH)(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]CO)(CCHH)(H){3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	H(C[6]C[6,6]C[6]C)	104.6460	0.023	2	104.6460	0.001	2	106.3496	1.990	59	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CC[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]CO)(CCHH)(H){3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(CC[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	104.5935	0.374	6	104.5935	0.140	6	106.3496	1.990	59	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4: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(C[6]C[6,6]C[6]H)(CC[5]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]N[6]HH)(CCHH)(H){1|C<3>,1|S<4>,2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(CC[5]HH)(H)2	H(C[6]C[6,6]C[6]C)	104.1925	1.098	2	104.1925	1.206	2	106.3496	1.990	59	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1: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(C[6]C[6,6]C[6]H)(CC[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[3,6]CH)(CCHH)(H){1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(CC[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	106.2300	0.000	1	106.2300	0.000	1	106.3496	1.990	59	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CCHH)(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]CC)(CCHH)(H){4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	H(C[6]C[6,6]C[6]C)	107.1716	0.254	5	107.1716	0.064	5	106.3496	1.990	59	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CCHH)(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]CH)(CCHH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	H(C[6]C[6,6]C[6]C)	107.0670	0.000	1	106.7267	7.272	3	106.3496	1.990	59	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CCHH)(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]CH)(CCHH)(H){4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	H(C[6]C[6,6]C[6]C)	106.5565	3.791	2	106.7267	7.272	3	106.3496	1.990	59	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CC[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]CH)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6,6]C[6]H)(CC[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	106.6758	0.272	5	106.6758	0.074	5	106.3496	1.990	59	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-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(C[6]C[6,6]C[6]H)(CCHH)(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(C[6]C[6,6]C[6]H)(CCHH)(H)2	H(C[6]C[6,6]C[6]C)	107.7630	0.000	1	107.7630	0.000	1	106.3496	1.990	59	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-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(C[6]C[6,6]C[6]H)(CHHO)(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(C[6]C[6,6]C[6]H)(CHHO)(H)2	H(C[6]C[6,6]C[6]C)	108.0230	0.000	1	108.0230	0.000	1	106.3496	1.990	59	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CCHH)(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]HO)(CCHH)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	H(C[6]C[6,6]C[6]C)	107.5730	0.000	1	107.5730	0.000	1	106.3496	1.990	59	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CHHO)(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]HO)(CCHH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(CHHO)(H)2	H(C[6]C[6,6]C[6]C)	107.5280	0.000	1	107.5280	0.000	1	106.3496	1.990	59	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CC[3]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]O[6]CC)(CCHH)(H){1|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(CC[3]HH)(H)2	H(C[6]C[6,6]C[6]C)	107.8330	0.000	1	107.8330	0.000	1	106.3496	1.990	59	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-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(C[6]C[6,6]C[6]H)(CH3)(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(C[6]C[6,6]C[6]H)(CH3)(H)2	H(C[6]C[6,6]C[6]C)	107.2940	0.000	1	107.2940	0.000	1	106.3496	1.990	59	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4: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(C[6]C[6,6]C[6]H)(CCCO)(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(C[6]C[6,6]C[6]H)(CCCO)(H)2	H(C[6]C[6,6]C[6]C)	108.5760	0.000	1	108.5760	0.000	1	106.3496	1.990	59	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-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(C[6]C[6,6]C[6]H)(CH3)(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(C[6]C[6,6]C[6]H)(CH3)(H)2	H(C[6]C[6,6]C[6]C)	107.8750	0.000	1	107.8750	0.000	1	106.3496	1.990	59	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HO)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	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(C[6]C[6,6]C[6]H)(CCHH)(H)2	H(C[6]C[6,6]C[6]C)	106.9800	0.000	1	106.9800	0.000	1	106.3496	1.990	59	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CH3)(H)2	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(C[6]C[6,6]C[6]H)(CH3)(H)2	H(C[6]C[6,6]C[6]C)	105.3190	0.000	1	105.3190	0.000	1	106.3496	1.990	59	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CHHO)(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(C[6]C[6,6]C[6]H)(CHHO)(H)2	H(C[6]C[6,6]C[6]C)	106.8810	0.000	1	106.8810	0.000	1	106.3496	1.990	59	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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[5]-4: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(C[6]C[6,6]C[6]H)(C[5]C[5]O[5]C)(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(C[6]C[6,6]C[6]H)(C[5]C[5]O[5]C)(H)2	H(C[6]C[6,6]C[6]C)	108.1150	0.000	1	108.1150	0.000	1	108.1150	0.000	1	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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(C[6]C[6,6]C[6]H)(C[6]C[6]N[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)(CC[6]HH)(H){1|N<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(C[6]C[6]N[6]H)(H)2	H(C[6]C[6,6]C[6]C)	106.9810	0.000	1	106.9810	0.000	1	106.9810	0.000	1	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:P-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(C[6]C[6,6]C[6]H)(PIrCC)(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(C[6]C[6,6]C[6]H)(PIrCC)(H)2	H(C[6]C[6,6]C[6]C)	106.9470	1.234	4	106.7786	1.283	5	106.7786	1.283	5	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:P-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(C[6]C[6,6]C[6]H)(PIrCC)(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(C[6]C[6,6]C[6]H)(PIrCC)(H)2	H(C[6]C[6,6]C[6]C)	106.1050	0.000	1	106.7786	1.283	5	106.7786	1.283	5	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6,6]-4:C-4:H-1:	C[6]-4:C-4:H-1: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(C[6]C[6,6]C[6]H)(CCHH)(H)2	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(C[6]C[6,6]C[6]H)(CCHH)(H)2	H(C[6]C[6,6]C[6]C)	107.1360	0.000	1	107.1360	0.000	1	107.1360	0.000	1	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(CCHH)(H)	C(CC[5a]C[6a]H)(C[6]C[6]2H)(H)2	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(CC[5a]C[6a]H)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	107.3845	0.351	2	107.3845	0.124	2	107.3095	0.050	4	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(CCHH)(H)	C(CC[5a]N[5a]H)(C[6]C[6]2H)(H)2	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(CC[5a]N[5a]H)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	107.2345	0.070	2	107.2345	0.005	2	107.3095	0.050	4	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[3]-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(C[3]C[3,6]O[3]H)(C[6]C[6]2H)(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(C[3]C[3,6]O[3]H)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	108.3420	0.000	1	108.3420	0.000	1	108.9620	2.932	5	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[3]-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(C[3]C[3]O[3]H)(C[6]C[6]2H)(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(C[3]C[3]O[3]H)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	107.6720	0.232	2	107.6720	0.054	2	108.9620	2.932	5	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[3]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[3]HH)(H)	C(C[3]C[3]N[3]H)(C[6]C[6]2H)(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(C[3]C[3]N[3]H)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	110.5620	1.686	2	110.5620	2.842	2	108.9620	2.932	5	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[5]BrH)(H)	C(C[5]C[5]N[5]H)(C[6]C[6]2H)(Br)(H)	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(C[5]C[5]N[5]H)(C[6]C[6]2H)(Br)(H)	H(C[6]C[6]2C)	106.3060	0.000	1	106.3060	0.000	1	106.3060	0.000	1	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-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(C[5]C[5,6]C[5]H)(C[6]C[6]2H)(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(C[5]C[5,6]C[5]H)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	104.6300	0.581	3	104.6300	0.338	3	106.8874	2.417	12	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-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(C[5]C[5]2H)(C[6]C[6]2H)(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(C[5]C[5]2H)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	105.4760	0.000	1	105.4760	0.000	1	106.8874	2.417	12	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[5]HH)(H)	C(C[5]C[5,6]C[5]H)(C[6]C[6]2H)(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(C[5]C[5,6]C[5]H)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	107.6860	0.000	1	107.6860	0.000	1	106.8874	2.417	12	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[5]HH)(H)	C(C[5]C[5]2H)(C[6]C[6]2H)(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(C[5]C[5]2H)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	107.8040	0.000	1	107.9012	0.026	6	106.8874	2.417	12	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[5]HH)(H)	C(C[5]C[5]2H)(C[6]C[6]2H)(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(C[5]C[5]2H)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	107.8275	0.194	2	107.9012	0.026	6	106.8874	2.417	12	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[5]HH)(H)	C(C[5]C[5]2H)(C[6]C[6]2H)(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(C[5]C[5]2H)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	107.9827	0.164	3	107.9012	0.026	6	106.8874	2.417	12	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[5]HH)(H)	C(C[5]C[6a]C[5]O[5])(C[6]C[6]2H)(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(C[5]C[6a]C[5]O[5])(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	108.1900	0.000	1	108.1900	0.000	1	106.8874	2.417	12	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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]CC)(C[6]C[6]CO)(CC[6,6]HH)(H)	C(C[6,6]C[6,6]C[6]O[6])(C[6]C[6]2H)(H)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(C[6,6]C[6,6]C[6]O[6])(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	105.9860	0.000	1	105.9860	0.000	1	105.9860	0.000	1	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CBrCH)(H)	C(C[6]C[6]2H)(CBrHH)(Br)(H)	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(C[6]C[6]2H)(CBrHH)(Br)(H)	H(C[6]C[6]2C)	107.0330	0.000	1	107.0330	0.000	1	107.0330	0.000	1	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCFH)(H)	C(C[6]C[6]2H)(CCFH)(F)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCFH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CCFH)(F)(H)	H(C[6]C[6]2C)	107.2645	0.347	2	107.2645	0.121	2	107.2645	0.121	2	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-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(C[6]C[6]2H)(CCHO)(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(C[6]C[6]2H)(CCHO)(H)2	H(C[6]C[6]2C)	108.0220	0.000	1	108.0220	0.000	1	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-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(C[6]C[6]2H)(CCHO)(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(C[6]C[6]2H)(CCHO)(H)2	H(C[6]C[6]2C)	106.0170	0.000	1	106.1000	0.014	2	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-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(C[6]C[6]2H)(CCHO)(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(C[6]C[6]2H)(CCHO)(H)2	H(C[6]C[6]2C)	106.1830	0.000	1	106.1000	0.014	2	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(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(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	106.9660	0.000	1	107.6550	0.949	2	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(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(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	108.3440	0.000	1	107.6550	0.949	2	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HN)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	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(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	105.7620	0.000	1	105.7620	0.000	1	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	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(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	106.4555	0.220	2	106.4555	0.048	2	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(H)2	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(C[6]C[6]2H)(CH3)(H)2	H(C[6]C[6]2C)	108.2440	0.000	1	108.2440	0.000	1	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-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(C[6]C[6]2H)(CCHH)(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(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	108.0990	0.000	1	108.0990	0.000	1	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]HO)(CCHH)(H)	C(C[6]C[6]2H)(CC[6a]HH)(H)2	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(C[6]C[6]2H)(CC[6a]HH)(H)2	H(C[6]C[6]2C)	108.4690	0.000	1	108.4690	0.000	1	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]O[6]CC)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(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(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	107.1550	0.317	2	107.1550	0.100	2	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]C)(C[6]C[6]HO)(CCHH)(H)	C(C[6]C[6]2H)(CHHO)(H)2	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(C[6]C[6]2H)(CHHO)(H)2	H(C[6]C[6]2C)	106.8110	0.000	1	106.8110	0.000	1	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-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(C[6]C[6]2H)(CCHH)(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(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	106.6310	0.000	1	106.6310	0.000	1	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]CH)(C[6]C[5,6]CH)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	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(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	105.8240	0.000	1	105.8240	0.000	1	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]ClC)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(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(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	106.0540	0.000	1	106.0540	0.000	1	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(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(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	108.1430	0.000	1	108.1430	0.000	1	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	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(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	104.7995	0.872	2	104.7995	0.760	2	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(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(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	107.9450	0.000	1	107.9450	0.000	1	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]O[6]CC)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	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(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	106.0717	1.003	6	106.0717	1.006	6	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]O[6]CC)(CCHH)(H)	C(C[6]C[6]2H)(CC[6]HH)(H)2	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(C[6]C[6]2H)(CC[6]HH)(H)2	H(C[6]C[6]2C)	105.1340	0.000	1	105.1340	0.000	1	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(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(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	106.4780	0.000	1	106.8980	0.353	2	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(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(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	107.3180	0.000	1	106.8980	0.353	2	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(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(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	107.4980	0.365	5	107.4980	0.133	5	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(CCHH)(H)	C(C[6]C[6]2H)(CB[6]HH)(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(C[6]C[6]2H)(CB[6]HH)(H)2	H(C[6]C[6]2C)	102.1715	0.175	2	102.1715	0.031	2	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(CCHH)(H)	C(C[6]C[6]2H)(CC[5,6]HO)(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(C[6]C[6]2H)(CC[5,6]HO)(H)2	H(C[6]C[6]2C)	106.2020	0.000	1	106.2020	0.000	1	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)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(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	105.7930	0.709	2	105.7930	0.502	2	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CC)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	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(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	106.6603	0.886	3	106.6603	0.784	3	