474	762	952	0:SP3_SP2_SP3	C[5,6]	C[6]	S	4:4:3:4:	4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-3:S-4:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:O-1:O-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5]S)(C[6]C[6]H)(H)	S(C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]2)(O)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(C[6]C[6]H)(SC[6a]OO){1|C<4>,1|O<2>,2|S<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]S)(C[6]C[6]H)(H){4|C<4>,4|H<1>}	S(C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]2)(O)2	106.4170	0.000	1	106.4170	0.000	1	107.0800	5.817	3	107.0800	5.817	3	106.8945	4.016	4	106.8945	4.016	4
474	762	952	0:SP3_SP2_SP3	C[5,6]	C[6]	S	4:4:3:4:	4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-3:S-4:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:O-1:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]H)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5]S)(C[6]C[6]H)(H)	S(C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]2)(O)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]H)(SC[6a]OO){1|C<4>,1|O<2>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]S)(C[6]C[6]H)(H){1|O<2>,3|C<4>,4|H<1>}	S(C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]2)(O)2	107.4115	3.313	2	107.4115	10.975	2	107.0800	5.817	3	107.0800	5.817	3	106.8945	4.016	4	106.8945	4.016	4
474	762	952	0:SP3_SP2_SP3	C[5,6]	C[6]	S	4:4:3:4:	4:3:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-3:S-4:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C-4:O-1:O-1:	C[5,6](C[5,6]C[6a]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]H)(SCOO)	C[6](C[5,6]C[5,6]C[5]S)(C[6]C[6]H)(H)	S(C[5,6]C[5,6]C[5]C[6])(CCHH)(O)2	C[5,6](C[5,6]C[6a]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]H)(SCOO){2|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]S)(C[6]C[6]H)(H){1|C<3>,1|N<4>,2|C<4>,4|H<1>}	S(C[5,6]C[5,6]C[5]C[6])(CCHH)(O)2	106.3380	0.000	1	106.3380	0.000	1	106.3380	0.000	1	106.3380	0.000	1	106.8945	4.016	4	106.8945	4.016	4
474	762	955	0:SP3_SP2_SP3	C[5,6]	C[6]	P[5]	3:3:2:4:	4:3:1:	4:2:4:4:	C[6,6a]-3:C[6]-3:O[5]-2:P[5]-4:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[5]B[5,5a])(P[5]O[5]CC)	C[6](C[5,6]C[6,6a]O[5]P[5])(C[6,6a]C[6,6a]C[6a])(O)	P[5](C[5,6]C[6,6a]C[6]O[5])(O[5]B[5,5a])(CC3)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[5]B[5,5a])(P[5]O[5]CC){1|H<1>,2|O<2>,4|C<3>}	C[6](C[5,6]C[6,6a]O[5]P[5])(C[6,6a]C[6,6a]C[6a])(O){1|B<4>,1|H<1>,1|O<2>,2|C<4>,4|C<3>}	P[5](C[5,6]C[6,6a]C[6]O[5])(O[5]B[5,5a])(CC3)2{1|O<1>,2|O<2>,3|C<3>}	113.9230	0.000	1	113.9230	0.000	1	113.9230	0.000	1	113.9230	0.000	1	112.0680	6.882	2	112.0680	6.882	2
474	762	955	0:SP3_SP2_SP3	C[5,6]	C[6]	P[5]	4:4:3:1:	4:3:1:	4:3:3:1:	C[5,6]-4:P[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(P[5]C[6a]N[5]O)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]P[5]H)(C[6]C[6]H)(H)	P[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(P[5]C[6a]N[5]O)(C[6]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]P[5]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	P[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]C)(O){5|C<3>,5|H<1>}	110.2130	0.000	1	110.2130	0.000	1	110.2130	0.000	1	110.2130	0.000	1	112.0680	6.882	2	112.0680	6.882	2
474	762	955	6:SP3_SP2_SP3	C[5,4x6]	C[6,6]	P[5,5,3x6]	4:4:3:3:	4:3:1:	4:4:2:1:	C[5,5x6]-4:P[5,5,3x6]-4:C[6,6]-3:C[6a]-3:	C[5,4x6]-4:C[6,6]-3:H-1:	C[5,4x6]-4:C[5,5x6]-4:O[5,5]-2:O-1:	C[5,4x6](C[5,5x6]P[5,5,3x6]C[5x6]C[6a])(P[5,5,3x6]C[5,5x6]O[5,5]O)(C[6,6]C[6,6]H)(C[6a]C[6a]2)	C[6,6](C[5,4x6]P[5,5,3x6]C[5,5x6]C[6a])(C[6,6]C[5x6]C[6a])(H)	P[5,5,3x6](C[5,4x6]C[5,5x6]C[6,6]C[6a])(C[5,5x6]C[5,4x6]C[5x6]C[6a])(O[5,5]P[5,5,3x6])(O)	C[5,4x6](C[5,5x6]P[5,5,3x6]C[5x6]C[6a])(P[5,5,3x6]C[5,5x6]O[5,5]O)(C[6,6]C[6,6]H)(C[6a]C[6a]2){1|O<1>,2|C<4>,3|H<1>,7|C<3>}	C[6,6](C[5,4x6]P[5,5,3x6]C[5,5x6]C[6a])(C[6,6]C[5x6]C[6a])(H){1|H<1>,1|O<1>,1|O<2>,1|P<4>,2|C<4>,5|C<3>}	P[5,5,3x6](C[5,4x6]C[5,5x6]C[6,6]C[6a])(C[5,5x6]C[5,4x6]C[5x6]C[6a])(O[5,5]P[5,5,3x6])(O){1|C<4>,1|O<1>,2|H<1>,8|C<3>}	101.8275	1.268	4	101.8275	1.609	4	101.8275	1.609	4	101.8275	1.609	4	101.8275	1.609	4	101.8275	1.609	4
474	762	956	0:SP3_SP2_SP2	C[5,6]	C[6]	N	2:3:4:3:	4:4:1:	4:3:1:	O[5,6]-2:C[6]-3:C[5]-4:N-3:	C[6,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C-3:H-1:	C[5,6](O[5,6]C[5,6])(C[6]C[6,6]O)(C[5]C[5]HH)(NCH)	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]O[5,6]C[5]N)(O)	N(C[5,6]O[5,6]C[5]C[6])(CCO)(H)	C[5,6](O[5,6]C[5,6])(C[6]C[6,6]O)(C[5]C[5]HH)(NCH){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]O[5,6]C[5]N)(O){2|C<3>,3|C<4>,4|H<1>}	N(C[5,6]O[5,6]C[5]C[6])(CCO)(H)	110.4185	1.653	2	110.4185	2.731	2	110.1537	1.576	3	110.1537	1.576	3	109.7112	3.590	11	109.7112	3.590	11
474	762	956	0:SP3_SP2_SP2	C[5,6]	C[6]	N	2:3:4:3:	4:4:1:	4:3:1:	O[5,6]-2:C[6]-3:C[5]-4:N-3:	C[6,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C-3:H-1:	C[5,6](O[5,6]C[5,6])(C[6]C[6,6]O)(C[5]C[5]HH)(NCH)	C[6](C[6,6]C[5a,6]C[6,6]H)(C[5,6]O[5,6]C[5]N)(O)	N(C[5,6]O[5,6]C[5]C[6])(CCO)(H)	C[5,6](O[5,6]C[5,6])(C[6]C[6,6]O)(C[5]C[5]HH)(NCH){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[5a,6]C[6,6]H)(C[5,6]O[5,6]C[5]N)(O){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	N(C[5,6]O[5,6]C[5]C[6])(CCO)(H)	109.6240	0.000	1	109.6240	0.000	1	110.1537	1.576	3	110.1537	1.576	3	109.7112	3.590	11	109.7112	3.590	11
474	762	956	0:SP3_SP2_SP2	C[5,6]	C[6]	N	2:4:3:3:	4:3:1:	4:3:1:	O[5,6]-2:C[5]-4:C[6]-3:N-3:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C-3:H-1:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]O)(NCH)	C[6](C[5,6]O[5,6]C[5]N)(C[6]C[6]H)(O)	N(C[5,6]O[5,6]C[5]C[6])(CCO)(H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]O)(NCH){1|C<2>,2|C<3>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]N)(C[6]C[6]H)(O){2|C<4>,3|H<1>}	N(C[5,6]O[5,6]C[5]C[6])(CCO)(H)	111.8095	1.486	2	111.8095	2.207	2	111.8095	2.207	2	111.8095	2.207	2	109.7112	3.590	11	109.7112	3.590	11