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-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(C[6]C[6]2H)(CH3)(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(C[6]C[6]2H)(CH3)(H)2	H(C[6]C[6]2C)	99.2611	0.000	1	99.2611	0.000	1	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(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(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	107.5685	0.149	4	107.5685	0.022	4	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CO)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(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(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	107.2420	0.000	1	107.2420	0.000	1	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]HO)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(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(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	108.3075	0.658	2	108.3075	0.433	2	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HO)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	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(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	108.3670	0.491	4	108.3670	0.241	4	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6]2H)(CC[6a]CH)(H)2	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(C[6]C[6]2H)(CC[6a]CH)(H)2	H(C[6]C[6]2C)	107.0390	0.000	1	107.0390	0.000	1	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)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(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	105.0570	0.000	1	105.0570	0.000	1	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CCHH)(H)	C(C[6]C[6]2H)(CC[6]HH)(H)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(C[6]C[6]2H)(CC[6]HH)(H)2	H(C[6]C[6]2C)	104.3800	0.000	1	104.3800	0.000	1	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CCHH)(H)	C(C[6]C[6]2H)(CC[6a]HH)(H)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(C[6]C[6]2H)(CC[6a]HH)(H)2	H(C[6]C[6]2C)	104.9720	0.000	1	104.9720	0.000	1	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(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(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	106.1970	0.000	1	106.5177	0.082	3	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(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(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	106.6780	0.099	2	106.5177	0.082	3	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)2(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)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(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	104.2790	0.000	1	104.8695	0.174	4	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)2(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)2(CCHH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	104.9130	0.000	1	104.8695	0.174	4	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)2(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)2(CCHH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	105.1430	0.148	2	104.8695	0.174	4	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)2(CCHH)(H)	C(C[6]C[6]2H)(CC[6a]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)2(CCHH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CC[6a]HH)(H)2	H(C[6]C[6]2C)	105.4810	0.000	1	105.4810	0.000	1	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	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(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	108.8340	0.000	1	108.8340	0.000	1	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CCCH)(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(C[6]C[6]2H)(CCCH)(H)2	H(C[6]C[6]2C)	107.2160	0.000	1	107.2160	0.000	1	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(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(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	106.3660	0.059	2	106.6175	0.093	4	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(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(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	106.7640	0.000	1	106.6175	0.093	4	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(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(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	106.9740	0.000	1	106.6175	0.093	4	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CC[3]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|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]2H)(CC[3]HH)(H)2	H(C[6]C[6]2C)	108.3550	0.000	1	108.3550	0.000	1	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CC[5]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(C[6]C[6]2H)(CC[5]HH)(H)2	H(C[6]C[6]2C)	105.9655	0.668	2	105.9655	0.447	2	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CC[6a]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(C[6]C[6]2H)(CC[6a]HH)(H)2	H(C[6]C[6]2C)	107.1710	0.000	1	106.1710	0.449	4	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CC[6a]HH)(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(C[6]C[6]2H)(CC[6a]HH)(H)2	H(C[6]C[6]2C)	105.8377	0.080	3	106.1710	0.449	4	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CCoCH)(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(C[6]C[6]2H)(CCoCH)(H)2	H(C[6]C[6]2C)	108.1700	0.000	1	108.1700	0.000	1	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H)	C(C[6]C[6]2H)(CC[6a]CH)(H)2	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(C[6]C[6]2H)(CC[6a]CH)(H)2	H(C[6]C[6]2C)	106.9193	0.339	3	106.9193	0.115	3	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H)	C(C[6]C[6]2H)(CHHO)(H)2	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(C[6]C[6]2H)(CHHO)(H)2	H(C[6]C[6]2C)	106.9120	0.000	1	107.5740	0.876	2	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H)	C(C[6]C[6]2H)(CHHO)(H)2	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(C[6]C[6]2H)(CHHO)(H)2	H(C[6]C[6]2C)	108.2360	0.000	1	107.5740	0.876	2	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(H)2	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(C[6]C[6]2H)(CH3)(H)2	H(C[6]C[6]2C)	106.1185	0.019	2	106.1185	0.000	2	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(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(C[6]C[6]2H)(CH3)(H)2	H(C[6]C[6]2C)	107.0010	0.170	4	107.0010	0.029	4	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CHHO)(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(C[6]C[6]2H)(CHHO)(H)2	H(C[6]C[6]2C)	106.8900	0.000	1	106.8900	0.000	1	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HP)(CCHH)(H)	C(C[6]C[6]2H)(CN[6]HH)(H)2	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(C[6]C[6]2H)(CN[6]HH)(H)2	H(C[6]C[6]2C)	106.9290	0.000	1	106.9290	0.000	1	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(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(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	107.4930	0.000	1	106.8960	0.489	3	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(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(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	106.5975	0.665	2	106.8960	0.489	3	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CC[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>,1|O<2>,3|H<1>}	C(C[6]C[6]2H)(CC[6]HH)(H)2	H(C[6]C[6]2C)	107.1630	0.000	1	107.1630	0.000	1	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HN)(CCHH)(H)	C(C[6]C[6]2H)(CHHO)(H)2	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(C[6]C[6]2H)(CHHO)(H)2	H(C[6]C[6]2C)	106.5590	0.042	2	106.5590	0.002	2	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(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(C[6]C[6]2H)(CH3)(H)2	H(C[6]C[6]2C)	107.3130	0.000	1	107.3130	0.000	1	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]N[6]CH)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(H)2	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(C[6]C[6]2H)(CH3)(H)2	H(C[6]C[6]2C)	107.2040	0.000	1	107.2040	0.000	1	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCHH)(H)	C(C[6]C[6]2H)(CC[6a]CH)(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(C[6]C[6]2H)(CC[6a]CH)(H)2	H(C[6]C[6]2C)	107.3480	0.000	1	107.3480	0.000	1	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(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(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	107.3675	0.234	2	107.4373	0.042	3	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(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(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	107.5770	0.000	1	107.4373	0.042	3	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HW)(CCHH)(H)	C(C[6]C[6]2H)(CCCW)(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(C[6]C[6]2H)(CCCW)(H)2	H(C[6]C[6]2C)	106.7110	0.000	1	106.7110	0.000	1	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(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(C[6]C[6]2H)(CH3)(H)2	H(C[6]C[6]2C)	107.0780	0.000	1	107.0780	0.000	1	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(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(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	107.8020	0.000	1	107.8020	0.000	1	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CC[5a]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|O<2>,2|C<4>}	C(C[6]C[6]2H)(CC[5a]HH)(H)2	H(C[6]C[6]2C)	106.0280	0.000	1	106.0280	0.000	1	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(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(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	105.9525	0.275	12	105.9525	0.076	12	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHH)(H)	C(C[6]C[6]2H)(CCCN)(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(C[6]C[6]2H)(CCCN)(H)2	H(C[6]C[6]2C)	117.2070	0.000	1	109.8186	17.094	5	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHH)(H)	C(C[6]C[6]2H)(CCCN)(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(C[6]C[6]2H)(CCCN)(H)2	H(C[6]C[6]2C)	107.9715	0.216	4	109.8186	17.094	5	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(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(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	107.2780	0.000	1	107.7084	1.100	68	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(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(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	106.9630	0.000	1	107.7084	1.100	68	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(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(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	107.3190	0.395	2	107.7084	1.100	68	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(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(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	107.5887	1.436	31	107.7084	1.100	68	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(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(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	107.7497	0.248	6	107.7084	1.100	68	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(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(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	107.8626	0.600	23	107.7084	1.100	68	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(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(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	108.1767	0.433	4	107.7084	1.100	68	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHH)(H)	C(C[6]C[6]2H)(CCHN)(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(C[6]C[6]2H)(CCHN)(H)2	H(C[6]C[6]2C)	107.5189	0.370	7	107.5189	0.137	7	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHH)(H)	C(C[6]C[6]2H)(CC[5]HN)(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(C[6]C[6]2H)(CC[5]HN)(H)2	H(C[6]C[6]2C)	108.3250	0.000	1	108.3250	0.000	1	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHH)(H)	C(C[6]C[6]2H)(CC[5]HO)(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(C[6]C[6]2H)(CC[5]HO)(H)2	H(C[6]C[6]2C)	107.7820	0.000	1	107.7820	0.000	1	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHH)(H)	C(C[6]C[6]2H)(CC[6]CH)(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(C[6]C[6]2H)(CC[6]CH)(H)2	H(C[6]C[6]2C)	109.6790	0.000	1	109.6790	0.000	1	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHH)(H)	C(C[6]C[6]2H)(CC[6a]CC)(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(C[6]C[6]2H)(CC[6a]CC)(H)2	H(C[6]C[6]2C)	108.0825	0.357	2	108.0825	0.128	2	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHH)(H)	C(C[6]C[6]2H)(CC[6a]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(C[6]C[6]2H)(CC[6a]CH)(H)2	H(C[6]C[6]2C)	107.2090	0.000	1	107.2090	0.000	1	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHH)(H)	C(C[6]C[6]2H)(CC[6a]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(C[6]C[6]2H)(CC[6a]HH)(H)2	H(C[6]C[6]2C)	107.8375	0.305	4	107.8375	0.093	4	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHH)(H)	C(C[6]C[6]2H)(CC[6a]HN)(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(C[6]C[6]2H)(CC[6a]HN)(H)2	H(C[6]C[6]2C)	107.9990	0.000	1	107.9990	0.000	1	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHH)(H)	C(C[6]C[6]2H)(CH3)(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(C[6]C[6]2H)(CH3)(H)2	H(C[6]C[6]2C)	107.3100	0.000	1	107.7333	0.121	7	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHH)(H)	C(C[6]C[6]2H)(CH3)(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(C[6]C[6]2H)(CH3)(H)2	H(C[6]C[6]2C)	107.7468	0.323	5	107.7333	0.121	7	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHH)(H)	C(C[6]C[6]2H)(CH3)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHH)(H){3|C<3>}	C(C[6]C[6]2H)(CH3)(H)2	H(C[6]C[6]2C)	108.0890	0.000	1	107.7333	0.121	7	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHH)(H)	C(C[6]C[6]2H)(CHHN)(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(C[6]C[6]2H)(CHHN)(H)2	H(C[6]C[6]2C)	107.5220	0.000	1	107.5220	0.000	1	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHH)(H)	C(C[6]C[6]2H)(CHHO)(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(C[6]C[6]2H)(CHHO)(H)2	H(C[6]C[6]2C)	108.1070	0.632	2	108.1070	0.400	2	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHH)(H)	C(C[6]C[6]2H)(CHSS)(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(C[6]C[6]2H)(CHSS)(H)2	H(C[6]C[6]2C)	108.9370	0.000	1	108.9370	0.000	1	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHH)(H)	C(C[6]C[6]2H)(CN[6]HH)(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(C[6]C[6]2H)(CN[6]HH)(H)2	H(C[6]C[6]2C)	107.7975	0.052	2	107.7975	0.003	2	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(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(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	106.0875	0.554	6	106.0875	0.307	6	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]CC)(CCHH)(H)	C(C[6]C[6]2H)(CHHO)(H)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(C[6]C[6]2H)(CHHO)(H)2	H(C[6]C[6]2C)	108.5140	0.000	1	108.5140	0.000	1	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-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(C[6]C[6]2H)(CCHH)(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(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	107.8460	0.221	2	107.8460	0.049	2	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-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(C[6]C[6]2H)(CH3)(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(C[6]C[6]2H)(CH3)(H)2	H(C[6]C[6]2C)	107.7800	0.000	1	108.1525	0.278	2	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-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(C[6]C[6]2H)(CH3)(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(C[6]C[6]2H)(CH3)(H)2	H(C[6]C[6]2C)	108.5250	0.000	1	108.1525	0.278	2	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]In[6]HH)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(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(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	105.9520	0.000	1	105.9520	0.000	1	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(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(C[6]C[6]2H)(CH3)(H)2	H(C[6]C[6]2C)	107.4670	0.000	1	107.4250	1.194	3	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(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(C[6]C[6]2H)(CH3)(H)2	H(C[6]C[6]2C)	106.3120	0.000	1	107.4250	1.194	3	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(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(C[6]C[6]2H)(CH3)(H)2	H(C[6]C[6]2C)	108.4960	0.000	1	107.4250	1.194	3	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(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(C[6]C[6]2H)(CH3)(H)2	H(C[6]C[6]2C)	107.5573	0.390	3	107.5573	0.152	3	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(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(C[6]C[6]2H)(CH3)(H)2	H(C[6]C[6]2C)	107.6775	0.042	2	107.6775	0.002	2	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)2(CCHH)(H)	C(C[6]C[6]2H)(CHHO)(H)2	H(C[6]C[6]2C)	C[6](C[6]N[6,6]HH)2(CCHH)(H){4|C<4>}	C(C[6]C[6]2H)(CHHO)(H)2	H(C[6]C[6]2C)	109.0790	0.000	1	109.0790	0.000	1	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)2(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	C[6](C[6]S[6]HH)2(CCHH)(H){1|C<4>}	C(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2C)	109.9510	0.000	1	109.9510	0.000	1	107.1817	2.075	248	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[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(C[6]C[6]2H)2(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(C[6]C[6]2H)2(H)2	H(C[6]C[6]2C)	105.9880	0.000	1	105.9880	0.000	1	107.2747	1.190	17	