474	762	956	0:SP3_SP2_SP2	C[5,6]	C[6]	N	4:2:3:3:	4:4:1:	4:3:1:	C[5,6]-4:O[5]-2:C[6]-3:N-3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[6a]-3:H-1:	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]O)(NC[6a]H)	C[6](C[5,6]C[5,6]O[5]N)(C[6]C[6]HH)(O)	N(C[5,6]C[5,6]C[6]O[5])(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]O)(NC[6a]H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]N)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,3|H<1>}	N(C[5,6]C[5,6]C[6]O[5])(C[6a]C[6a]2)(H)	106.1360	0.000	1	106.1360	0.000	1	106.1360	0.000	1	106.1360	0.000	1	109.7112	3.590	11	109.7112	3.590	11
474	762	956	0:SP3_SP2_SP2	C[5,6]	C[6]	N	4:4:3:3:	4:2:1:	4:3:1:	C[5,5,6,6]-4:C[5]-4:C[6]-3:N-3:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C-3:H-1:	C[5,6](C[5,5,6,6]C[5,5,6]C[6,6]N[5])(C[5]C[5]HH)(C[6]O[6]O)(NCH)	C[6](C[5,6]C[5,5,6,6]C[5]N)(O[6]C[6,6])(O)	N(C[5,6]C[5,5,6,6]C[5]C[6])(COO)(H)	C[5,6](C[5,5,6,6]C[5,5,6]C[6,6]N[5])(C[5]C[5]HH)(C[6]O[6]O)(NCH){2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6,6]C[5]N)(O[6]C[6,6])(O){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	N(C[5,6]C[5,5,6,6]C[5]C[6])(COO)(H)	109.3520	0.000	1	109.3520	0.000	1	109.3520	0.000	1	108.9805	0.276	2	109.7112	3.590	11	109.7112	3.590	11
474	762	956	0:SP3_SP2_SP2	C[5,6]	C[6]	N	4:4:3:3:	4:2:1:	4:3:1:	C[5,6]-4:C[5]-4:C[6]-3:N-3:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C-3:H-1:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]O)(NCH)	C[6](C[5,6]C[5,6]C[5]N)(O[6]C[6,6a])(O)	N(C[5,6]C[5,6]C[5]C[6])(CC[6a]O)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]O)(NCH){1|H<1>,6|C<3>}	C[6](C[5,6]C[5,6]C[5]N)(O[6]C[6,6a])(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N(C[5,6]C[5,6]C[5]C[6])(CC[6a]O)(H)	108.6090	0.000	1	108.6090	0.000	1	108.6090	0.000	1	108.9805	0.276	2	109.7112	3.590	11	109.7112	3.590	11
474	762	956	0:SP3_SP2_SP2	C[5,6]	C[6]	N	4:4:3:3:	4:3:1:	4:3:1:	C[5,5,6]-4:C[5]-4:C[6]-3:N-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]H)(NCH)	C[6](C[5,6]C[5,5,6]C[5]N)(C[6]C[6]H)(H)	N(C[5,6]C[5,5,6]C[5]C[6])(CCO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]H)(NCH){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]N)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	N(C[5,6]C[5,5,6]C[5]C[6])(CCO)(H)	107.5360	0.000	1	109.3750	6.764	2	109.3750	6.764	2	109.3750	6.764	2	109.7112	3.590	11	109.7112	3.590	11
474	762	956	0:SP3_SP2_SP2	C[5,6]	C[6]	N	4:4:3:3:	4:3:1:	4:3:1:	C[5,5,6]-4:C[5]-4:C[6]-3:N-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]H)(NCH)	C[6](C[5,6]C[5,5,6]C[5]N)(C[6]C[6]H)(H)	N(C[5,6]C[5,5,6]C[5]C[6])(CCO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]H)(NCH){1|C<4>,1|N<2>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5]N)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	N(C[5,6]C[5,5,6]C[5]C[6])(CCO)(H)	111.2140	0.000	1	109.3750	6.764	2	109.3750	6.764	2	109.3750	6.764	2	109.7112	3.590	11	109.7112	3.590	11
474	762	956	0:SP3_SP2_SP2	C[5,6]	C[6]	N	4:4:3:3:	4:3:3:	4:2:1:	C[5,5]-4:C[5,6]-4:C[6]-3:N-3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:O-2:H-1:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(C[6]C[6a]C[6])(NHO)	C[6](C[5,6]C[5,5]C[5,6]N)(C[6a]C[6a]2)(C[6]C[6]S)	N(C[5,6]C[5,5]C[5,6]C[6])(OC)(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(C[6]C[6a]C[6])(NHO){1|S<2>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,5]C[5,6]N)(C[6a]C[6a]2)(C[6]C[6]S){2|C<3>,2|C<4>,2|O<2>,6|H<1>}	N(C[5,6]C[5,5]C[5,6]C[6])(OC)(H)	109.8960	0.000	1	109.8960	0.000	1	109.8960	0.000	1	109.8960	0.000	1	109.7112	3.590	11	109.7112	3.590	11
474	762	959	0:SP3_SP2_SP3	C[5,6]	C[6]	S[5]	4:4:3:1:	4:3:1:	4:4:1:1:	C[5,6]-4:S[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5]-4:O-1:O-1:	C[5,6](C[5,6]C[5]C[6]H)(S[5]C[5]OO)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]H)(O)	S[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(O)2	C[5,6](C[5,6]C[5]C[6]H)(S[5]C[5]OO)(C[6]C[6]O)(H){1|C<3>,7|H<1>}	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]H)(O){1|C<3>,1|H<1>,2|O<1>,3|C<4>}	S[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(O)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	110.1470	0.000	1	110.1470	0.000	1	110.1470	0.000	1	110.1470	0.000	1	110.1470	0.000	1	110.1470	0.000	1
474	762	960	0:SP3_SP2_SP2	C[5,6,6]	C[6,6]	N[5]	4:3:2:2:	4:4:1:	4:3:	C[5,3x6]-4:C[6,6]-3:N[5]-2:O-2:	C[5,6,6]-4:C[3x6]-4:O-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(N[5]C[5])(OC)	C[6,6](C[5,6,6]C[5,3x6]N[5]O)(C[3x6]C[6,6]2H)(O)	N[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5]C[5,6,6]C[6a])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(N[5]C[5])(OC){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,3x6]N[5]O)(C[3x6]C[6,6]2H)(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5]C[5,6,6]C[6a]){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	105.6612	0.268	4	105.6612	0.072	4	105.6612	0.072	4	105.6612	0.072	4	105.6612	0.072	4	107.9142	3.618	43
474	762	960	0:SP3_SP2_SP2	C[5,6]	C[6]	N[5]	3:3:3:2:	4:3:1:	4:3:	C[5,6a]-3:C[6,6a]-3:C[6]-3:N[5]-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(N[5]C[5])	C[6](C[5,6]C[5,6a]C[6,6a]N[5])(C[6]C[6]H)(H)	N[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(N[5]C[5]){1|C<4>,2|H<1>,6|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]N[5])(C[6]C[6]H)(H){1|O<1>,5|C<3>}	N[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a]){1|H<1>,7|C<3>}	107.2170	0.000	2	107.2170	0.000	2	106.4485	0.787	4	108.5820	3.118	25	108.1388	3.593	37	107.9142	3.618	43
474	762	960	0:SP3_SP2_SP2	C[5,6]	C[6]	N[5]	3:3:3:2:	4:3:1:	4:3:	C[5,6a]-3:C[6,6a]-3:C[6]-3:N[5]-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(N[5]C[5])	C[6](C[5,6]C[5,6a]C[6,6a]N[5])(C[6]C[6]H)(H)	N[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a])	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(N[5]C[5]){2|H<1>,7|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]N[5])(C[6]C[6]H)(H){1|O<1>,5|C<3>}	N[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a]){1|H<1>,7|C<3>}	105.6800	0.000	2	105.6800	0.000	2	106.4485	0.787	4	108.5820	3.118	25	108.1388	3.593	37	107.9142	3.618	43
474	762	960	0:SP3_SP2_SP2	C[5,6]	C[6]	N[5]	3:3:3:2:	4:3:1:	4:3:	C[5]-3:C[6]-3:C[6]-3:N[5]-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(N[5]C[5])	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]C)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(N[5]C[5]){1|C<4>,1|I<1>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]C){1|I<1>,2|H<1>,3|C<3>}	106.4345	3.586	2	106.4345	12.858	2	109.1264	10.268	5	108.5820	3.118	25	108.1388	3.593	37	107.9142	3.618	43
474	762	960	0:SP3_SP2_SP2	C[5,6]	C[6]	N[5]	3:3:3:2:	4:3:1:	4:3:	C[5]-3:C[6]-3:C[6]-3:N[5]-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5]N[5]O)(C[6]C[6]C)(C[6]C[6]H)(N[5]C[5])	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	N[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5])	C[5,6](C[5]N[5]O)(C[6]C[6]C)(C[6]C[6]H)(N[5]C[5]){2|H<1>,3|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	N[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	110.6570	0.000	1	110.6570	0.000	1	109.1264	10.268	5	108.5820	3.118	25	108.1388	3.593	37	107.9142	3.618	43
474	762	960	0:SP3_SP2_SP2	C[5,6]	C[6]	N[5]	3:3:3:2:	4:3:1:	4:3:	C[5]-3:C[6]-3:C[6]-3:N[5]-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5]N[5]O)(C[6]C[6]H)2(N[5]C[5])	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	N[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5])	C[5,6](C[5]N[5]O)(C[6]C[6]H)2(N[5]C[5]){2|H<1>,3|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	N[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5]){1|O<1>,2|H<1>,5|C<3>}	111.0530	1.988	2	111.0530	3.954	2	109.1264	10.268	5	108.5820	3.118	25	108.1388	3.593	37	107.9142	3.618	43
474	762	960	0:SP3_SP2_SP2	C[5,6]	C[6]	N[5]	3:3:3:2:	4:3:1:	4:3:	C[6]-3:C[6]-3:N[5]-3:N[5]-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6]H)2(N[5]C[5]C)(N[5]C[5])	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]C)(H)	N[5](C[5,6]C[6]2N[5])(C[5]C[6a]C[5])	C[5,6](C[6]C[6]H)2(N[5]C[5]C)(N[5]C[5]){1|O<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[5](C[5,6]C[6]2N[5])(C[5]C[6a]C[5]){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	108.8005	0.504	2	108.8005	0.254	2	108.9453	0.640	16	108.5820	3.118	25	108.1388	3.593	37	107.9142	3.618	43
474	762	960	0:SP3_SP2_SP2	C[5,6]	C[6]	N[5]	3:3:3:2:	4:3:1:	4:3:	C[6]-3:C[6]-3:N[5]-3:N[5]-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6]H)2(N[5]C[5]C)(N[5]C[5])	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]H)(H)	N[5](C[5,6]C[6]2N[5])(C[5]C[6a]C[5])	C[5,6](C[6]C[6]H)2(N[5]C[5]C)(N[5]C[5]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	N[5](C[5,6]C[6]2N[5])(C[5]C[6a]C[5]){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	109.5130	0.389	8	108.9659	0.715	14	108.9453	0.640	16	108.5820	3.118	25	108.1388	3.593	37	107.9142	3.618	43
474	762	960	0:SP3_SP2_SP2	C[5,6]	C[6]	N[5]	3:3:3:2:	4:3:1:	4:3:	C[6]-3:C[6]-3:N[5]-3:N[5]-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6]H)2(N[5]C[5]C)(N[5]C[5])	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]H)(H)	N[5](C[5,6]C[6]2N[5])(C[5]C[6a]C[5])	C[5,6](C[6]C[6]H)2(N[5]C[5]C)(N[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[5](C[5,6]C[6]2N[5])(C[5]C[6a]C[5]){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	108.2365	0.728	6	108.9659	0.715	14	108.9453	0.640	16	108.5820	3.118	25	108.1388	3.593	37	107.9142	3.618	43
474	762	960	0:SP3_SP2_SP2	C[5,6]	C[6]	N[5]	3:3:3:2:	4:3:4:	4:3:	C[5]-3:C[6]-3:C[6]-3:N[5]-2:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5]N[5]O)(C[6]C[6]C)(C[6]C[6]H)(N[5]C[5])	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(CH3)	N[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5])	C[5,6](C[5]N[5]O)(C[6]C[6]C)(C[6]C[6]H)(N[5]C[5]){2|H<1>,3|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	N[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	110.4000	0.000	1	110.4000	0.000	1	110.4000	0.000	1	110.4000	0.000	1	108.1388	3.593	37	107.9142	3.618	43
474	762	960	0:SP3_SP2_SP2	C[5,6]	C[6]	N[5]	3:4:3:2:	4:3:1:	4:3:	N[5]-3:C[6]-4:C[6]-3:N[5]-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:	C[5,6](N[5]C[6a]C[5])(C[6]C[6]BrH)(C[6]C[6]H)(N[5]C[5])	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]H)(H)	N[5](C[5,6]C[6]2N[5])(C[5]C[5]H)	C[5,6](N[5]C[6a]C[5])(C[6]C[6]BrH)(C[6]C[6]H)(N[5]C[5]){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]H)(H){2|Br<1>,1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6]C[6]2N[5])(C[5]C[5]H){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	107.0435	0.313	2	107.0435	0.098	2	107.0435	0.098	2	107.0435	0.098	2	108.1388	3.593	37	107.9142	3.618	43
474	762	960	0:SP3_SP2_SP2	C[5,6]	C[6]	N[5]	4:3:2:1:	4:2:1:	4:2:	C[5,6]-4:C[6]-3:N[5]-2:H-1:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:N[5]-2:	C[5,6](C[5,6]C[6,6]N[5]H)(C[6]O[6]O)(N[5]N[5])(H)	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6,6])(O)	N[5](C[5,6]C[5,6]C[6]H)(N[5]N[5])	C[5,6](C[5,6]C[6,6]N[5]H)(C[6]O[6]O)(N[5]N[5])(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6,6])(O){1|N<2>,1|N<3>,2|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(N[5]N[5]){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	106.9920	0.000	1	106.9920	0.000	1	106.9920	0.000	1	106.9920	0.000	1	108.1388	3.593	37	107.9142	3.618	43
474	762	960	0:SP3_SP2_SP2	C[5,6]	C[6]	N[5]	4:3:2:1:	4:3:1:	4:2:	C[5,6,6]-4:C[6]-3:N[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:N[5]-2:	C[5,6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]H)(N[5]N[5])(H)	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[5,6]H)(H)	N[5](C[5,6]C[5,6,6]C[6]H)(N[5]N[5,6])	C[5,6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]H)(N[5]N[5])(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[5,6]H)(H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<4>}	N[5](C[5,6]C[5,6,6]C[6]H)(N[5]N[5,6]){1|C<3>,1|H<1>,3|C<4>}	106.6280	0.000	1	106.6280	0.000	1	106.6280	0.000	1	106.6280	0.000	1	108.1388	3.593	37	107.9142	3.618	43