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-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)2(CC[6]HH)(H)	C(C[6]C[6]2H)(C[6]C[6]3)(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(C[6]C[6]2H)(C[6]C[6]3)(H)2	H(C[6]C[6]2C)	105.5070	0.000	1	105.5070	0.000	1	107.2747	1.190	17	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-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]CO)(CC[6]HH)(H)	C(C[6]C[6,6a]C[6,6]O)(C[6]C[6]2H)(H)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(C[6]C[6,6a]C[6,6]O)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	105.3620	0.000	1	105.3620	0.000	1	107.2747	1.190	17	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-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(C[6]C[6]2H)2(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(C[6]C[6]2H)2(H)2	H(C[6]C[6]2C)	106.4670	0.000	1	106.4670	0.000	1	107.2747	1.190	17	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4: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(C[6]C[6]2H)2(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(C[6]C[6]2H)2(H)2	H(C[6]C[6]2C)	106.6450	0.000	1	107.0030	0.096	3	107.2747	1.190	17	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4: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(C[6]C[6]2H)2(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(C[6]C[6]2H)2(H)2	H(C[6]C[6]2C)	107.1820	0.000	2	107.0030	0.096	3	107.2747	1.190	17	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4: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(C[6]C[5a,6]N[6]H)(C[6]C[6]2H)(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(C[6]C[5a,6]N[6]H)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	108.1845	0.404	2	108.1845	0.163	2	107.2747	1.190	17	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4: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(C[6]C[5a]C[6]N[6])(C[6]C[6]2H)(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(C[6]C[5a]C[6]N[6])(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	108.4750	0.000	1	108.4750	0.000	1	107.2747	1.190	17	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4: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(C[6]C[6]2H)2(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(C[6]C[6]2H)2(H)2	H(C[6]C[6]2C)	107.7085	0.971	4	107.7085	0.943	4	107.2747	1.190	17	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4: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(C[6]C[6]N[6]H)(C[6]C[6]2H)(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(C[6]C[6]N[6]H)(C[6]C[6]2H)(H)2	H(C[6]C[6]2C)	107.8863	0.889	3	107.8863	0.790	3	107.2747	1.190	17	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CHHN)(H)	C(C[6]C[6]2H)(NCCH)(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(C[6]C[6]2H)(NCCH)(H)2	H(C[6]C[6]2C)	105.7200	1.717	2	105.7200	2.948	2	107.8711	16.488	28	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CHHN)(H)	C(C[6]C[6]2H)(NH3)(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(C[6]C[6]2H)(NH3)(H)2	H(C[6]C[6]2C)	105.6467	9.084	5	105.6467	82.515	5	107.8711	16.488	28	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CHHN)(H)	C(C[6]C[6]2H)(NH3)(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(C[6]C[6]2H)(NH3)(H)2	H(C[6]C[6]2C)	107.9517	0.396	7	108.6109	4.177	16	107.8711	16.488	28	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CHHN)(H)	C(C[6]C[6]2H)(NH3)(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(C[6]C[6]2H)(NH3)(H)2	H(C[6]C[6]2C)	109.9458	2.870	6	108.6109	4.177	16	107.8711	16.488	28	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CHHN)(H)	C(C[6]C[6]2H)(NH3)(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(C[6]C[6]2H)(NH3)(H)2	H(C[6]C[6]2C)	107.4793	1.215	3	108.6109	4.177	16	107.8711	16.488	28	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-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(C[6]C[6]2H)(NCCH)(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(C[6]C[6]2H)(NCCH)(H)2	H(C[6]C[6]2C)	108.5886	1.023	5	108.5886	1.047	5	107.8711	16.488	28	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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]C[6]HH)(CN[6]HH)(H)	C(C[6]C[6]2H)(N[6]C[6]2H)(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(C[6]C[6]2H)(N[6]C[6]2H)(H)2	H(C[6]C[6]2C)	107.8280	0.000	1	107.8280	0.000	1	107.8280	0.000	1	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:P-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHP)(H)	C(C[6]C[6]2H)(PC[6a]2Ru)(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(C[6]C[6]2H)(PC[6a]2Ru)(H)2	H(C[6]C[6]2C)	108.7690	0.434	2	108.7690	0.188	2	107.1140	1.935	48	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:P-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHP)(H)	C(C[6]C[6]2H)(PPdCC)(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(C[6]C[6]2H)(PPdCC)(H)2	H(C[6]C[6]2C)	108.9005	0.052	2	108.9005	0.003	2	107.1140	1.935	48	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:P-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CHHP)(H)	C(C[6]C[6]2H)(PFeCC)(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(C[6]C[6]2H)(PFeCC)(H)2	H(C[6]C[6]2C)	107.7277	0.436	22	107.7277	0.190	22	107.1140	1.935	48	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:P-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]IrH)(C[6]C[6]HH)(CHHP)(H)	C(C[6]C[6]2H)(PIrCC)(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(C[6]C[6]2H)(PIrCC)(H)2	H(C[6]C[6]2C)	105.6817	1.553	14	105.6817	2.410	14	107.1140	1.935	48	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:P-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]PdH)(C[6]C[6]HH)(CHHP)(H)	C(C[6]C[6]2H)(PPdCC)(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(C[6]C[6]2H)(PPdCC)(H)2	H(C[6]C[6]2C)	106.9877	1.123	6	106.9877	1.262	6	107.1140	1.935	48	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:P-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]PtH)(C[6]C[6]HH)(CHHP)(H)	C(C[6]C[6]2H)(PPtCC)(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(C[6]C[6]2H)(PPtCC)(H)2	H(C[6]C[6]2C)	107.3255	0.245	2	107.3255	0.060	2	107.1140	1.935	48	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:S-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]CS)(C[6]C[6]HH)(CBrHS)(H)	C(C[6]C[6]2H)(SC[6a]OO)(Br)(H)	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(C[6]C[6]2H)(SC[6a]OO)(Br)(H)	H(C[6]C[6]2C)	105.5920	0.000	1	105.5920	0.000	1	105.5920	0.000	1	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:Si-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(CSiHH)(H)	C(C[6]C[6]2H)(SiC3)(H)2	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(C[6]C[6]2H)(SiC3)(H)2	H(C[6]C[6]2C)	107.4170	0.000	1	107.4170	0.000	1	107.4170	0.000	1	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]CH)(N[6]C[6]CH)(CCHH)(H)	C(C[6]C[6]N[6]H)(CH3)(H)2	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(C[6]C[6]N[6]H)(CH3)(H)2	H(C[6]C[6]N[6]C)	107.2880	0.000	1	107.2880	0.000	1	107.9944	0.712	10	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CCHH)(H)	C(C[6]C[6]N[6]H)(CH3)(H)2	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(C[6]C[6]N[6]H)(CH3)(H)2	H(C[6]C[6]N[6]C)	106.0360	0.000	1	106.0360	0.000	1	107.9944	0.712	10	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHH)(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(C[6]C[6]N[6]H)(CCHH)(H)2	H(C[6]C[6]N[6]C)	108.1835	0.370	6	108.1835	0.137	6	107.9944	0.712	10	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]N[6]H)(CH3)(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(C[6]C[6]N[6]H)(CH3)(H)2	H(C[6]C[6]N[6]C)	108.7460	0.000	1	108.7460	0.000	1	107.9944	0.712	10	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]N[6]H)(CHHO)(H)2	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(C[6]C[6]N[6]H)(CHHO)(H)2	H(C[6]C[6]N[6]C)	108.7730	0.000	1	108.7730	0.000	1	107.9944	0.712	10	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:N-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CHHN)(H)	C(C[6]C[6]N[6]H)(NH3)(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(C[6]C[6]N[6]H)(NH3)(H)2	H(C[6]C[6]N[6]C)	108.1490	0.185	2	108.1490	0.034	2	108.1490	0.034	2	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:P[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HS)(P[6]O[6]OO)(CCHH)(H)	C(C[6]C[6]P[6]H)(CCHH)(H)2	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(C[6]C[6]P[6]H)(CCHH)(H)2	H(C[6]C[6]P[6]C)	108.0670	0.000	1	108.0670	0.000	1	108.0670	0.000	1	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]CuC)(C[6]N[6]HH)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCCH)(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(C[6]C[6]N[6]H)(CCCH)(H)2	H(C[6]C[6]N[6]C)	105.8850	0.000	1	105.8850	0.000	1	107.0411	0.632	7	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]PdC)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHH)(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(C[6]C[6]N[6]H)(CCHH)(H)2	H(C[6]C[6]N[6]C)	106.9670	0.904	3	106.9670	0.816	3	107.0411	0.632	7	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6]H)(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6]N[6]H)(CH3)(H)2	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(C[6]C[6]N[6]H)(CH3)(H)2	H(C[6]C[6]N[6]C)	107.3980	0.000	1	107.5007	0.085	3	107.0411	0.632	7	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6]H)(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6]N[6]H)(CH3)(H)2	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(C[6]C[6]N[6]H)(CH3)(H)2	H(C[6]C[6]N[6]C)	107.5520	0.393	2	107.5007	0.085	3	107.0411	0.632	7	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]AlC)(C[6]C[6]HH)(CHHN)(H)	C(C[6]C[6]N[6]H)(NAlCH)(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(C[6]C[6]N[6]H)(NAlCH)(H)2	H(C[6]C[6]N[6]C)	106.7160	0.000	1	106.7160	0.000	1	107.7570	1.694	4	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]CoH)(C[6]N[6]HH)(CHHN)(H)	C(C[6]C[6]N[6]H)(NCoCH)(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(C[6]C[6]N[6]H)(NCoCH)(H)2	H(C[6]C[6]N[6]C)	109.6510	0.000	1	109.6510	0.000	1	107.7570	1.694	4	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]FeC)(C[6]C[6]HH)(CHHN)(H)	C(C[6]C[6]N[6]H)(NFeCH)(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(C[6]C[6]N[6]H)(NFeCH)(H)2	H(C[6]C[6]N[6]C)	107.4840	0.000	1	107.4840	0.000	1	107.7570	1.694	4	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]NiH)(C[6]C[6]HH)(CHHN)(H)	C(C[6]C[6]N[6]H)(NNiCH)(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(C[6]C[6]N[6]H)(NNiCH)(H)2	H(C[6]C[6]N[6]C)	107.1770	0.000	1	107.1770	0.000	1	107.7570	1.694	4	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:P-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]RuH)(C[6]C[6]HH)(CHHP)(H)	C(C[6]C[6]N[6]H)(PC[6a]2Ru)(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(C[6]C[6]N[6]H)(PC[6a]2Ru)(H)2	H(C[6]C[6]N[6]C)	107.7070	0.000	1	107.7070	0.000	1	107.7070	0.000	1	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:1:1:	4:	Si[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](Si[6]C[6,6a]CC)(C[6]C[6,6a]CH)(CCHH)(H)	C(C[6]Si[6]C[6]H)(CCHH)(H)2	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(C[6]Si[6]C[6]H)(CCHH)(H)2	H(C[6]Si[6]C[6]C)	108.0070	0.045	2	108.0070	0.002	2	108.0070	0.002	2	107.1119	2.564	562	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:2:1:	4:	C[3,6]-4:C[5,6]-4:C-4:H-1:	C[6]-4:C[5]-4:O-2:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]C)(CC[5]HO)(H)	C(C[6]C[3,6]C[5,6]H)(C[5]C[5]2H)(OO)(H)	H(C[6]C[3,6]C[5,6]C)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]C)(CC[5]HO)(H){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C(C[6]C[3,6]C[5,6]H)(C[5]C[5]2H)(OO)(H)	H(C[6]C[3,6]C[5,6]C)	107.1090	0.000	1	107.1090	0.000	1	107.1090	0.000	1	106.8702	2.299	108	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:O-2:H-1:	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(C[6]C[3,6]C[6]H)(CCHH)(OC)(H)	H(C[6]C[3,6]C[6]C)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[3,5]C[6]O)(CCHO)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C(C[6]C[3,6]C[6]H)(CCHH)(OC)(H)	H(C[6]C[3,6]C[6]C)	105.9780	0.000	1	105.9780	0.000	1	105.1857	0.641	4	106.8702	2.299	108	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:O-2:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5]C[6]O)(CCHO)(H)	C(C[6]C[3,6]C[6]H)(CCCH)(OSi)(H)	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(C[6]C[3,6]C[6]H)(CCCH)(OSi)(H)	H(C[6]C[3,6]C[6]C)	104.5080	0.000	1	104.5080	0.000	1	105.1857	0.641	4	106.8702	2.299	108	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:O-2:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CO)(CCHO)(H)	C(C[6]C[3,6]C[6]H)(CCCH)(OSi)(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]CO)(CCHO)(H){2|H<1>,4|C<4>}	C(C[6]C[3,6]C[6]H)(CCCH)(OSi)(H)	H(C[6]C[3,6]C[6]C)	105.7730	0.000	1	105.7730	0.000	1	105.1857	0.641	4	106.8702	2.299	108	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:O-2:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(CCHO)(H)	C(C[6]C[3,6]C[6]H)(CCCH)(OSi)(H)	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(C[6]C[3,6]C[6]H)(CCCH)(OSi)(H)	H(C[6]C[3,6]C[6]C)	104.4840	0.000	1	104.4840	0.000	1	105.1857	0.641	4	106.8702	2.299	108	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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]CC)(CC[6]HO)(H)	C(C[6]C[3,6]C[6]H)(C[6]C[6]2H)(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]CC)(CC[6]HO)(H){1|C<4>,1|O<2>,4|H<1>}	C(C[6]C[3,6]C[6]H)(C[6]C[6]2H)(OH)(H)	H(C[6]C[3,6]C[6]C)	102.7280	0.000	1	102.7280	0.000	1	102.7280	0.000	1	106.8702	2.299	108	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:2:1:	4:	C[4,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[5]-4:O-2:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]CC)(CC[5]HO)(H)	C(C[6]C[4,6]C[6]H)(C[5]C[5]2C)(OC)(H)	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(C[6]C[4,6]C[6]H)(C[5]C[5]2C)(OC)(H)	H(C[6]C[4,6]C[6]C)	104.5100	0.000	1	104.5100	0.000	1	104.5100	0.000	1	106.8702	2.299	108	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:2:1:	4:	C[4,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]CC)(CC[6]HO)(H)	C(C[6]C[4,6]C[6]H)(C[6]C[6]2O)(OC)(H)	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(C[6]C[4,6]C[6]H)(C[6]C[6]2O)(OC)(H)	H(C[6]C[4,6]C[6]C)	106.5270	0.069	2	105.7692	0.995	10	105.7692	0.995	10	106.8702	2.299	108	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:2:1:	4:	C[4,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]CC)(CC[6]HO)(H)	C(C[6]C[4,6]C[6]H)(C[6]C[6]2O)(OC)(H)	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(C[6]C[4,6]C[6]H)(C[6]C[6]2O)(OC)(H)	H(C[6]C[4,6]C[6]C)	105.5798	1.036	8	105.7692	0.995	10	105.7692	0.995	10	106.8702	2.299	108	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-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(C[6]C[5,6]C[6]H)(CCHH)(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(C[6]C[5,6]C[6]H)(CCHH)(OH)(H)	H(C[6]C[5,6]C[6]C)	104.7390	0.086	2	104.7390	0.007	2	104.7390	0.007	2	106.8702	2.299	108	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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[5]-4:O-2: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(C[6]C[5,6]C[6]H)(C[5]C[5]2H)(OH)(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]HH)(CC[5]HO)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C(C[6]C[5,6]C[6]H)(C[5]C[5]2H)(OH)(H)	H(C[6]C[5,6]C[6]C)	105.1820	0.000	1	105.1820	0.000	1	105.1820	0.000	1	106.8702	2.299	108	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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]S[6]HH)(CC[6]HO)(H)	C(C[6]C[5,6]C[6]H)(C[6]C[6]2H)(OH)(H)	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(C[6]C[5,6]C[6]H)(C[6]C[6]2H)(OH)(H)	H(C[6]C[5,6]C[6]C)	106.2340	0.000	1	106.2340	0.000	1	106.2340	0.000	1	106.8702	2.299	108	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:O-2: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(C[6]C[6,6]C[6]H)(CH3)(OH)(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(C[6]C[6,6]C[6]H)(CH3)(OH)(H)	H(C[6]C[6,6]C[6]C)	107.9295	0.312	2	107.4867	0.637	3	107.4867	0.637	3	106.8702	2.299	108	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:O-2: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(C[6]C[6,6]C[6]H)(CH3)(OH)(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(C[6]C[6,6]C[6]H)(CH3)(OH)(H)	H(C[6]C[6,6]C[6]C)	106.6010	0.000	1	107.4867	0.637	3	107.4867	0.637	3	106.8702	2.299	108	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[3]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[3]HO)(H)	C(C[3]C[3]2H)(C[6]C[6]2H)(OC)(H)	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(C[3]C[3]2H)(C[6]C[6]2H)(OC)(H)	H(C[6]C[6]2C)	107.9400	0.000	1	107.9400	0.000	1	107.7747	0.122	3	106.8702	2.299	108	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[3]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[3]HO)(H)	C(C[3]C[3]2O)(C[6]C[6]2H)(OH)(H)	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(C[3]C[3]2O)(C[6]C[6]2H)(OH)(H)	H(C[6]C[6]2C)	107.6920	0.451	2	107.6920	0.204	2	107.7747	0.122	3	106.8702	2.299	108	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[5]HN)(H)	C(C[5]C[5]O[5]H)(C[6]C[6]2H)(NC[6])(H)	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(C[5]C[5]O[5]H)(C[6]C[6]2H)(NC[6])(H)	H(C[6]C[6]2C)	107.2440	0.000	1	107.2440	0.000	1	107.2440	0.000	1	106.8702	2.299	108	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(CC[5]HO)(H)	C(C[5]C[5]2H)(C[6]C[6]2H)(OC)(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(C[5]C[5]2H)(C[6]C[6]2H)(OC)(H)	H(C[6]C[6]2C)	105.8835	0.057	2	105.8835	0.003	2	105.8835	