474	762	960	0:SP3_SP2_SP2	C[5,6]	C[6]	N[5]	4:3:2:2:	4:3:1:	4:3:	C[5,6]-4:C[6]-3:N[5]-2:O-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]H)(N[5]C[5])(OH)	C[6](C[5,6]C[5,6]N[5]O)(C[6]C[6]C)(H)	N[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]C)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]H)(N[5]C[5])(OH){1|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]N[5]O)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]C){1|C<4>,1|H<1>,2|C<3>}	110.6230	0.000	1	110.6230	0.000	1	110.6230	0.000	1	110.6230	0.000	1	108.1388	3.593	37	107.9142	3.618	43
474	762	960	0:SP3_SP2_SP2	C[5,6]	C[6]	N[5]	4:3:3:2:	4:2:1:	4:3:	C[5]-4:C[6]-3:C[6]-3:N[5]-2:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5]C[5]HH)(C[6]O[6]O)2(N[5]C[5])	C[6](C[5,6]C[5]C[6]N[5])(O[6]C[6])(O)	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]C)	C[5,6](C[5]C[5]HH)(C[6]O[6]O)2(N[5]C[5]){2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(O[6]C[6])(O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]C){2|O<1>,2|O<2>,4|H<1>}	106.3250	1.778	4	106.3250	3.160	4	106.3250	3.160	4	106.3250	3.160	4	108.1388	3.593	37	107.9142	3.618	43
474	762	960	0:SP3_SP2_SP2	C[5,6]	C[6]	N[5]	4:3:3:2:	4:3:1:	4:3:	C[5]-4:C[6]-3:C[6]-3:N[5]-2:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5]C[6a]N[5]H)(C[6]N[6]O)2(N[5]C[5])	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]C)(O)	N[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5])	C[5,6](C[5]C[6a]N[5]H)(C[6]N[6]O)2(N[5]C[5]){3|C<4>,4|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]C)(O){1|H<1>,2|C<3>,2|N<3>,2|O<1>}	N[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5]){1|C<4>,1|H<1>,2|N<3>,2|O<1>,3|C<3>}	106.2775	1.627	2	106.2775	2.647	2	106.2775	2.647	2	106.2775	2.647	2	108.1388	3.593	37	107.9142	3.618	43
474	762	960	0:SP3_SP2_SP2	C[5]	C[6]	N[5]	3:3:2:2:	4:4:3:	4:3:	N[5a]-3:C[6]-3:N[5]-2:N[5]-2:	C[5]-4:C[6]-4:C[6]-3:	C[5]-4:C[5]-3:	C[5](N[5a]C[5a]2)(C[6]C[6]2)(N[5]C[5])2	C[6](C[5]N[5a]N[5]2)(C[6]C[6]CH)(C[6]C[6]H)	N[5](C[5]N[5a]C[6]N[5])(C[5]C[6a]C[5])	C[5](N[5a]C[5a]2)(C[6]C[6]2)(N[5]C[5])2{1|C<4>,1|N<2>,2|H<1>,7|C<3>}	C[6](C[5]N[5a]N[5]2)(C[6]C[6]CH)(C[6]C[6]H){1|C<4>,1|H<1>,5|C<3>}	N[5](C[5]N[5a]C[6]N[5])(C[5]C[6a]C[5]){1|C<4>,6|C<3>}	108.2650	0.020	2	108.2650	0.000	2	108.2650	0.000	2	108.2650	0.000	2	108.2650	0.000	2	107.9142	3.618	43
474	762	975	6:SP3_SP2_SP3	C[5,6]	C[6]	Se[6]	3:2:2:3:	4:3:1:	4:3:	N[5]-3:Se[5]-2:Se[6]-2:C[6]-3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[6,6a]-3:	C[5,6](N[5]C[5,6a]C)(Se[5]C[5,6a])(Se[6]C[6,6a])(C[6]N[6]O)	C[6](C[5,6]Se[5]Se[6]N[5])(N[6]C[6,6a]C)(O)	Se[6](C[5,6]Se[5]C[6]N[5])(C[6,6a]C[6,6a]C[6a])	C[5,6](N[5]C[5,6a]C)(Se[5]C[5,6a])(Se[6]C[6,6a])(C[6]N[6]O){1|C<4>,4|C<3>}	C[6](C[5,6]Se[5]Se[6]N[5])(N[6]C[6,6a]C)(O){1|C<4>,4|C<3>}	Se[6](C[5,6]Se[5]C[6]N[5])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	108.2630	0.000	1	108.2630	0.000	1	108.2630	0.000	1	108.2630	0.000	1	108.2630	0.000	1	108.2630	0.000	1
474	762	976	0:SP3_SP2_SP2	C[5,5,6]	C[6,6]	O[5]	4:4:3:2:	4:4:3:	4:3:	C[3x5,6]-4:C[5,6]-4:C[6,6]-3:O[5]-2:	C[5,5,6]-4:C[6,6]-4:C[6]-3:	C[5,5,6]-4:C[5]-3:	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5,6]C[5,5,6]C[6]H)(C[6,6]C[6,6]C[6])(O[5]C[5])	C[6,6](C[5,5,6]C[3x5,6]C[5,6]O[5])(C[6,6]C[6]2C)(C[6]C[6]H)	O[5](C[5,5,6]C[3x5,6]C[5,6]C[6,6])(C[5]C[5,5,6]O)	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5,6]C[5,5,6]C[6]H)(C[6,6]C[6,6]C[6])(O[5]C[5]){1|C<3>,1|O<1>,2|O<2>,3|H<1>,7|C<4>}	C[6,6](C[5,5,6]C[3x5,6]C[5,6]O[5])(C[6,6]C[6]2C)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<3>,4|C<4>,5|H<1>}	O[5](C[5,5,6]C[3x5,6]C[5,6]C[6,6])(C[5]C[5,5,6]O){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	101.1110	0.000	1	101.1110	0.000	1	101.1110	0.000	1	101.1110	0.000	1	101.1110	0.000	1	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,5,6]	C[6]	O[5]	4:3:2:3:	4:3:1:	4:3:	C[5,5,6]-4:C[5,6,6a]-3:O[5]-2:C[6]-3:	C[5,5,6]-4:C[6]-3:O-1:	C[5,5,6]-4:C[5,6a]-3:	C[5,5,6](C[5,5,6]C[5,6,6a]C[6]O[5])(C[5,6,6a]C[5,6a]C[6,6a])(O[5]C[5,6a])(C[6]C[6]O)	C[6](C[5,5,6]C[5,6,6a]C[5,5,6]O[5])(C[6]C[6]H)(O)	O[5](C[5,5,6]C[5,6,6a]C[5,5,6]C[6])(C[5,6a]C[5,6,6a]C[6a])	C[5,5,6](C[5,5,6]C[5,6,6a]C[6]O[5])(C[5,6,6a]C[5,6a]C[6,6a])(O[5]C[5,6a])(C[6]C[6]O){1|H<1>,1|O<1>,6|C<3>}	C[6](C[5,5,6]C[5,6,6a]C[5,5,6]O[5])(C[6]C[6]H)(O){1|H<1>,1|O<2>,5|C<3>}	O[5](C[5,5,6]C[5,6,6a]C[5,5,6]C[6])(C[5,6a]C[5,6,6a]C[6a]){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	102.3575	0.080	2	102.3575	0.006	2	102.3575	0.006	2	102.3575	0.006	2	106.2473	6.252	8	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,5,6]	C[6]	O[5]	4:4:2:3:	4:3:4:	4:3:	C[5,6,6]-4:C[5,5]-4:O[5]-2:C[6]-3:	C[5,5,6]-4:C[6]-3:C-4:	C[5,5,6]-4:C[5,6a]-3:	C[5,5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,5]C[5,6a]O[5]H)(O[5]C[5,6a])(C[6]C[6]C)	C[6](C[5,5,6]C[5,6,6]C[5,5]O[5])(C[6]C[5,6]H)(CH3)	O[5](C[5,5,6]C[5,6,6]C[5,5]C[6])(C[5,6a]C[5,6a]C[6a])	C[5,5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,5]C[5,6a]O[5]H)(O[5]C[5,6a])(C[6]C[6]C){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[5,5,6]C[5,6,6]C[5,5]O[5])(C[6]C[5,6]H)(CH3){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	O[5](C[5,5,6]C[5,6,6]C[5,5]C[6])(C[5,6a]C[5,6a]C[6a]){1|H<1>,1|O<2>,3|C<3>,5|C<4>}	108.8040	0.000	1	108.8040	0.000	1	108.8040	0.000	1	108.8040	0.000	1	106.2473	6.252	8	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,5,6]	C[6]	O[5]	4:4:3:2:	4:3:1:	4:3:	C[5,5,6]-4:C[5,6]-4:C[6]-3:O[5]-2:	C[5,5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5]-3:	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,5,6]C[6]H)(C[6]C[6]H)(O[5]C[5])	C[6](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[6]C[6]H)(H)	O[5](C[5,5,6]C[5,5,6]C[5,6]C[6])(C[5]C[5,6]O)	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,5,6]C[6]H)(C[6]C[6]H)(O[5]C[5]){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	C[6](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	O[5](C[5,5,6]C[5,5,6]C[5,6]C[6])(C[5]C[5,6]O){1|C<3>,3|H<1>,5|C<4>}	107.0570	0.117	2	106.8800	0.101	3	106.8800	0.101	3	107.2918	0.376	5	106.2473	6.252	8	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,5,6]	C[6]	O[5]	4:4:3:2:	4:3:1:	4:3:	C[5,5,6]-4:C[5,6]-4:C[6]-3:O[5]-2:	C[5,5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5]-3:	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,5,6]C[6]H)(C[6]C[6]H)(O[5]C[5])	C[6](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[6]C[6]H)(H)	O[5](C[5,5,6]C[5,5,6]C[5,6]C[6])(C[5]C[5,6]O)	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,5,6]C[6]H)(C[6]C[6]H)(O[5]C[5]){1|O<1>,1|S<4>,4|H<1>,5|C<4>}	C[6](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	O[5](C[5,5,6]C[5,5,6]C[5,6]C[6])(C[5]C[5,6]O){1|C<3>,3|H<1>,5|C<4>}	106.5260	0.000	1	106.8800	0.101	3	106.8800	0.101	3	107.2918	0.376	5	106.2473	6.252	8	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,5,6]	C[6]	O[5]	4:4:3:2:	4:3:1:	4:3:	C[5,5]-4:C[5,6]-4:C[6]-3:O[5]-2:	C[5,5,6]-4:C[6,6a]-3:O-1:	C[5,5,6]-4:C[5]-3:	C[5,5,6](C[5,5]C[5]O[5]O)(C[5,6]C[5]C[6]O)(C[6]C[6,6a]O)(O[5]C[5])	C[6](C[5,5,6]C[5,5]C[5,6]O[5])(C[6,6a]C[6,6a]C[6a])(O)	O[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)	C[5,5,6](C[5,5]C[5]O[5]O)(C[5,6]C[5]C[6]O)(C[6]C[6,6a]O)(O[5]C[5]){2|C<3>,2|O<1>,4|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]O[5])(C[6,6a]C[6,6a]C[6a])(O){2|C<4>,4|C<3>,4|O<2>}	O[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>,3|O<2>}	108.0290	0.000	1	108.0290	0.000	1	108.0290	0.000	1	107.2918	0.376	5	106.2473	6.252	8	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,5,6]	C[6]	O[5]	4:4:3:2:	4:3:1:	4:3:	C[5,6]-4:C[3x5]-4:C[6]-3:O[5]-2:	C[5,5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5]-3:	C[5,5,6](C[5,6]C[6]O[5]H)(C[3x5]C[5,5]2O)(C[6]C[6]H)(O[5]C[5])	C[6](C[5,5,6]C[3x5]C[5,6]O[5])(C[6]C[5,6]C)(H)	O[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5]C[5,5]O)	C[5,5,6](C[5,6]C[6]O[5]H)(C[3x5]C[5,5]2O)(C[6]C[6]H)(O[5]C[5]){1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[6](C[5,5,6]C[3x5]C[5,6]O[5])(C[6]C[5,6]C)(H){1|C<3>,1|H<1>,2|O<2>,5|C<4>}	O[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5]C[5,5]O){1|C<3>,2|H<1>,3|C<4>,3|O<2>}	107.7900	0.000	1	107.7900	0.000	1	107.7900	0.000	1	107.2918	0.376	5	106.2473	6.252	8	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,5]	C[6]	O[5]	4:4:2:3:	4:3:3:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:C[6]-3:	C[5,5]-4:N[6]-3:N[6]-3:	C[5,5]-4:C[5,6]-3:	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5]C[5,6a]HO)(O[5]C[5,6])(C[6]N[6]2)	C[6](C[5,5]C[5,5]C[5]O[5])(N[6]C[6]H)2	O[5](C[5,5]C[5,5]C[5]C[6])(C[5,6]C[5,6]C[6])	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5]C[5,6a]HO)(O[5]C[5,6])(C[6]N[6]2){2|H<1>,3|C<3>,3|C<4>}	C[6](C[5,5]C[5,5]C[5]O[5])(N[6]C[6]H)2{1|C<4>,1|O<2>,4|C<3>,6|H<1>}	O[5](C[5,5]C[5,5]C[5]C[6])(C[5,6]C[5,6]C[6]){1|C<4>,1|O<2>,2|N<3>,3|C<3>,4|H<1>}	107.8170	0.000	1	107.8170	0.000	1	107.8170	0.000	1	107.8170	0.000	1	107.8170	0.000	1	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6,6]	C[6,6]	O[5]	3:4:3:2:	4:3:3:	4:3:	C[6,6]-3:C[6,6]-4:C[5,6]-3:O[5]-2:	C[5,6,6]-4:C[5,6,6]-3:C[6]-3:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])(O[5]C[5])	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[5,6,6]C[5,6]2)(C[6]C[6]C)	O[5](C[5,6,6]C[5,6]C[6,6]2)(C[5]C[5]O)	C[5,6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])(O[5]C[5]){1|O<1>,1|O<2>,2|C<3>,3|H<1>,6|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[5,6,6]C[5,6]2)(C[6]C[6]C){1|H<1>,1|O<1>,1|O<2>,2|C<3>,7|C<4>}	O[5](C[5,6,6]C[5,6]C[6,6]2)(C[5]C[5]O){1|H<1>,2|C<3>,4|C<4>}	107.0710	0.000	1	107.0710	0.000	1	107.0710	0.000	1	107.0710	0.000	1	107.2990	1.953	9	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6,6]	C[6,6]	O[5]	4:3:2:1:	4:4:1:	4:3:	C[5,3x6]-4:C[6,6]-3:O[5]-2:H-1:	C[5,6,6]-4:C[3x6]-4:O-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]O)(O[5]C[5])(H)	C[6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(O)	O[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,6,6]O)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]O)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(O){2|C<3>,2|H<1>,3|C<4>}	O[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,6,6]O){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	106.0540	0.000	1	106.0540	0.000	1	106.5340	0.461	2	106.5340	0.461	2	107.2990	1.953	9	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6,6]	C[6,6]	O[5]	4:3:2:1:	4:4:1:	4:3:	C[5,3x6]-4:C[6,6]-3:O[5]-2:H-1:	C[5,6,6]-4:C[3x6]-4:O-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(O[5]C[5])(H)	C[6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2C)(O)	O[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,6,6]O)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2C)(O){2|C<3>,2|C<4>,3|H<1>}	O[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,6,6]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	107.0140	0.000	1	107.0140	0.000	1	106.5340	0.461	2	106.5340	0.461	2	107.2990	1.953	9	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6,6]	C[6,6]	O[5]	4:3:2:2:	4:4:1:	4:3:	C[3x6]-4:C[6,6]-3:O[5]-2:O[5]-2:	C[4x6]-4:C[5,6,6]-4:O-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(O[5]C[5])2	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]O[5]2)(O)	O[5](C[5,6,6]C[3x6]C[6,6]O[5])(C[5]C[5]O)	C[5,6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(O[5]C[5])2{1|Br<1>,1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]O[5]2)(O){3|C<3>,4|C<4>,4|H<1>}	