0.003	2	106.8702	2.299	108	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHN)(H)	C(C[6]C[6]2H)(CC[6]HN)(NC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHN)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CC[6]HN)(NC)(H)	H(C[6]C[6]2C)	107.1335	0.064	2	107.1335	0.004	2	107.2812	0.031	4	106.8702	2.299	108	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHN)(H)	C(C[6]C[6]2H)(CH3)(NC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHN)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CH3)(NC)(H)	H(C[6]C[6]2C)	107.4290	0.023	2	107.4290	0.001	2	107.2812	0.031	4	106.8702	2.299	108	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(CCHO)(H)	C(C[6]C[6]2H)(CH3)(OH)(H)	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(C[6]C[6]2H)(CH3)(OH)(H)	H(C[6]C[6]2C)	106.4870	0.000	1	106.4870	0.000	1	107.3520	0.514	64	106.8702	2.299	108	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[3,6]CC)(C[6]C[6]HH)(CCHO)(H)	C(C[6]C[6]2H)(CH3)(OH)(H)	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(C[6]C[6]2H)(CH3)(OH)(H)	H(C[6]C[6]2C)	107.9210	0.000	1	107.9210	0.000	1	107.3520	0.514	64	106.8702	2.299	108	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HO)(CCHO)(H)	C(C[6]C[6]2H)(CCHN)(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(C[6]C[6]2H)(CCHN)(OC)(H)	H(C[6]C[6]2C)	106.2250	0.546	2	106.2250	0.298	2	107.3520	0.514	64	106.8702	2.299	108	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(CCHO)(H)	C(C[6]C[6]2H)(CCHN)(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(C[6]C[6]2H)(CCHN)(OC)(H)	H(C[6]C[6]2C)	106.8510	0.000	1	106.8510	0.000	1	107.3520	0.514	64	106.8702	2.299	108	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(CCHO)(H)	C(C[6]C[6]2H)(CH3)(OSi)(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(C[6]C[6]2H)(CH3)(OSi)(H)	H(C[6]C[6]2C)	106.7010	0.000	1	106.7010	0.000	1	107.3520	0.514	64	106.8702	2.299	108	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCHO)(H)	C(C[6]C[6]2H)(CC[5]CH)(OC)(H)	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(C[6]C[6]2H)(CC[5]CH)(OC)(H)	H(C[6]C[6]2C)	105.4920	0.206	2	105.4920	0.043	2	107.3520	0.514	64	106.8702	2.299	108	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCHO)(H)	C(C[6]C[6]2H)(CH3)(OH)(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(C[6]C[6]2H)(CH3)(OH)(H)	H(C[6]C[6]2C)	107.0610	0.000	1	107.0610	0.000	1	107.3520	0.514	64	106.8702	2.299	108	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHO)(H)	C(C[6]C[6]2H)(CC3)(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(C[6]C[6]2H)(CC3)(OSi)(H)	H(C[6]C[6]2C)	106.4250	0.000	1	106.0910	0.223	2	107.3520	0.514	64	106.8702	2.299	108	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHO)(H)	C(C[6]C[6]2H)(CC3)(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(C[6]C[6]2H)(CC3)(OSi)(H)	H(C[6]C[6]2C)	105.7570	0.000	1	106.0910	0.223	2	107.3520	0.514	64	106.8702	2.299	108	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHO)(H)	C(C[6]C[6]2H)(CCCH)(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(C[6]C[6]2H)(CCCH)(OSi)(H)	H(C[6]C[6]2C)	105.0790	0.000	1	105.0790	0.000	1	107.3520	0.514	64	106.8702	2.299	108	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHO)(H)	C(C[6]C[6]2H)(CCCH)(OC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHO)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CCCH)(OC)(H)	H(C[6]C[6]2C)	108.2435	0.414	2	108.2435	0.171	2	107.3520	0.514	64	106.8702	2.299	108	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHO)(H)	C(C[6]C[6]2H)(CCCH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHO)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CCCH)(OH)(H)	H(C[6]C[6]2C)	107.6352	0.620	8	107.6352	0.384	8	107.3520	0.514	64	106.8702	2.299	108	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHO)(H)	C(C[6]C[6]2H)(CCCH)(OSi)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHO)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CCCH)(OSi)(H)	H(C[6]C[6]2C)	107.8150	0.000	1	107.8150	0.000	1	107.3520	0.514	64	106.8702	2.299	108	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHO)(H)	C(C[6]C[6]2H)(CCHH)(OSi)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHO)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CCHH)(OSi)(H)	H(C[6]C[6]2C)	106.8610	0.000	1	106.8610	0.000	1	107.3520	0.514	64	106.8702	2.299	108	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHO)(H)	C(C[6]C[6]2H)(CC[4]HH)(OSi)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHO)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CC[4]HH)(OSi)(H)	H(C[6]C[6]2C)	106.5980	0.000	1	106.5980	0.000	1	107.3520	0.514	64	106.8702	2.299	108	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHO)(H)	C(C[6]C[6]2H)(CC[5]CH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHO)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CC[5]CH)(OH)(H)	H(C[6]C[6]2C)	107.7925	0.165	2	107.7925	0.027	2	107.3520	0.514	64	106.8702	2.299	108	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHO)(H)	C(C[6]C[6]2H)(CC[5]FF)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHO)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CC[5]FF)(OH)(H)	H(C[6]C[6]2C)	107.5535	0.367	2	107.5535	0.135	2	107.3520	0.514	64	106.8702	2.299	108	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHO)(H)	C(C[6]C[6]2H)(CC[5]HH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHO)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CC[5]HH)(OH)(H)	H(C[6]C[6]2C)	107.0985	0.387	2	107.0985	0.150	2	107.3520	0.514	64	106.8702	2.299	108	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHO)(H)	C(C[6]C[6]2H)(CC[6]HO)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHO)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CC[6]HO)(OH)(H)	H(C[6]C[6]2C)	107.6033	0.310	32	107.6033	0.096	32	107.3520	0.514	64	106.8702	2.299	108	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHO)(H)	C(C[6]C[6]2H)(CHHN)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHO)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CHHN)(OH)(H)	H(C[6]C[6]2C)	107.7770	0.000	1	107.7770	0.000	1	107.3520	0.514	64	106.8702	2.299	108	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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]HH)(CC[6]HO)(H)	C(C[6]C[3,6]C[6]H)(C[6]C[6]2H)(OH)(H)	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(C[6]C[3,6]C[6]H)(C[6]C[6]2H)(OH)(H)	H(C[6]C[6]2C)	96.1975	0.000	1	96.1975	0.000	1	105.9746	15.916	8	106.8702	2.299	108	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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(C[6]C[6]2H)2(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(C[6]C[6]2H)2(OC)(H)	H(C[6]C[6]2C)	106.6020	0.000	1	106.6020	0.000	1	105.9746	15.916	8	106.8702	2.299	108	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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(C[6]C[6]2H)(C[6]C[6]2O)(OC)(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(C[6]C[6]2H)(C[6]C[6]2O)(OC)(H)	H(C[6]C[6]2C)	107.4740	0.000	1	107.4740	0.000	1	105.9746	15.916	8	106.8702	2.299	108	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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(C[6]C[6]2H)2(OH)(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(C[6]C[6]2H)2(OH)(H)	H(C[6]C[6]2C)	106.8700	0.000	1	106.8700	0.000	1	105.9746	15.916	8	106.8702	2.299	108	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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)2(CC[6]HO)(H)	C(C[6]C[6]2C)(C[6]C[6]2H)(OH)(H)	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(C[6]C[6]2C)(C[6]C[6]2H)(OH)(H)	H(C[6]C[6]2C)	107.9280	0.000	1	107.9280	0.000	1	105.9746	15.916	8	106.8702	2.299	108	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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)2(CC[6]HO)(H)	C(C[6]C[6]2H)2(OH)(H)	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(C[6]C[6]2H)2(OH)(H)	H(C[6]C[6]2C)	107.1260	0.000	1	107.1260	0.000	1	105.9746	15.916	8	106.8702	2.299	108	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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)2(CC[6]HO)(H)	C(C[6]C[6]N[6]H)(C[6]C[6]2H)(OH)(H)	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(C[6]C[6]N[6]H)(C[6]C[6]2H)(OH)(H)	H(C[6]C[6]2C)	108.3370	0.000	1	108.3370	0.000	1	105.9746	15.916	8	106.8702	2.299	108	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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(C[6]C[5,6]C[6]H)(C[6]C[6]2H)(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(C[6]C[5,6]C[6]H)(C[6]C[6]2H)(OH)(H)	H(C[6]C[6]2C)	107.2620	0.000	1	107.2620	0.000	1	105.9746	15.916	8	106.8702	2.299	108	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-4:C-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHN)(H)	C(C[6]C[6]2H)(NC[6a]CH)(CC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHN)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(NC[6a]CH)(CC)(H)	H(C[6]C[6]2C)	108.6460	0.000	1	108.6460	0.000	1	108.6460	0.000	1	106.8702	2.299	108	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(N[6]C[6]HH)(CCHO)(H)	C(C[6]C[6]N[6]H)(CCHH)(OC)(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(C[6]C[6]N[6]H)(CCHH)(OC)(H)	H(C[6]C[6]N[6]C)	107.4140	0.000	1	107.4140	0.000	1	107.4140	0.000	1	106.8702	2.299	108	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:2:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-2:N-2:	C[6]-4:	C[6](C[6]C[6]HH)2(CCCN)(H)	C(C[6]C[6]2H)(CC[5a]HH)(CN)(NC)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCCN)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CC[5a]HH)(CN)(NC)	H(C[6]C[6]2C)	106.7660	0.000	1	106.7660	0.000	1	106.7660	0.000	1	107.1713	0.239	3	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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]HH)2(CC[6]CO)(H)	C(C[6]C[6]2H)2(CN)(OH)	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(C[6]C[6]2H)2(CN)(OH)	H(C[6]C[6]2C)	107.3740	0.481	2	107.3740	0.231	2	107.3740	0.231	2	107.1713	0.239	3	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-3: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(C[6]C[5,6]C[6]H)(CH3)(CCH)(H)	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(C[6]C[5,6]C[6]H)(CH3)(CCH)(H)	H(C[6]C[5,6]C[6]C)	105.8363	0.284	3	105.8363	0.081	3	105.8363	0.081	3	107.1515	0.975	50	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6,6]C[6]H)(CH3)(CCH)(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]HH)(CCCH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C(C[6]C[6,6]C[6]H)(CH3)(CCH)(H)	H(C[6]C[6,6]C[6]C)	105.8350	0.000	1	105.8350	0.000	1	106.0637	0.040	3	107.1515	0.975	50	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6,6]C[6]H)(CCCH)(CHN)(H)	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(C[6]C[6,6]C[6]H)(CCCH)(CHN)(H)	H(C[6]C[6,6]C[6]C)	106.1780	0.044	2	106.1780	0.002	2	106.0637	0.040	3	107.1515	0.975	50	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	B[5,5]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CB[5,5]CH)(H)	C(B[5,5]N[5,5]O[5]2)(C[6]C[6]2H)(CHN)(H)	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(B[5,5]N[5,5]O[5]2)(C[6]C[6]2H)(CHN)(H)	H(C[6]C[6]2C)	106.9480	0.000	1	106.9480	0.000	1	106.9480	0.000	1	107.1515	0.975	50	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[3]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(CC[3]CH)(H)	C(C[3]C[3]2H)(C[6]C[6]2H)(COO)(H)	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(C[3]C[3]2H)(C[6]C[6]2H)(COO)(H)	H(C[6]C[6]2C)	106.9770	0.000	1	106.9770	0.000	1	106.9770	0.000	1	107.1515	0.975	50	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[5]HN)(H)	C(C[5]C[5]2Fe)(C[6]C[6]2H)(NHS)(H)	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(C[5]C[5]2Fe)(C[6]C[6]2H)(NHS)(H)	H(C[6]C[6]2C)	103.5330	0.000	1	103.5330	0.000	1	106.1515	13.713	2	107.1515	0.975	50	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[5]HN)(H)	C(C[5]C[5]O[5]H)(C[6]C[6]2H)(NC[6a]H)(H)	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(C[5]C[5]O[5]H)(C[6]C[6]2H)(NC[6a]H)(H)	H(C[6]C[6]2C)	108.7700	0.000	1	108.7700	0.000	1	106.1515	13.713	2	107.1515	0.975	50	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]2H)(CH3)(COO)(H)	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(C[6]C[6]2H)(CH3)(COO)(H)	H(C[6]C[6]2C)	107.8100	0.314	2	107.5733	0.259	4	107.2308	0.532	16	107.1515	0.975	50	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]2H)(CH3)(COO)(H)	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(C[6]C[6]2H)(CH3)(COO)(H)	H(C[6]C[6]2C)	107.3365	0.674	2	107.5733	0.259	4	107.2308	0.532	16	107.1515	0.975	50	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(CCCH)(H)	C(C[6]C[6]2H)(CH3)(COO)(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(C[6]C[6]2H)(CH3)(COO)(H)	H(C[6]C[6]2C)	107.5140	0.000	1	107.5140	0.000	1	107.2308	0.532	16	107.1515	0.975	50	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]2H)(CC[6a]HO)(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>,1|N<3>,3|H<1>}	C(C[6]C[6]2H)(CC[6a]HO)(COO)(H)	H(C[6]C[6]2C)	106.6590	0.000	1	106.6590	0.000	1	107.2308	0.532	16	107.1515	0.975	50	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCCH)(H)	C(C[6]C[6]2H)(CCHH)(CNO)(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(C[6]C[6]2H)(CCHH)(CNO)(H)	H(C[6]C[6]2C)	106.8834	0.271	5	106.8834	0.074	5	107.2308	0.532	16	107.1515	0.975	50	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCCH)(H)	C(C[6]C[6]2H)(CCHH)(COO)(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(C[6]C[6]2H)(CCHH)(COO)(H)	H(C[6]C[6]2C)	106.9490	0.577	2	106.9490	0.333	2	107.2308	0.532	16	107.1515	0.975	50	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	C(C[6]C[6]2H)(CH3)(CHH)(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(C[6]C[6]2H)(CH3)(CHH)(H)	H(C[6]C[6]2C)	108.9740	0.000	1	108.9740	0.000	1	107.2308	0.532	16	107.1515	0.975	50	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCCH)(H)	C(C[6]C[6]2H)(CCHO)(CCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCCH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CCHO)(CCH)(H)	H(C[6]C[6]2C)	106.0290	0.000	1	106.0290	0.000	1	107.2308	0.532	16	107.1515	0.975	50	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCCH)(H)	C(C[6]C[6]2H)(CHHN)(CCO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCCH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CHHN)(CCO)(H)	H(C[6]C[6]2C)	107.9090	0.000	1	107.9090	0.000	1	107.2308	0.532	16	107.1515	0.975	50	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHN)(H)	C(C[6]C[6]2H)(CCHH)(NCH)(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(C[6]C[6]2H)(CCHH)(NCH)(H)	H(C[6]C[6]2C)	107.6677	1.298	3	107.6677	1.684	3	107.5081	0.563	22	107.1515	0.975	50	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCHN)(H)	C(C[6]C[6]2H)(CH3)(NCH)(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(C[6]C[6]2H)(CH3)(NCH)(H)	H(C[6]C[6]2C)	108.2830	0.000	1	108.2830	0.000	1	107.5081	0.563	22	107.1515	0.975	50	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHN)(H)	C(C[6]C[6]2H)(CBrCH)(NCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHN)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CBrCH)(NCH)(H)	H(C[6]C[6]2C)	108.0680	0.297	2	108.0680	0.088	2	107.5081	0.563	22	107.1515	0.975	50	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHN)(H)	C(C[6]C[6]2H)(CCCH)(NHS)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHN)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CCCH)(NHS)(H)	H(C[6]C[6]2C)	106.9850	0.000	1	106.9850	0.000	1	107.5081	0.563	22	107.1515	0.975	50	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHN)(H)	C(C[6]C[6]2H)(CCFF)(NHS)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHN)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CCFF)(NHS)(H)	H(C[6]C[6]2C)	107.0550	0.242	2	107.0550	0.058	2	107.5081	0.563	22	107.1515	0.975	50	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHN)(H)	C(C[6]C[6]2H)(CCHH)(NCH)(H)	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(C[6]C[6]2H)(CCHH)(NCH)(H)	H(C[6]C[6]2C)	107.0940	0.000	1	107.0940	0.000	1	107.5081	0.563	22	107.1515	0.975	50	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHN)(H)	C(C[6]C[6]2H)(CC[6]HN)(NHS)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHN)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CC[6]HN)(NHS)(H)	H(C[6]C[6]2C)	107.8010	0.000	1	107.8010	0.000	1	107.5081	0.563	22	107.1515	0.975	50	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHN)(H)	C(C[6]C[6]2H)(CClCH)(NCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHN)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CClCH)(NCH)(H)	H(C[6]C[6]2C)	107.8195	0.346	2	107.8195	0.120	2	107.5081	0.563	22	107.1515	0.975	50	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHN)(H)	C(C[6]C[6]2H)(CH3)(NCC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHN)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CH3)(NCC)(H)	H(C[6]C[6]2C)	107.1470	0.000	1	107.1470	0.000	1	107.5081	0.563	22	107.1515	0.975	50	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHN)(H)	C(C[6]C[6]2H)(CH3)(NCH)(H)	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(C[6]C[6]2H)(CH3)(NCH)(H)	H(C[6]C[6]2C)	107.6410	0.409	2	107.2318	0.331	4	107.5081	0.563	22	107.1515	0.975	50	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHN)(H)	C(C[6]C[6]2H)(CH3)(NCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHN)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CH3)(NCH)(H)	H(C[6]C[6]2C)	106.8225	0.397	2	107.2318	0.331	4	107.5081	0.563	22	107.1515	0.975	50	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHN)(H)	C(C[6]C[6]2H)(CHHO)(NCC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHN)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CHHO)(NCC)(H)	