O[5](C[5,6,6]C[3x6]C[6,6]O[5])(C[5]C[5]O){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	109.6600	0.000	1	109.6600	0.000	1	109.6600	0.000	1	107.8700	6.408	2	107.2990	1.953	9	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6,6]	C[6,6]	O[5]	4:3:2:2:	4:4:1:	4:3:	C[5,3x6]-4:C[6,6]-3:O[5]-2:O-2:	C[5,6,6]-4:C[3x6]-4:O-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(O[5]C[5])(OC)	C[6,6](C[5,6,6]C[5,3x6]O[5]O)(C[3x6]C[6,6]2H)(O)	O[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5]C[5,6,6]O)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(O[5]C[5])(OC){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[5,6,6]C[5,3x6]O[5]O)(C[3x6]C[6,6]2H)(O){1|C<4>,3|C<3>,3|H<1>}	O[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5]C[5,6,6]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	106.0800	0.000	1	106.0800	0.000	1	106.0800	0.000	1	107.8700	6.408	2	107.2990	1.953	9	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6,6]	C[6,6]	O[5]	4:3:4:2:	4:3:2:	4:3:	C[5,6]-4:C[6,6]-3:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-3:O[6]-2:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,6]C[5]O[6]C)(C[6,6]C[6]O[6])(C[6]C[6]HH)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]H)(O[6]C[6])	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O)	C[5,6,6](C[5,6]C[5]O[6]C)(C[6,6]C[6]O[6])(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]H)(O[6]C[6]){1|C<3>,1|O<1>,1|O<2>,2|H<1>,5|C<4>}	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	107.3320	0.000	1	107.3320	0.000	1	107.3320	0.000	1	107.3320	0.000	1	107.2990	1.953	9	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6,6]	C[6,6]	O[5]	4:3:4:2:	4:4:1:	4:3:	C[3x6]-4:C[6,6]-3:C[5]-4:O[5]-2:	C[5,6,6]-4:C[3x6]-4:O-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[5]C[5]HH)(O[5]C[5])	C[6,6](C[5,6,6]C[3x6]C[5]O[5])(C[3x6]C[3x6]C[6,6]C)(O)	O[5](C[5,6,6]C[3x6]C[6,6]C[5])(C[5]C[5]O)	C[5,6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[5]C[5]HH)(O[5]C[5]){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[3x6]C[5]O[5])(C[3x6]C[3x6]C[6,6]C)(O){3|C<3>,3|C<4>,4|H<1>}	O[5](C[5,6,6]C[3x6]C[6,6]C[5])(C[5]C[5]O){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	107.0760	0.000	1	106.4870	0.694	2	106.4870	0.694	2	106.4870	0.694	2	107.2990	1.953	9	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6,6]	C[6,6]	O[5]	4:3:4:2:	4:4:1:	4:3:	C[3x6]-4:C[6,6]-3:C[5]-4:O[5]-2:	C[5,6,6]-4:C[3x6]-4:O-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[5]C[5]HH)(O[5]C[5])	C[6,6](C[5,6,6]C[3x6]C[5]O[5])(C[3x6]C[3x6]C[6,6]C)(O)	O[5](C[5,6,6]C[3x6]C[6,6]C[5])(C[5]C[5]O)	C[5,6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[5]C[5]HH)(O[5]C[5]){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[3x6]C[5]O[5])(C[3x6]C[3x6]C[6,6]C)(O){2|C<4>,4|C<3>,4|H<1>}	O[5](C[5,6,6]C[3x6]C[6,6]C[5])(C[5]C[5]O){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	105.8980	0.000	1	106.4870	0.694	2	106.4870	0.694	2	106.4870	0.694	2	107.2990	1.953	9	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6,6]	C[6,6]	O[5]	4:3:4:2:	4:4:3:	4:3:	C[5,6]-4:C[6,6]-3:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C[6]-3:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,6]C[5]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]CC)(C[6]C[6]H)	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O)	C[5,6,6](C[5,6]C[5]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]CC)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	109.5060	0.000	1	109.5060	0.000	1	109.5060	0.000	1	109.5060	0.000	1	107.2990	1.953	9	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6,6]	C[6]	O[5]	3:4:3:2:	4:3:1:	4:3:	N[6,6]-3:C[5,6]-4:C[6]-3:O[5]-2:	C[5,6,6]-4:N[5,6]-3:O-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]C[6]H)(C[6]N[5,6]O)(O[5]C[5])	C[6](C[5,6,6]C[5,6]N[6,6]O[5])(N[5,6]C[5,6]C[5])(O)	O[5](C[5,6,6]C[5,6]N[6,6]C[6])(C[5]C[5]H)	C[5,6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]C[6]H)(C[6]N[5,6]O)(O[5]C[5]){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,6]N[6,6]O[5])(N[5,6]C[5,6]C[5])(O){1|O<2>,2|C<4>,3|H<1>,5|C<3>}	O[5](C[5,6,6]C[5,6]N[6,6]C[6])(C[5]C[5]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	105.7770	0.000	1	105.7770	0.000	1	105.7770	0.000	1	105.7770	0.000	1	106.5888	4.318	16	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6,6]	C[6]	O[5]	4:3:2:2:	4:3:1:	4:3:	C[5,6,6]-4:C[6]-3:O[5]-2:O[6]-2:	C[5,6,6]-4:C[6,6a]-3:O-1:	C[5,6,6]-4:C[5,6a]-3:	C[5,6,6](C[5,6,6]C[5,6a]C[6]O[6])(C[6]C[6,6a]O)(O[5]C[5,6a])(O[6]C[6])	C[6](C[5,6,6]C[5,6,6]O[5]O[6])(C[6,6a]C[6,6a]C[6a])(O)	O[5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5,6a]C[5,6a]C[6a])	C[5,6,6](C[5,6,6]C[5,6a]C[6]O[6])(C[6]C[6,6a]O)(O[5]C[5,6a])(O[6]C[6]){1|C<4>,2|H<1>,5|C<3>}	C[6](C[5,6,6]C[5,6,6]O[5]O[6])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	O[5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5,6a]C[5,6a]C[6a]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	106.6780	0.000	1	106.6780	0.000	1	106.6780	0.000	1	106.6780	0.000	1	106.5888	4.318	16	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6,6]	C[6]	O[5]	4:3:3:2:	4:3:1:	4:3:	C[5,6,6]-4:C[6]-3:C[6]-3:O[5]-2:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,6,6]C[3,6]2O[5])(C[6]C[6]H)2(O[5]C[5])	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[3,6]H)(H)	O[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]O[5]O)	C[5,6,6](C[5,6,6]C[3,6]2O[5])(C[6]C[6]H)2(O[5]C[5]){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[3,6]H)(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	O[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]O[5]O){2|C<3>,2|C<4>,2|H<1>}	107.1955	1.568	2	107.1955	2.458	2	107.2463	0.855	4	106.6854	2.214	5	106.5888	4.318	16	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6,6]	C[6]	O[5]	4:3:3:2:	4:3:1:	4:3:	C[5,6,6]-4:C[6]-3:C[6]-3:O[5]-2:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,6,6]C[6]2O[5])(C[6]C[6]H)2(O[5]C[5])	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]H)(H)	O[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]O[5]O)	C[5,6,6](C[5,6,6]C[6]2O[5])(C[6]C[6]H)2(O[5]C[5]){1|O<1>,2|C<3>,4|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]H)(H){1|O<2>,2|H<1>,4|C<3>}	O[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]O[5]O){2|H<1>,4|C<3>}	107.2970	0.310	2	107.2970	0.096	2	107.2463	0.855	4	106.6854	2.214	5	106.5888	4.318	16	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6,6]	C[6]	O[5]	4:3:3:2:	4:3:1:	4:3:	C[5,6]-4:N[6,6]-3:C[6]-3:O[5]-2:	C[5,6,6]-4:N[5,6]-3:O-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6a]C[6])(C[6]N[5,6]O)(O[5]C[5])	C[6](C[5,6,6]C[5,6]N[6,6]O[5])(N[5,6]C[5,6]C[5])(O)	O[5](C[5,6,6]C[5,6]N[6,6]C[6])(C[5]C[5]H)	C[5,6,6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6a]C[6])(C[6]N[5,6]O)(O[5]C[5]){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6,6]C[5,6]N[6,6]O[5])(N[5,6]C[5,6]C[5])(O){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	O[5](C[5,6,6]C[5,6]N[6,6]C[6])(C[5]C[5]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	104.4420	0.000	1	104.4420	0.000	1	104.4420	0.000	1	106.6854	2.214	5	106.5888	4.318	16	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6,6]	C[6]	O[5]	4:4:2:3:	4:3:1:	4:3:	C[5,6]-4:C[6,6]-4:O[5]-2:C[6]-3:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:	C[5,6,6](C[5,6]C[5,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(O[5]C[5,6a])(C[6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]C)(H)	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[5,6a]C[6a])	C[5,6,6](C[5,6]C[5,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(O[5]C[5,6a])(C[6]C[6]H){2|C<3>,4|H<1>,5|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[5,6a]C[6a]){3|C<4>,3|H<1>,4|C<3>}	105.6060	0.000	1	105.6060	0.000	1	105.6060	0.000	1	105.6060	0.000	1	106.5888	4.318	16	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6,6]	C[6]	O[5]	4:4:3:2:	4:3:1:	4:3:	C[5,6,6]-4:C[6,6]-4:C[6]-3:O[5]-2:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O[5]C[5])	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6,6]H)(H)	O[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(C[5]C[5,6,6]O)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O[5]C[5]){1|O<1>,4|H<1>,7|C<4>}	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6,6]H)(H){1|C<3>,2|H<1>,6|C<4>}	O[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(C[5]C[5,6,6]O){1|C<3>,2|H<1>,6|C<4>}	105.8900	0.000	1	106.7945	1.636	2	106.7945	1.636	2	106.4811	8.374	7	106.5888	4.318	16	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6,6]	C[6]	O[5]	4:4:3:2:	4:3:1:	4:3:	C[5,6,6]-4:C[6,6]-4:C[6]-3:O[5]-2:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O[5]C[5])	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6,6]H)(H)	O[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(C[5]C[5,6,6]O)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O[5]C[5]){1|O<1>,5|H<1>,6|C<4>}	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6,6]H)(H){1|C<3>,2|H<1>,6|C<4>}	O[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(C[5]C[5,6,6]O){1|C<3>,2|H<1>,6|C<4>}	107.6990	0.000	1	106.7945	1.636	2	106.7945	1.636	2	106.4811	8.374	7	106.5888	4.318	16	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6,6]	C[6]	O[5]	4:4:3:2:	4:3:1:	4:3:	C[5,6,6]-4:C[6,6]-4:C[6]-3:O[5]-2:	C[5,6,6]-4:C[6]-3:O-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(O[5]C[5])	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6,6]H)(O)	O[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(C[5]C[5,6,6]O)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(O[5]C[5]){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6,6]H)(O){1|C<3>,1|H<1>,6|C<4>}	O[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(C[5]C[5,6,6]O){1|C<3>,1|H<1>,1|O<1>,6|C<4>}	103.9740	0.000	1	103.9740	0.000	1	103.9740	0.000	1	106.4811	8.374	7	106.5888	4.318	16	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6,6]	C[6]	O[5]	4:4:3:2:	4:3:1:	4:3:	C[5,6,6]-4:C[6]-4:C[6]-3:O[5]-2:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(O[5]C[5])	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]C)(H)	O[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5,6,6]O)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(O[5]C[5]){1|O<1>,4|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]C)(H){1|C<3>,3|C<4>,5|H<1>}	O[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5,6,6]O){1|C<3>,4|C<4>,4|H<1>}	108.8370	0.000	1	108.8370	0.000	1	108.8047	0.009	3	106.4811	8.374	7	106.5888	4.318	16	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6,6]	C[6]	O[5]	4:4:3:2:	4:3:1:	4:3:	C[5,6,6]-4:C[6]-4:C[6]-3:O[5]-2:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[6]C[6]HO)(C[6]C[6]H)(O[5]C[5])	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]C)(H)	O[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5,6,6]O)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[6]C[6]HO)(C[6]C[6]H)(O[5]C[5]){1|O<1>,4|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]C)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	O[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5,6,6]O){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	108.6970	0.000	1	108.6970	0.000	1	108.8047	0.009	3	106.4811	8.374	7	106.5888	4.318	16	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6,6]	C[6]	O[5]	4:4:3:2:	4:3:1:	4:3:	C[5,6,6]-4:C[6]-4:C[6]-3:O[5]-2:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]H)(O[5]C[5])	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]H)(H)	O[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5,6]O)	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]H)(O[5]C[5]){1|O<1>,3|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	