H(C[6]C[6]2C)	108.0660	0.100	2	108.0660	0.010	2	107.5081	0.563	22	107.1515	0.975	50	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HS)(C[6]O[6]HH)(CCHN)(H)	C(C[6]C[6]2H)(CC[5a]HH)(NHS)(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(C[6]C[6]2H)(CC[5a]HH)(NHS)(H)	H(C[6]C[6]2C)	106.9610	1.758	2	106.9610	3.090	2	107.5081	0.563	22	107.1515	0.975	50	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:S-4:C-3:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]O[6]HH)(CCHS)(H)	C(C[6]C[6]2H)(SC[6a]OO)(CCH)(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(C[6]C[6]2H)(SC[6a]OO)(CCH)(H)	H(C[6]C[6]2C)	107.0850	0.000	1	107.0850	0.000	1	107.0850	0.000	1	107.1515	0.975	50	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:P[6]-4:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(P[6]C[6]CW)(CCCH)(H)	C(C[6]C[6]P[6]H)(CCHH)(CCH)(H)	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(C[6]C[6]P[6]H)(CCHH)(CCH)(H)	H(C[6]C[6]P[6]C)	107.6890	0.000	1	107.6890	0.000	1	107.6890	0.000	1	107.1515	0.975	50	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:3:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-3:O-2:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCO)(H)	C(C[6]C[6]2H)(CHHO)(COO)(OH)	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(C[6]C[6]2H)(CHHO)(COO)(OH)	H(C[6]C[6]2C)	107.5300	0.000	1	107.5300	0.000	1	106.6350	1.314	3	106.8084	1.081	5	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:3:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-3:O-2:	C[6]-4:	C[6](C[6]C[6]HH)2(CCCO)(H)	C(C[6]C[6]2H)(CC[6]CO)(COO)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCCO)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CC[6]CO)(COO)(OH)	H(C[6]C[6]2C)	106.1875	1.194	2	106.1875	1.426	2	106.6350	1.314	3	106.8084	1.081	5	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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]HH)2(CC[6]CO)(H)	C(C[6]C[6]2H)2(COO)(OH)	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(C[6]C[6]2H)2(COO)(OH)	H(C[6]C[6]2C)	107.0685	1.213	2	107.0685	1.471	2	107.0685	1.471	2	106.8084	1.081	5	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:3:3:	4:	C-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:B[6]-3:C-3:	C[6]-4:	C[6](CB[6]C[6]C)(C[6]C[6]HH)2(H)	C(C[6]C[6]2H)2(B[6]O[6]2)(CCH)	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(C[6]C[6]2H)2(B[6]O[6]2)(CCH)	H(C[6]C[6]2C)	107.0015	0.289	2	107.0015	0.084	2	107.0015	0.084	2	106.4740	0.877	3	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC3)(H)	C(C[6]C[6]2H)(CCHH)(COO)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(C[6]C[6]2H)(CCHH)(COO)2	H(C[6]C[6]2C)	105.4190	0.000	1	105.4190	0.000	1	105.4190	0.000	1	106.4740	0.877	3	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	B[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](B[5,6]C[6]N[5]O[5])(C[6]N[6]HH)(CCCH)(H)	C(C[6]B[5,6]C[6]H)(CH3)2(H)	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(C[6]B[5,6]C[6]H)(CH3)2(H)	H(C[6]B[5,6]C[6]C)	105.7520	1.291	2	105.7520	1.667	2	105.7520	1.667	2	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	B[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](B[6]C[6]N[6]H)(C[6]N[6]HH)(CCCH)(H)	C(C[6]B[6]C[6]H)(CH3)2(H)	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(C[6]B[6]C[6]H)(CH3)2(H)	H(C[6]B[6]C[6]C)	104.6970	1.011	2	104.6970	1.022	2	104.6970	1.022	2	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[3,5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4: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(C[6]C[3,5,6]C[6]H)(CCHH)(CH3)(H)	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(C[6]C[3,5,6]C[6]H)(CCHH)(CH3)(H)	H(C[6]C[3,5,6]C[6]C)	105.1540	0.000	1	105.1540	0.000	1	105.1540	0.000	1	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-4: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(C[6]C[3,6]C[6]H)(CH3)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[6]HH)(CCCH)(H){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C(C[6]C[3,6]C[6]H)(CH3)2(H)	H(C[6]C[3,6]C[6]C)	108.6830	0.513	2	107.5929	1.408	7	107.6365	0.879	11	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-4: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(C[6]C[3,6]C[6]H)(CH3)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[6]HH)(CCCH)(H){3|C<4>,3|H<1>}	C(C[6]C[3,6]C[6]H)(CH3)2(H)	H(C[6]C[3,6]C[6]C)	107.1568	1.102	5	107.5929	1.408	7	107.6365	0.879	11	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-4: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(C[6]C[3,6]C[6]H)(CH3)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[5,6]HH)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[3,6]C[6]H)(CH3)2(H)	H(C[6]C[3,6]C[6]C)	107.7130	0.316	4	107.7130	0.100	4	107.6365	0.879	11	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[3x6]C[5,4x6]N[3x6]H)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[3x6]C[6]H)(CH3)2(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(C[6]C[3x6]C[6]H)(CH3)2(H)	H(C[6]C[3x6]C[6]C)	105.7410	0.000	1	105.7410	0.000	1	105.7410	0.000	1	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[4,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4: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(C[6]C[4,6]C[6]H)(CCHH)(CH3)(H)	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(C[6]C[4,6]C[6]H)(CCHH)(CH3)(H)	H(C[6]C[4,6]C[6]C)	107.5450	0.000	1	107.5450	0.000	1	107.5430	0.000	2	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[4,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4: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(C[6]C[4,6]C[6]H)(CH3)2(H)	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(C[6]C[4,6]C[6]H)(CH3)2(H)	H(C[6]C[4,6]C[6]C)	107.5410	0.000	1	107.5410	0.000	1	107.5430	0.000	2	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-4: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(C[6]C[5,5,6]C[6]H)(CH3)2(H)	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(C[6]C[5,5,6]C[6]H)(CH3)2(H)	H(C[6]C[5,5,6]C[6]C)	105.9640	0.000	1	105.9640	0.000	1	105.9640	0.000	1	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-4: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(C[6]C[5,6,6]C[6]H)(CH3)2(H)	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(C[6]C[5,6,6]C[6]H)(CH3)2(H)	H(C[6]C[5,6,6]C[6]C)	105.9680	0.000	1	105.9680	0.000	1	105.1935	1.200	2	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-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[6,6]HH)(CCCH)(H)	C(C[6]C[5,6,6]C[6]H)(CCCH)(CCHH)(H)	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(C[6]C[5,6,6]C[6]H)(CCCH)(CCHH)(H)	H(C[6]C[5,6,6]C[6]C)	104.4190	0.000	1	104.4190	0.000	1	105.1935	1.200	2	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-4: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(C[6]C[5,6]C[6]H)(CH3)2(H)	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(C[6]C[5,6]C[6]H)(CH3)2(H)	H(C[6]C[5,6]C[6]C)	107.3550	0.165	2	107.3550	0.027	2	106.0540	1.661	45	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-4: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(C[6]C[5,6]C[6]H)(CCHH)(CH3)(H)	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(C[6]C[5,6]C[6]H)(CCHH)(CH3)(H)	H(C[6]C[5,6]C[6]C)	107.4090	0.000	1	107.4090	0.000	1	106.0540	1.661	45	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[5,6]C[6]H)(CH3)2(H)	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(C[6]C[5,6]C[6]H)(CH3)2(H)	H(C[6]C[5,6]C[6]C)	106.0840	1.639	2	106.3377	1.536	3	106.0540	1.661	45	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[5,6]C[6]H)(CH3)2(H)	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(C[6]C[5,6]C[6]H)(CH3)2(H)	H(C[6]C[5,6]C[6]C)	106.8450	0.000	1	106.3377	1.536	3	106.0540	1.661	45	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-4: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(C[6]C[5,6]C[6]H)(CH3)2(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CCCH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[5,6]C[6]H)(CH3)2(H)	H(C[6]C[5,6]C[6]C)	106.3630	0.000	1	106.3630	0.000	1	106.0540	1.661	45	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[5,6]C[6]H)(CH3)2(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]HH)(CCCH)(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C(C[6]C[5,6]C[6]H)(CH3)2(H)	H(C[6]C[5,6]C[6]C)	106.2650	0.748	2	106.9411	0.282	12	106.0540	1.661	45	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[5,6]C[6]H)(CH3)2(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]HH)(CCCH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]H)(CH3)2(H)	H(C[6]C[5,6]C[6]C)	107.3487	0.294	3	106.9411	0.282	12	106.0540	1.661	45	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[5,6]C[6]H)(CH3)2(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]HH)(CCCH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6]C[5,6]C[6]H)(CH3)2(H)	H(C[6]C[5,6]C[6]C)	106.8335	0.151	4	106.9411	0.282	12	106.0540	1.661	45	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[5,6]C[6]H)(CH3)2(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]HH)(CCCH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(C[6]C[5,6]C[6]H)(CH3)2(H)	H(C[6]C[5,6]C[6]C)	106.8020	0.000	1	106.9411	0.282	12	106.0540	1.661	45	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[5,6]C[6]H)(CH3)2(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]HH)(CCCH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C(C[6]C[5,6]C[6]H)(CH3)2(H)	H(C[6]C[5,6]C[6]C)	107.8270	0.000	1	106.9411	0.282	12	106.0540	1.661	45	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[5,6]C[6]H)(CH3)2(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]HH)(CCCH)(H){2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[5,6]C[6]H)(CH3)2(H)	H(C[6]C[5,6]C[6]C)	106.7540	0.000	1	106.9411	0.282	12	106.0540	1.661	45	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CCCH)(H)	C(C[6]C[5,6]C[6]H)(CH3)2(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(C[6]C[5,6]C[6]H)(CH3)2(H)	H(C[6]C[5,6]C[6]C)	106.9210	0.000	1	106.9210	0.000	1	106.0540	1.661	45	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[5,6]C[6]H)(CH3)2(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]HH)(CCCH)(H){1|C<3>,2|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]H)(CH3)2(H)	H(C[6]C[5,6]C[6]C)	108.0000	0.970	2	108.0000	0.941	2	106.0540	1.661	45	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-4: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(C[6]C[5,6]C[6]H)(CH3)2(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]HH)(CCCH)(H){1|H<1>,1|O<2>,4|C<3>}	C(C[6]C[5,6]C[6]H)(CH3)2(H)	H(C[6]C[5,6]C[6]C)	106.2695	0.192	2	106.2695	0.037	2	106.0540	1.661	45	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-4: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(C[6]C[5,6]C[6]H)(CH3)2(H)	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(C[6]C[5,6]C[6]H)(CH3)2(H)	H(C[6]C[5,6]C[6]C)	104.9750	0.000	1	104.9750	0.000	1	106.0540	1.661	45	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[5,6]C[6]H)(CH3)2(H)	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(C[6]C[5,6]C[6]H)(CH3)2(H)	H(C[6]C[5,6]C[6]C)	105.1120	0.140	4	104.4178	0.586	11	106.0540	1.661	45	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[5,6]C[6]H)(CH3)2(H)	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(C[6]C[5,6]C[6]H)(CH3)2(H)	H(C[6]C[5,6]C[6]C)	103.4685	1.005	2	104.4178	0.586	11	106.0540	1.661	45	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[5,6]C[6]H)(CH3)2(H)	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(C[6]C[5,6]C[6]H)(CH3)2(H)	H(C[6]C[5,6]C[6]C)	103.6160	0.000	1	104.4178	0.586	11	106.0540	1.661	45	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[5,6]C[6]H)(CH3)2(H)	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(C[6]C[5,6]C[6]H)(CH3)2(H)	H(C[6]C[5,6]C[6]C)	104.2635	0.320	2	104.4178	0.586	11	106.0540	1.661	45	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[5,6]C[6]H)(CH3)2(H)	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|Ni<4>,1|N<3>,2|C<4>,6|H<1>}	C(C[6]C[5,6]C[6]H)(CH3)2(H)	H(C[6]C[5,6]C[6]C)	104.1840	0.000	1	104.4178	0.586	11	106.0540	1.661	45	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[5,6]C[6]H)(CH3)2(H)	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(C[6]C[5,6]C[6]H)(CH3)2(H)	H(C[6]C[5,6]C[6]C)	104.8840	0.000	1	104.4178	0.586	11	106.0540	1.661	45	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[5,6]C[6]H)(CH3)2(H)	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(C[6]C[5,6]C[6]H)(CH3)2(H)	H(C[6]C[5,6]C[6]C)	106.0440	0.129	3	106.0440	0.017	3	106.0540	1.661	45	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-4: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(C[6]C[5,6]C[6]H)(CH3)2(H)	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(C[6]C[5,6]C[6]H)(CH3)2(H)	H(C[6]C[5,6]C[6]C)	104.9805	0.190	2	104.9805	0.036	2	106.0540	1.661	45	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-4: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(C[6]C[5,6]C[6]H)(CH3)2(H)	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(C[6]C[5,6]C[6]H)(CH3)2(H)	H(C[6]C[5,6]C[6]C)	105.5240	0.539	2	105.5240	0.290	2	106.0540	1.661	45	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-4: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(C[6]C[5,6]C[6]H)(CH3)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(C[6]C[5,6]C[6]H)(CH3)2(H)	H(C[6]C[5,6]C[6]C)	106.7350	1.358	2	106.7350	1.843	2	106.0540	1.661	45	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]N[6]H)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6,6]C[6]H)(CH3)2(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(C[6]C[6,6]C[6]H)(CH3)2(H)	H(C[6]C[6,6]C[6]C)	106.3110	0.000	1	106.3110	0.000	1	105.8165	1.708	42	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6,6]C[6]H)(CH3)2(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(C[6]C[6,6]C[6]H)(CH3)2(H)	H(C[6]C[6,6]C[6]C)	107.2820	0.000	1	106.7103	0.245	3	105.8165	1.708	42	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6,6]C[6]H)(CH3)2(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(C[6]C[6,6]C[6]H)(CH3)2(H)	H(C[6]C[6,6]C[6]C)	106.4245	0.002	2	106.7103	0.245	3	105.8165	1.708	42	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-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(C[6]C[6,6]C[6]H)(CCHH)(CH3)(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(C[6]C[6,6]C[6]H)(CCHH)(CH3)(H)	H(C[6]C[6,6]C[6]C)	103.3490	0.000	1	103.3490	0.000	1	105.8165	1.708	42	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-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(C[6]C[6,6]C[6]H)(CH3)2(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(C[6]C[6,6]C[6]H)(CH3)2(H)	H(C[6]C[6,6]C[6]C)	107.0435	0.271	2	107.0435	0.073	2	105.8165	1.708	42	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6,6]C[6]H)(CCHH)(CH3)(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(C[6]C[6,6]C[6]H)(CCHH)(CH3)(H)	H(C[6]C[6,6]C[6]C)	103.3203	0.138	3	103.3203	0.019	3	105.8165	1.708	42	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]B[6]H)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6,6]C[6]H)(CH3)2(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(C[6]C[6,6]C[6]H)(CH3)2(H)	H(C[6]C[6,6]C[6]C)	107.5620	0.000	1	107.5620	0.000	1	105.8165	1.708	42	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-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(C[6]C[6,6]C[6]H)(CH3)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[3,6]HH)(CCCH)(H){1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(CH3)2(H)	H(C[6]C[6,6]C[6]C)	107.5000	0.000	1	107.5000	0.000	1	105.8165	1.708	42	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-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(C[6]C[6,6]C[6]H)(CCHH)(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]HH)(CCCH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(CCHH)(CH3)(H)	H(C[6]C[6,6]C[6]C)	104.4510	0.000	1	105.5892	0.645	5	105.8165	1.708	42	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-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(C[6]C[6,6]C[6]H)(CCHH)(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]HH)(CCCH)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C(C[6]C[6,6]C[6]H)(CCHH)(CH3)(H)	H(C[6]C[6,6]C[6]C)	106.1650	0.403	2	105.5892	0.645	5	105.8165	1.708	42	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-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(C[6]C[6,6]C[6]H)(CCHH)(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]HH)(CCCH)(H){1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[6,6]C[6]H)(CCHH)(CH3)(H)	H(C[6]C[6,6]C[6]C)	106.0620	0.000	1	105.5892	0.645	5	105.8165	1.708	42	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-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(C[6]C[6,6]C[6]H)(CCHH)(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]HH)(CCCH)(H){2|O<2>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(CCHH)(CH3)(H)	H(C[6]C[6,6]C[6]C)	105.1030	0.000	1	105.5892	0.645	5	105.8165	1.708	42	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-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(C[6]C[6,6]C[6]H)(CH3)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)(CCCH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]H)(CH3)2(H)	H(C[6]C[6,6]C[6]C)	106.8780	0.000	1	106.8350	0.092	6	105.8165	1.708	42	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-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(C[6]C[6,6]C[6]H)(CH3)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)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(CH3)2(H)	H(C[6]C[6,6]C[6]C)	106.6980	0.000	1	106.8350	0.092	6	105.8165	1.708	42	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-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(C[6]C[6,6]C[6]H)(CH3)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)(CCCH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(C[6]C[6,6]C[6]H)(CH3)2(H)	H(C[6]C[6,6]C[6]C)	107.0580	0.000	1	106.8350	0.092	6	105.8165	1.708	42	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-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(C[6]C[6,6]C[6]H)(CH3)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)(CCCH)(H){1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[6,6]C[6]H)(CH3)2(H)	H(C[6]C[6,6]C[6]C)	106.5410	0.072	2	106.8350	0.092	6	105.8165	1.708	42	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-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(C[6]C[6,6]C[6]H)(CH3)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)(CCCH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(CH3)2(H)	H(C[6]C[6,6]C[6]C)	107.2940	0.000	1	106.8350	0.092	6	105.8165	1.708	42	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-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(C[6]C[6,6]C[6]H)(CHHO)(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]HH)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(CHHO)(CH3)(H)	H(C[6]C[6,6]C[6]C)	106.9120	0.000	1	106.8825	0.002	2	105.8165	1.708	42	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-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(C[6]C[6,6]C[6]H)(CHHO)(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]HH)(CCCH)(H){1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[6,6]C[6]H)(CHHO)(CH3)(H)	H(C[6]C[6,6]C[6]C)	106.8530	0.000	1	106.8825	0.002	2	105.8165	1.708	42	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-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(C[6]C[6,6]C[6]H)(CH3)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(C[6]C[6,6]C[6]H)(CH3)2(H)	H(C[6]C[6,6]C[6]C)	106.8280	0.000	1	106.8280	0.000	1	105.8165	1.708	42	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-4: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(C[6]C[6,6]C[6]H)(CCCH)(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[6,6]HH)(CCCH)(H){1|O<2>,2|H<1>,5|C<4>}	C(C[6]C[6,6]C[6]H)(CCCH)(CCHH)(H)	H(C[6]C[6,6]C[6]C)	103.7257	0.115	3	103.7257	0.013	3	105.8165	1.708	42	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6,6]C[6]H)(CCCH)(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]HH)(CCCH)(H){3|H<1>,5|C<4>}	C(C[6]C[6,6]C[6]H)(CCCH)(CCHH)(H)	H(C[6]C[6,6]C[6]C)	105.1860	0.000	1	105.1860	0.000	1	105.8165	1.708	42	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6,6]C[6]H)(CH3)2(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]HH)(CCCH)(H){1|C<3>,2|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(CH3)2(H)	H(C[6]C[6,6]C[6]C)	105.8250	0.000	1	105.8250	0.000	1	105.8165	1.708	42	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6,6]C[6]H)(CH3)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[6]HH)(CCCH)(H){3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(CH3)2(H)	H(C[6]C[6,6]C[6]C)	107.2360	0.417	2	107.2360	0.174	2	105.8165	1.708	42	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6,6]C[6]H)(CH3)2(H)	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(C[6]C[6,6]C[6]H)(CH3)2(H)	H(C[6]C[6,6]C[6]C)	105.3310	0.000	1	105.3310	0.000	1	105.8165	1.708	42	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6]N[6]O[6])(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6,6]C[6]H)(CH3)2(H)	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(C[6]C[6,6]C[6]H)(CH3)2(H)	H(C[6]C[6,6]C[6]C)	106.4350	0.000	1	106.4350	0.000	1	105.8165	1.708	42	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6,6]C[6]H)(CH3)2(H)	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(C[6]C[6,6]C[6]H)(CH3)2(H)	H(C[6]C[6,6]C[6]C)	105.5337	0.097	3	105.5337	0.009	3	105.8165	1.708	42	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6]S[6]2)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6,6]C[6]H)(CH3)2(H)	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(C[6]C[6,6]C[6]H)(CH3)2(H)	H(C[6]C[6,6]C[6]C)	105.2037	0.232	4	105.2037	0.054	4	105.8165	1.708	42	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-4:C-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[5]CH)(H)	C(C[5]C[5]2Fe)(CC[5]C[6]H)(C[6]C[6]2H)(H)	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(C[5]C[5]2Fe)(CC[5]C[6]H)(C[6]C[6]2H)(H)	H(C[6]C[6]2C)	106.9115	1.681	4	106.9115	2.826	4	106.9115	2.826	4	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(CC[5]CH)(H)	C(C[5]C[5]2O)(C[6]C[6]2H)(CH3)(H)	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(C[5]C[5]2O)(C[6]C[6]2H)(CH3)(H)	H(C[6]C[6]2C)	107.3280	0.000	1	107.3280	0.000	1	106.9085	0.218	6	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[5]CH)(H)	C(C[5]C[5,6]C[5]Rh)(C[6]C[6]2H)(CHHP)(H)	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(C[5]C[5,6]C[5]Rh)(C[6]C[6]2H)(CHHP)(H)	H(C[6]C[6]2C)	106.7430	0.000	1	106.7430	0.000	1	106.9085	0.218	6	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[5]CH)(H)	C(C[5]C[5]O[5]C)(C[6]C[6]2H)(CCHH)(H)	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(C[5]C[5]O[5]C)(C[6]C[6]2H)(CCHH)(H)	H(C[6]C[6]2C)	106.7080	0.000	1	106.7080	0.000	1	106.9085	0.218	6	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(C[6]C[6]2H)(CCHH)(H)	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(C[5]C[5]O[5]H)(C[6]C[6]2H)(CCHH)(H)	H(C[6]C[6]2C)	107.0605	0.821	2	107.0605	0.674	2	106.9085	0.218	6	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(C[6]C[6]2H)(CC[5]HH)(H)	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(C[5]C[5]O[5]H)(C[6]C[6]2H)(CC[5]HH)(H)	H(C[6]C[6]2C)	106.5510	0.000	1	106.5510	0.000	1	106.9085	0.218	6	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:Cl-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(CClCC)(H)	C(C[6]C[6]2H)(CH3)2(Cl)	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(C[6]C[6]2H)(CH3)2(Cl)	H(C[6]C[6]2C)	106.6310	0.000	1	106.6310	0.000	1	106.4335	0.036	4	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:Cl-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CClCC)(H)	C(C[6]C[6]2H)(CCHH)(CH3)(Cl)	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(C[6]C[6]2H)(CCHH)(CH3)(Cl)	H(C[6]C[6]2C)	106.2460	0.000	1	106.2460	0.000	1	106.4335	0.036	4	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:Cl-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CClCC)(H)	C(C[6]C[6]2H)(CCHH)(CH3)(Cl)	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(C[6]C[6]2H)(CCHH)(CH3)(Cl)	H(C[6]C[6]2C)	106.5610	0.000	1	106.5610	0.000	1	106.4335	0.036	4	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:Cl-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CClCC)(H)	C(C[6]C[6]2H)(CH3)2(Cl)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CClCC)(H){1|C<3>,3|H<1>}	C(C[6]C[6]2H)(CH3)2(Cl)	H(C[6]C[6]2C)	106.2960	0.000	1	106.2960	0.000	1	106.4335	0.036	4	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:F-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCF)(H)	C(C[6]C[6]2H)(CH3)2(F)	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(C[6]C[6]2H)(CH3)2(F)	H(C[6]C[6]2C)	105.8100	0.000	1	105.8100	0.000	1	106.8655	2.228	2	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:F-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCCF)(H)	C(C[6]C[6]2H)(CH3)2(F)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCCF)(H){1|C<3>,3|H<1>}	C(C[6]C[6]2H)(CH3)2(F)	H(C[6]C[6]2C)	107.9210	0.000	1	107.9210	0.000	1	106.8655	2.228	2	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[3]C[6]O)(C[6]C[5,6]HO)(CCCH)(H)	C(C[6]C[6]2H)(CCHH)(CH3)(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(C[6]C[6]2H)(CCHH)(CH3)(H)	H(C[6]C[6]2C)	107.8300	0.161	2	107.8300	0.026	2	106.6216	0.711	342	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]BrH)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(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(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	107.1190	0.596	3	107.1190	0.355	3	106.6216	0.711	342	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(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(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	106.8980	0.000	1	106.8980	0.000	1	106.6216	0.711	342	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]ClH)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(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(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	106.4740	0.078	2	106.4740	0.006	2	106.6216	0.711	342	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(CCCH)(H)	C(C[6]C[6]2H)(CCHH)(CH3)(H)	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(C[6]C[6]2H)(CCHH)(CH3)(H)	H(C[6]C[6]2C)	105.7765	0.019	2	105.7765	0.000	2	106.6216	0.711	342	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(H)	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(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	107.3430	0.000	1	107.8200	0.455	2	106.6216	0.711	342	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(H)	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(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	108.2970	0.000	1	107.8200	0.455	2	106.6216	0.711	342	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HI)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(H)	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(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	107.3282	0.718	5	107.3282	0.515	5	106.6216	0.711	342	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(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(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	106.8575	0.153	2	106.6171	0.096	8	106.6216	0.711	342	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(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(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	106.9880	0.000	1	106.6171	0.096	8	106.6216	0.711	342	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(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(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	106.1805	0.046	2	106.6171	0.096	8	106.6216	0.711	342	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(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(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	106.7090	0.000	1	106.6171	0.096	8	106.6216	0.711	342	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(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(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	106.5820	0.020	2	106.6171	0.096	8	106.6216	0.711	342	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5]O[6]C)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]2H)(CCHH)(CH3)(H)	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(C[6]C[6]2H)(CCHH)(CH3)(H)	H(C[6]C[6]2C)	105.5140	0.000	1	105.5140	0.000	1	106.6216	0.711	342	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]2H)(CCHH)(CHHN)(H)	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(C[6]C[6]2H)(CCHH)(CHHN)(H)	H(C[6]C[6]2C)	106.6060	0.000	1	106.6060	0.000	1	106.6216	0.711	342	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]2H)(CCHH)(CH3)(H)	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(C[6]C[6]2H)(CCHH)(CH3)(H)	H(C[6]C[6]2C)	104.8970	0.000	1	104.8970	0.000	1	106.6216	0.711	342	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[3]H)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]2H)(CCHH)(CH3)(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(C[6]C[6]2H)(CCHH)(CH3)(H)	H(C[6]C[6]2C)	106.1870	0.000	1	106.1870	0.000	1	106.6216	0.711	342	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[5]H)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]2H)(CCHH)(CH3)(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(C[6]C[6]2H)(CCHH)(CH3)(H)	H(C[6]C[6]2C)	106.5520	0.000	1	106.5520	0.000	1	106.6216	0.711	342	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(H)	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(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	106.3305	0.073	2	106.7262	0.248	4	106.6216	0.711	342	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(H)	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(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	107.1220	0.334	2	106.7262	0.248	4	106.6216	0.711	342	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(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(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	107.0300	0.000	1	107.0300	0.000	1	106.6216	0.711	342	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(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(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	106.5190	0.223	2	106.5190	0.050	2	106.6216	0.711	342	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(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(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	106.8170	0.000	1	106.7485	0.027	4	106.6216	0.711	342	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(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(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	106.8340	0.066	2	106.7485	0.027	4	106.6216	0.711	342	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(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(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	106.5090	0.000	1	106.7485	0.027	4	106.6216	0.711	342	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]2H)(CHHO)(CH3)(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(C[6]C[6]2H)(CHHO)(CH3)(H)	H(C[6]C[6]2C)	107.2970	0.174	2	107.2970	0.030	2	106.6216	0.711	342	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(CCCH)(H)	C(C[6]C[6]2H)(CC[6]HH)(CCHH)(H)	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(C[6]C[6]2H)(CC[6]HH)(CCHH)(H)	H(C[6]C[6]2C)	108.3650	0.000	1	108.3650	0.000	1	106.6216	0.711	342	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(CCCH)(H)	C(C[6]C[6]2H)(CCHH)(CH3)(H)	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(C[6]C[6]2H)(CCHH)(CH3)(H)	H(C[6]C[6]2C)	106.3970	0.000	1	106.3970	0.000	1	106.6216	0.711	342	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]2H)(CH3)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(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	104.4560	0.000	1	106.3253	3.015	3	106.6216	0.711	342	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(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(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	107.8880	0.000	1	106.3253	3.015	3	106.6216	0.711	342	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(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(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	106.6320	0.000	1	106.3253	3.015	3	106.6216	0.711	342	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]AuH)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(H)	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(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	106.3250	0.000	1	106.3250	0.000	1	106.6216	0.711	342	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]2H)(CCHH)2(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(C[6]C[6]2H)(CCHH)2(H)	H(C[6]C[6]2C)	107.0910	0.000	1	107.0910	0.000	1	106.6216	0.711	342	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]2H)(CCHO)(CH3)(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(C[6]C[6]2H)(CCHO)(CH3)(H)	H(C[6]C[6]2C)	103.4250	0.000	1	103.4250	0.000	1	106.6216	0.711	342	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(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(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	106.5880	0.363	2	106.8108	0.131	13	106.6216	0.711	342	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(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(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	107.6070	0.000	1	106.8108	0.131	13	106.6216	0.711	342	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(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(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	106.8493	0.159	9	106.8108	0.131	13	106.6216	0.711	342	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(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(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	106.1130	0.000	1	106.8108	0.131	13	106.6216	0.711	342	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(H)	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(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	106.1261	0.796	8	106.1261	0.633	8	106.6216	0.711	342	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]2H)(CHHO)(CH3)(H)	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(C[6]C[6]2H)(CHHO)(CH3)(H)	H(C[6]C[6]2C)	105.2010	0.180	2	105.2010	0.032	2	106.6216	0.711	342	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]FeC)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(H)	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(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	105.9480	0.937	4	105.9480	0.879	4	106.6216	0.711	342	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(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(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	107.7470	0.000	1	106.9053	0.479	168	106.6216	0.711	342	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(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(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	107.1485	0.302	2	106.9053	0.479	168	106.6216	0.711	342	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(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(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	106.8972	0.694	165	106.9053	0.479	168	106.6216	0.711	342	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	C(C[6]C[6]2H)(CHHO)(CH3)(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(C[6]C[6]2H)(CHHO)(CH3)(H)	H(C[6]C[6]2C)	106.8240	0.059	2	106.8240	0.004	2	106.6216	0.711	342	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(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(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	106.4430	0.649	29	106.4430	0.421	29	106.6216	0.711	342	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]NN)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(H)	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(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	106.0180	0.000	1	106.0180	0.000	1	106.6216	0.711	342	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]OO)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(H)	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(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	105.3190	0.484	5	105.3190	0.234	5	106.6216	0.711	342	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(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(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	107.0050	0.377	3	107.0050	0.142	3	106.6216	0.711	342	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCCH)(H)	C(C[6]C[6]2H)(CC[6a]CH)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCCH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CC[6a]CH)(CCHH)(H)	H(C[6]C[6]2C)	106.6350	0.000	1	106.6350	0.000	1	106.6216	0.711	342	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCCH)(H){1|C<3>,3|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	107.2150	0.000	1	106.8354	0.313	12	106.6216	0.711	342	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(H)	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(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	106.9450	0.233	2	106.8354	0.313	12	106.6216	0.711	342	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCCH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	106.7908	0.671	8	106.8354	0.313	12	106.6216	0.711	342	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(H)	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(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	106.5940	0.000	1	106.8354	0.313	12	106.6216	0.711	342	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCCH)(H)	C(C[6]C[6]2H)(CHHO)(CH3)(H)	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(C[6]C[6]2H)(CHHO)(CH3)(H)	H(C[6]C[6]2C)	105.6980	1.539	2	105.8913	1.296	3	106.6216	0.711	342	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCCH)(H)	C(C[6]C[6]2H)(CHHO)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCCH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CHHO)(CH3)(H)	H(C[6]C[6]2C)	106.2780	0.000	1	105.8913	1.296	3	106.6216	0.711	342	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]P[6]CH)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(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(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	105.2800	0.000	1	105.2800	0.000	1	106.6216	0.711	342	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(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(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	105.1369	0.462	23	105.1369	0.213	23	106.6216	0.711	342	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(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(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	106.7740	0.000	1	106.7740	0.000	1	106.6216	0.711	342	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(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(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	106.4140	0.182	3	106.5160	0.214	6	106.6216	0.711	342	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(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(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	105.9020	0.000	1	106.5160	0.214	6	106.6216	0.711	342	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(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(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	106.9760	0.413	2	106.5160	0.214	6	106.6216	0.711	342	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]PtH)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(H)	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(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	106.7580	0.000	1	106.7580	0.000	1	106.6216	0.711	342	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]SnH)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(H)	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(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	106.4313	0.261	4	106.4313	0.068	4	106.6216	0.711	342	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(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(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	106.7300	0.000	1	106.7300	0.000	1	106.6216	0.711	342	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(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(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	107.0430	0.000	1	107.0430	0.000	1	106.6216	0.711	342	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]HH)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(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(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	106.9430	0.000	1	107.1120	0.057	2	106.6216	0.711	342	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]HH)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(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(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	107.2810	0.000	1	107.1120	0.057	2	106.6216	0.711	342	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHN)(H)	C(C[6]C[6]2H)(CC[6]HN)(NH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHN)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CC[6]HN)(NH3)(H)	H(C[6]C[6]2C)	108.4380	0.000	1	108.4380	0.000	1	108.1124	0.936	5	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHN)(H)	C(C[6]C[6]2H)(CH3)(NH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHN)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CH3)(NH3)(H)	H(C[6]C[6]2C)	108.0310	1.097	4	108.0310	1.203	4	108.1124	0.936	5	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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]HH)2(CC[6]CH)(H)	C(C[6]C[6]N[6]C)(C[6]C[6]2H)(CCHH)(H)	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(C[6]C[6]N[6]C)(C[6]C[6]2H)(CCHH)(H)	H(C[6]C[6]2C)	102.5000	0.389	2	102.5000	0.151	2	102.5000	0.151	2	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:Si-4:Si-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(CSi2H)(H)	C(C[6]C[6]2H)(SiC3)2(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(C[6]C[6]2H)(SiC3)2(H)	H(C[6]C[6]2C)	105.8570	0.000	1	105.8570	0.000	1	105.8570	0.000	1	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	N[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H)	C(C[6]N[5,6]C[6]H)(CH3)2(H)	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(C[6]N[5,6]C[6]H)(CH3)2(H)	H(C[6]N[5,6]C[6]C)	107.4290	0.000	1	107.4290	0.000	1	107.4290	0.000	1	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	N[6,6]-4:C[6,6]-4:C-4:H-1:	C[6]-4:C-4:C-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(C[6]C[6,6]N[6,6]H)(CH3)2(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(C[6]C[6,6]N[6,6]H)(CH3)2(H)	H(C[6]C[6,6]N[6,6]C)	106.7440	0.000	1	106.8190	0.011	2	106.8190	0.011	2	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	N[6,6]-4:C[6,6]-4:C-4:H-1:	C[6]-4:C-4:C-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(C[6]C[6,6]N[6,6]H)(CH3)2(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(C[6]C[6,6]N[6,6]H)(CH3)2(H)	H(C[6]C[6,6]N[6,6]C)	106.8940	0.000	1	106.8190	0.011	2	106.8190	0.011	2	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:1:	4:	S[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](S[6]C[6a]N[6]O)(C[6]C[6,6a]CH)(CCCH)(H)	C(C[6]C[6]S[6]H)(CCHH)(CH3)(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(C[6]C[6]S[6]H)(CCHH)(CH3)(H)	H(C[6]C[6]S[6]C)	107.3643	0.137	3	107.3643	0.019	3	107.3643	0.019	3	106.5108	1.101	481	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:O-2:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]CO)(H)	C(C[5]C[3,5]C[5]H)(C[6]C[5,6]C[6]H)(CH3)(OH)	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(C[5]C[3,5]C[5]H)(C[6]C[5,6]C[6]H)(CH3)(OH)	H(C[6]C[5,6]C[6]C)	104.8060	0.081	2	105.0890	0.146	6	105.0890	0.146	6	105.4236	0.950	48	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:O-2:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]CO)(H)	C(C[5]C[3,5]C[5]H)(C[6]C[5,6]C[6]H)(CH3)(OH)	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(C[5]C[3,5]C[5]H)(C[6]C[5,6]C[6]H)(CH3)(OH)	H(C[6]C[5,6]C[6]C)	104.6540	0.000	1	105.0890	0.146	6	105.0890	0.146	6	105.4236	0.950	48	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:O-2:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]CO)(H)	C(C[5]C[3,5]C[5]H)(C[6]C[5,6]C[6]H)(CH3)(OH)	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(C[5]C[3,5]C[5]H)(C[6]C[5,6]C[6]H)(CH3)(OH)	H(C[6]C[5,6]C[6]C)	105.4227	0.141	3	105.0890	0.146	6	105.0890	0.146	6	105.4236	0.950	48	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-4:O-2:	C[6]-4:	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]HH)(CCCO)(H)	C(C[6]C[5,6]C[6]H)(CH3)2(OO)	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(C[6]C[5,6]C[6]H)(CH3)2(OO)	H(C[6]C[5,6]C[6]C)	105.9240	0.000	1	105.9240	0.000	1	105.9240	0.000	1	105.4236	0.950	48	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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[5]-4:C-4:O-2:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]CO)(H)	C(C[6]C[5,6]C[6]H)(C[5]C[5]2H)(CH3)(OH)	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(C[6]C[5,6]C[6]H)(C[5]C[5]2H)(CH3)(OH)	H(C[6]C[5,6]C[6]C)	105.2910	0.000	1	104.6017	0.210	10	104.6017	0.210	10	105.4236	0.950	48	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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[5]-4:C-4:O-2:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]CO)(H)	C(C[6]C[5,6]C[6]H)(C[5]C[5]2H)(CH3)(OH)	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(C[6]C[5,6]C[6]H)(C[5]C[5]2H)(CH3)(OH)	H(C[6]C[5,6]C[6]C)	104.6546	0.531	5	104.6017	0.210	10	104.6017	0.210	10	105.4236	0.950	48	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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[5]-4:C-4:O-2:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]CO)(H)	C(C[6]C[5,6]C[6]H)(C[5]C[5]2H)(CH3)(OH)	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(C[6]C[5,6]C[6]H)(C[5]C[5]2H)(CH3)(OH)	H(C[6]C[5,6]C[6]C)	104.3632	0.123	4	104.6017	0.210	10	104.6017	0.210	10	105.4236	0.950	48	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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]2H)(CC[6]CO)(H)	C(C[6]C[5,6]C[6]H)(C[6]C[6]O[6]O)(CH3)(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]2H)(CC[6]CO)(H){1|C<3>,2|O<2>,3|H<1>,5|C<4>}	C(C[6]C[5,6]C[6]H)(C[6]C[6]O[6]O)(CH3)(OH)	H(C[6]C[5,6]C[6]C)	107.9880	0.000	1	107.9880	0.000	1	107.9880	0.000	1	105.4236	0.950	48	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(CCCO)(H)	C(C[6]C[6,6]C[6]H)(CH3)2(OC)	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(C[6]C[6,6]C[6]H)(CH3)2(OC)	H(C[6]C[6,6]C[6]C)	104.8440	0.000	1	104.8440	0.000	1	105.3515	0.515	2	105.4236	0.950	48	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(CCCO)(H)	C(C[6]C[6,6]C[6]H)(CH3)2(OH)	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(C[6]C[6,6]C[6]H)(CH3)2(OH)	H(C[6]C[6,6]C[6]C)	105.8590	0.000	1	105.8590	0.000	1	105.3515	0.515	2	105.4236	0.950	48	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:O-2:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[3]CO)(H)	C(C[3]C[3]2H)(C[6]C[6]2H)(CH3)(OH)	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(C[3]C[3]2H)(C[6]C[6]2H)(CH3)(OH)	H(C[6]C[6]2C)	106.5570	0.230	3	106.5570	0.053	3	106.5570	0.053	3	105.4236	0.950	48	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:N-2:	C[6]-4:	C[6](C[6]C[6]HH)2(CCCN)(H)	C(C[6]C[6]2H)(CH3)2(NC)	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(C[6]C[6]2H)(CH3)2(NC)	H(C[6]C[6]2C)	106.3700	0.000	1	106.3700	0.000	1	106.3700	0.000	1	105.4236	0.950	48	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(CCCO)(H)	C(C[6]C[6]2H)(CH3)2(OH)	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(C[6]C[6]2H)(CH3)2(OH)	H(C[6]C[6]2C)	105.7280	0.000	1	105.7280	0.000	1	105.5470	0.957	24	105.4236	0.950	48	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(CCCO)(H)	C(C[6]C[6]2H)(CH3)2(OH)	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(C[6]C[6]2H)(CH3)2(OH)	H(C[6]C[6]2C)	106.9530	0.000	1	106.9530	0.000	1	105.5470	0.957	24	105.4236	0.950	48	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H)	C(C[6]C[6]2H)(CH3)2(OC)	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(C[6]C[6]2H)(CH3)2(OC)	H(C[6]C[6]2C)	104.0410	0.000	1	105.0671	0.369	7	105.5470	0.957	24	105.4236	0.950	48	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H)	C(C[6]C[6]2H)(CH3)2(OC)	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(C[6]C[6]2H)(CH3)2(OC)	H(C[6]C[6]2C)	105.0910	0.000	1	105.0671	0.369	7	105.5470	0.957	24	105.4236	0.950	48	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H)	C(C[6]C[6]2H)(CH3)2(OC)	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(C[6]C[6]2H)(CH3)2(OC)	H(C[6]C[6]2C)	105.2100	0.027	2	105.0671	0.369	7	105.5470	0.957	24	105.4236	0.950	48	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H)	C(C[6]C[6]2H)(CH3)2(OC)	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(C[6]C[6]2H)(CH3)2(OC)	H(C[6]C[6]2C)	105.3060	0.689	3	105.0671	0.369	7	105.5470	0.957	24	105.4236	0.950	48	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(CCCO)(H)	C(C[6]C[6]2H)(CH3)2(OH)	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(C[6]C[6]2H)(CH3)2(OH)	H(C[6]C[6]2C)	106.4950	0.000	1	106.4950	0.000	1	105.5470	0.957	24	105.4236	0.950	48	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCO)(H)	C(C[6]C[6]2H)(CH3)2(OH)	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(C[6]C[6]2H)(CH3)2(OH)	H(C[6]C[6]2C)	104.9407	0.409	4	104.9407	0.167	4	105.5470	0.957	24	105.4236	0.950	48	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCO)(H)	C(C[6]C[6]2H)(CHHO)(CH3)(OH)	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(C[6]C[6]2H)(CHHO)(CH3)(OH)	H(C[6]C[6]2C)	106.8370	0.000	1	106.8370	0.000	1	105.5470	0.957	24	105.4236	0.950	48	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCO)(H)	C(C[6]C[6]2H)(CH3)2(OH)	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(C[6]C[6]2H)(CH3)2(OH)	H(C[6]C[6]2C)	106.4070	0.000	1	106.4070	0.000	1	105.5470	0.957	24	105.4236	0.950	48	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCO)(H)	C(C[6]C[6]2H)(CHHO)(CH3)(OH)	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(C[6]C[6]2H)(CHHO)(CH3)(OH)	H(C[6]C[6]2C)	105.9140	0.000	1	105.9140	0.000	1	105.5470	0.957	24	105.4236	0.950	48	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(CCCO)(H)	C(C[6]C[6]2H)(CH3)2(OH)	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(C[6]C[6]2H)(CH3)2(OH)	H(C[6]C[6]2C)	103.0320	0.000	1	103.0320	0.000	1	105.5470	0.957	24	105.4236	0.950	48	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCCO)(H)	C(C[6]C[6]2H)(CH3)2(OC)	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(C[6]C[6]2H)(CH3)2(OC)	H(C[6]C[6]2C)	105.4980	0.000	1	105.4980	0.000	1	105.5470	0.957	24	105.4236	0.950	48	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCO)(H)	C(C[6]C[6]2H)(CH3)2(OH)	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(C[6]C[6]2H)(CH3)2(OH)	H(C[6]C[6]2C)	105.6020	0.000	1	105.6020	0.000	1	105.5470	0.957	24	105.4236	0.950	48	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]HH)2(CCCO)(H)	C(C[6]C[6]2H)(CH3)2(OC)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCCO)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CH3)2(OC)	H(C[6]C[6]2C)	106.9080	0.000	1	106.9080	0.000	1	105.5470	0.957	24	105.4236	0.950	48	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]HH)2(CCCO)(H)	C(C[6]C[6]2H)(CH3)2(OH)	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(C[6]C[6]2H)(CH3)2(OH)	H(C[6]C[6]2C)	106.4980	0.000	1	106.4980	0.000	1	105.5470	0.957	24	105.4236	0.950	48	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCCO)(H)	C(C[6]C[6]2H)(CH3)2(OH)	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(C[6]C[6]2H)(CH3)2(OH)	H(C[6]C[6]2C)	106.8020	0.000	1	106.8020	0.000	1	105.5470	0.957	24	105.4236	0.950	48	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(CCCO)(H)	C(C[6]C[6]2H)(CH3)2(OH)	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(C[6]C[6]2H)(CH3)2(OH)	H(C[6]C[6]2C)	105.2200	0.000	1	105.2200	0.000	1	105.5470	0.957	24	105.4236	0.950	48	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:3:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(CC3)(H)	C(C[6]C[5,6]C[6]H)(CH3)2(COO)	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(C[6]C[5,6]C[6]H)(CH3)2(COO)	H(C[6]C[5,6]C[6]C)	105.0690	0.000	1	105.0690	0.000	1	105.0690	0.000	1	106.6471	0.623	10	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]MoH)(CC3)(H)	C(C[6]C[6]2H)(CH3)2(COO)	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(C[6]C[6]2H)(CH3)2(COO)	H(C[6]C[6]2C)	106.8850	0.000	1	106.8850	0.000	1	106.8445	0.378	6	106.6471	0.623	10	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HW)(CC3)(H)	C(C[6]C[6]2H)(CH3)2(COO)	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(C[6]C[6]2H)(CH3)2(COO)	H(C[6]C[6]2C)	106.5350	0.000	1	107.0480	0.526	2	106.8445	0.378	6	106.6471	0.623	10	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HW)(CC3)(H)	C(C[6]C[6]2H)(CH3)2(COO)	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(C[6]C[6]2H)(CH3)2(COO)	H(C[6]C[6]2C)	107.5610	0.000	1	107.0480	0.526	2	106.8445	0.378	6	106.6471	0.623	10	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)2(CC3)(H)	C(C[6]C[6]2H)(CH3)2(CCC)	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(C[6]C[6]2H)(CH3)2(CCC)	H(C[6]C[6]2C)	105.8210	0.000	1	105.8210	0.000	1	106.8445	0.378	6	106.6471	0.623	10	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)2(CC3)(H)	C(C[6]C[6]2H)(CH3)2(COO)	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(C[6]C[6]2H)(CH3)2(COO)	H(C[6]C[6]2C)	107.3150	0.000	1	107.3150	0.000	1	106.8445	0.378	6	106.6471	0.623	10	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]HW)(C[6]N[6]CH)(CC3)(H)	C(C[6]C[6]2H)(CH3)2(COO)	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(C[6]C[6]2H)(CH3)2(COO)	H(C[6]C[6]2C)	106.9500	0.000	1	106.9500	0.000	1	106.8445	0.378	6	106.6471	0.623	10	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:N-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCCN)(H)	C(C[6]C[6]2H)(CH3)2(NCH)	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(C[6]C[6]2H)(CH3)2(NCH)	H(C[6]C[6]2C)	106.1980	0.000	1	106.1980	0.000	1	106.7783	0.470	3	106.6471	0.623	10	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:N-3:	C[6]-4:	C[6](C[6]C[6]HH)2(CCCN)(H)	C(C[6]C[6]2H)(CHHS)(CH3)(NHS)	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(C[6]C[6]2H)(CHHS)(CH3)(NHS)	H(C[6]C[6]2C)	106.6020	0.000	1	106.6020	0.000	1	106.7783	0.470	3	106.6471	0.623	10	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:N-3:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CCCN)(H)	C(C[6]C[6]2H)(CH3)2(NCH)	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(C[6]C[6]2H)(CH3)2(NCH)	H(C[6]C[6]2C)	107.5350	0.000	1	107.5350	0.000	1	106.7783	0.470	3	106.6471	0.623	10	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:4:	4:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C(C[6]C[3,6]2H)(CCHH)(CH3)2	H(C[6]C[3,6]2C)	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H){2|Br<1>,2|Cl<1>,2|H<1>,4|C<4>}	C(C[6]C[3,6]2H)(CCHH)(CH3)2	H(C[6]C[3,6]2C)	107.4773	0.409	3	106.8805	0.876	8	106.4669	1.748	17	106.0052	2.547	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:4:	4:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C(C[6]C[3,6]2H)(CCHH)(CH3)2	H(C[6]C[3,6]2C)	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H){2|Br<1>,4|C<4>,4|H<1>}	C(C[6]C[3,6]2H)(CCHH)(CH3)2	H(C[6]C[3,6]2C)	106.9975	0.233	2	106.8805	0.876	8	106.4669	1.748	17	106.0052	2.547	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:4:	4:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C(C[6]C[3,6]2H)(CCHH)(CH3)2	H(C[6]C[3,6]2C)	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H){2|Cl<1>,4|C<4>,4|H<1>}	C(C[6]C[3,6]2H)(CCHH)(CH3)2	H(C[6]C[3,6]2C)	106.9385	0.244	2	106.8805	0.876	8	106.4669	1.748	17	106.0052	2.547	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:4:	4:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C(C[6]C[3,6]2H)(CCHH)(CH3)2	H(C[6]C[3,6]2C)	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H){4|Cl<1>,2|H<1>,4|C<4>}	C(C[6]C[3,6]2H)(CCHH)(CH3)2	H(C[6]C[3,6]2C)	104.7400	0.000	1	106.8805	0.876	8	106.4669	1.748	17	106.0052	2.547	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:4:	4:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C(C[6]C[3,6]2H)(CCHH)(CH3)2	H(C[6]C[3,6]2C)	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3]2C[6])(CC3)(H){2|Cl<1>,3|H<1>,4|C<4>}	C(C[6]C[3,6]2H)(CCHH)(CH3)2	H(C[6]C[3,6]2C)	106.4680	0.000	1	106.4680	0.000	1	106.4669	1.748	17	106.0052	2.547	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:4:	4:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C(C[6]C[3,6]2H)(CCHH)(CH3)2	H(C[6]C[3,6]2C)	C[6](C[3,6]C[3,6]O[3]H)(C[3,6]C[3]2C[6])(CC3)(H){2|Br<1>,2|H<1>,4|C<4>}	C(C[6]C[3,6]2H)(CCHH)(CH3)2	H(C[6]C[3,6]2C)	105.4570	0.000	1	105.7092	0.436	5	106.4669	1.748	17	106.0052	2.547	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:4:	4:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C(C[6]C[3,6]2H)(CCHH)(CH3)2	H(C[6]C[3,6]2C)	C[6](C[3,6]C[3,6]O[3]H)(C[3,6]C[3]2C[6])(CC3)(H){2|Cl<1>,2|H<1>,4|C<4>}	C(C[6]C[3,6]2H)(CCHH)(CH3)2	H(C[6]C[3,6]2C)	105.5960	0.804	3	105.7092	0.436	5	106.4669	1.748	17	106.0052	2.547	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:4:	4:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C(C[6]C[3,6]2H)(CCHH)(CH3)2	H(C[6]C[3,6]2C)	C[6](C[3,6]C[3,6]O[3]H)(C[3,6]C[3]2C[6])(CC3)(H){4|C<4>,4|H<1>}	C(C[6]C[3,6]2H)(CCHH)(CH3)2	H(C[6]C[3,6]2C)	106.3010	0.000	1	105.7092	0.436	5	106.4669	1.748	17	106.0052	2.547	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:4:	4:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[3,6]C[3]C[6]O[3])(C[3,6]C[3,6]C[3]H)(CC3)(H)	C(C[6]C[3,6]2H)(CCHH)(CH3)2	H(C[6]C[3,6]2C)	C[6](C[3,6]C[3]C[6]O[3])(C[3,6]C[3,6]C[3]H)(CC3)(H){2|Br<1>,2|H<1>,4|C<4>}	C(C[6]C[3,6]2H)(CCHH)(CH3)2	H(C[6]C[3,6]2C)	105.0055	0.074	2	106.6267	7.887	3	106.4669	1.748	17	106.0052	2.547	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:4:	4:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[3,6]C[3]C[6]O[3])(C[3,6]C[3,6]C[3]H)(CC3)(H)	C(C[6]C[3,6]2H)(CCHH)(CH3)2	H(C[6]C[3,6]2C)	C[6](C[3,6]C[3]C[6]O[3])(C[3,6]C[3,6]C[3]H)(CC3)(H){2|Cl<1>,2|H<1>,4|C<4>}	C(C[6]C[3,6]2H)(CCHH)(CH3)2	H(C[6]C[3,6]2C)	109.8690	0.000	1	106.6267	7.887	3	106.4669	1.748	17	106.0052	2.547	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-4:C-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[3]C[6]H)(CC3)(H)	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	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(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	H(C[6]C[3,6]C[6]C)	99.4567	0.000	1	101.5319	7.361	3	104.3352	9.251	13	106.0052	2.547	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-4:C-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[3]C[6]H)(CC3)(H)	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	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(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	H(C[6]C[3,6]C[6]C)	104.6020	0.000	1	101.5319	7.361	3	104.3352	9.251	13	106.0052	2.547	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-4:C-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[3]C[6]H)(CC3)(H)	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	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(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	H(C[6]C[3,6]C[6]C)	100.5370	0.000	1	101.5319	7.361	3	104.3352	9.251	13	106.0052	2.547	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-4:C-4:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3]C[6]H)(CC3)(H)	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	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(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	H(C[6]C[3,6]C[6]C)	106.2420	0.000	1	103.8010	17.342	4	104.3352	9.251	13	106.0052	2.547	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-4:C-4:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3]C[6]H)(CC3)(H)	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	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(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	H(C[6]C[3,6]C[6]C)	102.9873	4.695	3	103.8010	17.342	4	104.3352	9.251	13	106.0052	2.547	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-4:C-4:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]B[6a]C[6]H)(CC3)(H)	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	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(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	H(C[6]C[3,6]C[6]C)	106.1443	0.555	3	106.1443	0.308	3	104.3352	9.251	13	106.0052	2.547	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-4:C-4:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(CC3)(H)	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)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(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	H(C[6]C[3,6]C[6]C)	106.4820	0.000	1	106.4820	0.000	1	104.3352	9.251	13	106.0052	2.547	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-4:C-4:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)(CC3)(H)	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	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(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	H(C[6]C[3,6]C[6]C)	105.6200	0.000	1	105.6200	0.000	1	104.3352	9.251	13	106.0052	2.547	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-4:C-4:	C[6]-4:	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(CC3)(H)	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	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(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	H(C[6]C[3,6]C[6]C)	106.0230	0.000	1	106.0230	0.000	1	104.3352	9.251	13	106.0052	2.547	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5]-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]HH)(CC[5]CC)(H)	C(C[5]C[5,6a]C[5]H)(C[6]C[5,6]C[6]H)(CH3)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(C[5]C[5,6a]C[5]H)(C[6]C[5,6]C[6]H)(CH3)2	H(C[6]C[5,6]C[6]C)	105.9260	0.000	1	105.9260	0.000	1	105.9260	0.000	1	106.0052	2.547	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-4:C-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CC3)(H)	C(C[6]C[5,6]C[6]H)(CH3)3	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(C[6]C[5,6]C[6]H)(CH3)3	H(C[6]C[5,6]C[6]C)	104.8510	0.260	2	104.8510	0.068	2	104.9360	0.076	4	106.0052	2.547	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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-4:C-4:C-4:	C[6]-4:	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(CC3)(H)	C(C[6]C[5,6]C[6]H)(CH3)3	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(C[6]C[5,6]C[6]H)(CH3)3	H(C[6]C[5,6]C[6]C)	105.0210	0.363	2	105.0210	0.132	2	104.9360	0.076	4	106.0052	2.547	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[5]CC)(H)	C(C[5]C[5,6a]C[5]H)(C[6]C[6]2H)(CH3)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(C[5]C[5,6a]C[5]H)(C[6]C[6]2H)(CH3)2	H(C[6]C[6]2C)	105.7840	0.000	1	105.7840	0.000	1	105.7840	0.000	1	106.0052	2.547	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CC3)(H)	C(C[6]C[6]2H)(CCHH)(CH3)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(C[6]C[6]2H)(CCHH)(CH3)2	H(C[6]C[6]2C)	103.1340	0.000	1	103.1340	0.000	1	106.2442	1.254	72	106.0052	2.547	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(CC3)(H)	C(C[6]C[6]2H)(CH3)3	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(C[6]C[6]2H)(CH3)3	H(C[6]C[6]2C)	106.6020	0.000	1	106.6020	0.000	1	106.2442	1.254	72	106.0052	2.547	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(CC3)(H)	C(C[6]C[6]2H)(CCHH)(CH3)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(C[6]C[6]2H)(CCHH)(CH3)2	H(C[6]C[6]2C)	102.0690	0.000	1	102.0690	0.000	1	106.2442	1.254	72	106.0052	2.547	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC3)(H)	C(C[6]C[6]2H)(CH3)3	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(C[6]C[6]2H)(CH3)3	H(C[6]C[6]2C)	104.7230	0.000	1	106.0165	3.346	2	106.2442	1.254	72	106.0052	2.547	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC3)(H)	C(C[6]C[6]2H)(CH3)3	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(C[6]C[6]2H)(CH3)3	H(C[6]C[6]2C)	107.3100	0.000	1	106.0165	3.346	2	106.2442	1.254	72	106.0052	2.547	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CC3)(H)	C(C[6]C[6]2H)(CCHH)(CH3)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(C[6]C[6]2H)(CCHH)(CH3)2	H(C[6]C[6]2C)	106.6580	0.000	1	106.9673	0.053	6	106.2442	1.254	72	106.0052	2.547	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CC3)(H)	C(C[6]C[6]2H)(CCHH)(CH3)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(C[6]C[6]2H)(CCHH)(CH3)2	H(C[6]C[6]2C)	107.0292	0.194	5	106.9673	0.053	6	106.2442	1.254	72	106.0052	2.547	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC3)(H)	C(C[6]C[6]2H)(CH3)3	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(C[6]C[6]2H)(CH3)3	H(C[6]C[6]2C)	106.5010	0.000	1	106.5010	0.000	1	106.2442	1.254	72	106.0052	2.547	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)2(CC3)(H)	C(C[6]C[6]2H)(CCHH)(CH3)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(C[6]C[6]2H)(CCHH)(CH3)2	H(C[6]C[6]2C)	106.4120	0.000	1	106.4120	0.000	1	106.2442	1.254	72	106.0052	2.547	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)2(CC3)(H)	C(C[6]C[6]2H)(CH3)3	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)2(CC3)(H){2|H<1>,3|C<4>}	C(C[6]C[6]2H)(CH3)3	H(C[6]C[6]2C)	103.6520	0.000	1	103.6520	0.000	1	106.2442	1.254	72	106.0052	2.547	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC3)(H)	C(C[6]C[6]2H)(CH3)3	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(C[6]C[6]2H)(CH3)3	H(C[6]C[6]2C)	106.5933	0.117	3	106.5933	0.014	3	106.2442	1.254	72	106.0052	2.547	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC3)(H)	C(C[6]C[6]2H)(CH3)3	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(C[6]C[6]2H)(CH3)3	H(C[6]C[6]2C)	106.9020	0.000	1	106.9020	0.000	1	106.2442	1.254	72	106.0052	2.547	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC3)(H)	C(C[6]C[6]2H)(CCHH)(CH3)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(C[6]C[6]2H)(CCHH)(CH3)2	H(C[6]C[6]2C)	106.4690	0.000	1	106.4690	0.000	1	106.2442	1.254	72	106.0052	2.547	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC3)(H)	C(C[6]C[6]2H)(CCHH)(CH3)2	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(C[6]C[6]2H)(CCHH)(CH3)2	H(C[6]C[6]2C)	104.5630	0.000	1	104.5630	0.000	1	106.2442	1.254	72	106.0052	2.547	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)2(CC3)(H)	C(C[6]C[6]2H)(CH3)3	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(C[6]C[6]2H)(CH3)3	H(C[6]C[6]2C)	106.2590	0.000	1	106.3816	0.819	48	106.2442	1.254	72	106.0052	2.547	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)2(CC3)(H)	C(C[6]C[6]2H)(CH3)3	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(C[6]C[6]2H)(CH3)3	H(C[6]C[6]2C)	105.5320	1.336	3	106.3816	0.819	48	106.2442	1.254	72	106.0052	2.547	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)2(CC3)(H)	C(C[6]C[6]2H)(CH3)3	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC3)(H){1|C<3>,4|H<1>}	C(C[6]C[6]2H)(CH3)3	H(C[6]C[6]2C)	106.6230	0.000	1	106.3816	0.819	48	106.2442	1.254	72	106.0052	2.547	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)2(CC3)(H)	C(C[6]C[6]2H)(CH3)3	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC3)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CH3)3	H(C[6]C[6]2C)	106.5254	0.622	39	106.3816	0.819	48	106.2442	1.254	72	106.0052	2.547	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)2(CC3)(H)	C(C[6]C[6]2H)(CH3)3	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC3)(H){1|C<5>,4|H<1>}	C(C[6]C[6]2H)(CH3)3	H(C[6]C[6]2C)	106.5430	0.000	1	106.3816	0.819	48	106.2442	1.254	72	106.0052	2.547	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)2(CC3)(H)	C(C[6]C[6]2H)(CH3)3	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC3)(H){2|H<1>,3|C<4>}	C(C[6]C[6]2H)(CH3)3	H(C[6]C[6]2C)	106.6250	0.000	1	106.3816	0.819	48	106.2442	1.254	72	106.0052	2.547	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)2(CC3)(H)	C(C[6]C[6]2H)(CH3)3	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC3)(H){3|C<3>}	C(C[6]C[6]2H)(CH3)3	H(C[6]C[6]2C)	104.5890	3.265	2	106.3816	0.819	48	106.2442	1.254	72	106.0052	2.547	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]MoP)(C[6]C[6]CH)(CC3)(H)	C(C[6]C[6]2H)(CH3)3	H(C[6]C[6]2C)	C[6](C[6]C[6]MoP)(C[6]C[6]CH)(CC3)(H){3|C<4>}	C(C[6]C[6]2H)(CH3)3	H(C[6]C[6]2C)	106.9140	0.000	1	106.9140	0.000	1	106.2442	1.254	72	106.0052	2.547	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(CC3)(H)	C(C[6]C[6]2H)(CH3)3	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(C[6]C[6]2H)(CH3)3	H(C[6]C[6]2C)	104.7110	0.000	1	104.7110	0.000	1	106.2442	1.254	72	106.0052	2.547	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC3)(H)	C(C[6]C[6]2H)(CH3)3	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(C[6]C[6]2H)(CH3)3	H(C[6]C[6]2C)	104.8850	0.000	1	104.8850	0.000	1	106.2442	1.254	72	106.0052	2.547	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[6]S[6]HH)2(CC3)(H)	C(C[6]C[6]2H)(CH3)3	H(C[6]C[6]2C)	C[6](C[6]S[6]HH)2(CC3)(H){1|C<4>}	C(C[6]C[6]2H)(CH3)3	H(C[6]C[6]2C)	106.8360	0.000	1	106.8360	0.000	1	106.2442	1.254	72	106.0052	2.547	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	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]HH)2(CC[6]CC)(H)	C(C[6]C[6]2H)2(CH3)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(C[6]C[6]2H)2(CH3)2	H(C[6]C[6]2C)	106.6205	0.050	2	106.6205	0.003	2	106.6205	0.003	2	106.0052	2.547	110	107.6050	5.001	8559	107.5836	4.943	8919
466	490	951	0:SP3_SP-NON_SP3	C[6]	C	H	5:4:4:1:	4:4:4:1:	4:	C[6]-5:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CoHH)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(H)	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(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2C)	107.7140	0.000	1	107.7140	0.000	1	107.7140	0.000	1	107.7140	0.000	1	107.6050	5.001	8559	107.5836	4.943	8919