O[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5,6]O){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	108.8800	0.000	1	108.8800	0.000	1	108.8047	0.009	3	106.4811	8.374	7	106.5888	4.318	16	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6,6]	C[6]	O[5]	4:4:3:2:	4:3:1:	4:3:	C[6,6]-4:C[5,6]-4:C[6]-3:O[5]-2:	C[5,6,6]-4:C[6]-3:O-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[6]C[6]O)(O[5]C[5])	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6,6]H)(O)	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O)	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[6]C[6]O)(O[5]C[5]){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6,6]H)(O){1|C<3>,7|C<4>}	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	101.3910	0.000	1	101.3910	0.000	1	101.3910	0.000	1	106.4811	8.374	7	106.5888	4.318	16	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6,6]	C[6]	O[5]	4:4:3:2:	4:3:4:	4:3:	C[5,6,6]-4:C[6]-4:C[6]-3:O[5]-2:	C[5,6,6]-4:C[6]-3:C-4:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,6,6]C[5,6]O[6]O)(C[6]C[6]HH)(C[6]C[6]C)(O[5]C[5])	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]H)(CH3)	O[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5,6]O)	C[5,6,6](C[5,6,6]C[5,6]O[6]O)(C[6]C[6]HH)(C[6]C[6]C)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>}	O[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5,6]O){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	108.5650	0.000	1	108.5650	0.000	1	108.5650	0.000	1	108.5650	0.000	1	106.5888	4.318	16	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6,6]	O[5]	3:4:2:1:	4:4:3:	4:3:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<3>,1|O<1>,3|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C){1|C<3>,1|N<2>,3|C<4>,5|H<1>}	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O){1|C<3>,2|H<1>,3|C<4>}	117.7630	0.000	1	116.2966	11.505	14	115.9282	12.719	15	115.9282	12.719	15	114.8242	17.499	18	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6,6]	O[5]	3:4:2:1:	4:4:3:	4:3:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<3>,1|O<1>,3|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O){1|C<3>,2|H<1>,3|C<4>}	113.0610	5.309	4	116.2966	11.505	14	115.9282	12.719	15	115.9282	12.719	15	114.8242	17.499	18	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6,6]	O[5]	3:4:2:1:	4:4:3:	4:3:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O){1|C<3>,1|H<1>,4|C<4>}	116.8875	0.767	2	116.2966	11.505	14	115.9282	12.719	15	115.9282	12.719	15	114.8242	17.499	18	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6,6]	O[5]	3:4:2:1:	4:4:3:	4:3:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O){1|C<3>,2|H<1>,3|C<4>}	118.1990	0.959	4	116.2966	11.505	14	115.9282	12.719	15	115.9282	12.719	15	114.8242	17.499	18	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6,6]	O[5]	3:4:2:1:	4:4:3:	4:3:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O){1|C<3>,2|H<1>,3|C<4>}	117.1485	0.165	2	116.2966	11.505	14	115.9282	12.719	15	115.9282	12.719	15	114.8242	17.499	18	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6,6]	O[5]	3:4:2:1:	4:4:3:	4:3:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|Se<2>,1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O){1|Se<2>,1|C<3>,1|H<1>,3|C<4>}	117.2780	0.000	1	116.2966	11.505	14	115.9282	12.719	15	115.9282	12.719	15	114.8242	17.499	18	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6,6]	O[5]	3:4:2:1:	4:4:3:	4:3:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]H)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<2>,1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	110.7700	0.000	1	110.7700	0.000	1	115.9282	12.719	15	115.9282	12.719	15	114.8242	17.499	18	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6,6]	O[5]	3:4:2:4:	4:4:3:	4:3:	C[6,6]-3:C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3)	C[6,6](C[5,6]C[5,6]O[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	O[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]O)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3){1|C<3>,1|O<1>,3|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]O[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){2|C<3>,4|C<4>,4|H<1>}	O[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]O){1|C<3>,1|H<1>,4|C<4>}	106.8090	0.000	1	106.8090	0.000	1	106.8090	0.000	1	106.8090	0.000	1	114.8242	17.499	18	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6,6]	O[5]	4:3:2:1:	4:4:3:	4:3:	C[5,5,6]-4:C[6,6]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[6,6]C[6])(O[5]C[5])(H)	C[6,6](C[5,6]C[5,5,6]O[5]H)(C[6,6]C[6]2H)(C[6]C[6]H)	O[5](C[5,6]C[5,5,6]C[6,6]H)(C[5]C[5,5]O)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[6,6]C[6])(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,5,6]O[5]H)(C[6,6]C[6]2H)(C[6]C[6]H){2|C<3>,4|H<1>,5|C<4>}	O[5](C[5,6]C[5,5,6]C[6,6]H)(C[5]C[5,5]O){1|O<2>,2|C<4>,3|C<3>}	110.1240	0.000	1	110.5515	0.366	2	110.5515	0.366	2	110.5515	0.366	2	114.8242	17.499	18	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6,6]	O[5]	4:3:2:1:	4:4:3:	4:3:	C[5,5,6]-4:C[6,6]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[6,6]C[6])(O[5]C[5])(H)	C[6,6](C[5,6]C[5,5,6]O[5]H)(C[6,6]C[6]2H)(C[6]C[6]H)	O[5](C[5,6]C[5,5,6]C[6,6]H)(C[5]C[5,5]O)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[6,6]C[6])(O[5]C[5])(H){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,5,6]O[5]H)(C[6,6]C[6]2H)(C[6]C[6]H){2|C<3>,4|H<1>,5|C<4>}	O[5](C[5,6]C[5,5,6]C[6,6]H)(C[5]C[5,5]O){1|H<1>,2|C<4>,3|C<3>}	110.9790	0.000	1	110.5515	0.366	2	110.5515	0.366	2	110.5515	0.366	2	114.8242	17.499	18	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	2:2:3:3:	4:3:1:	3:4:	O[5]-2:S[5]-2:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](O[5]C[5,6a])(S[5]C[5,6a])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]C)(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2S[5])	C[5,6](O[5]C[5,6a])(S[5]C[5,6a])(C[6]C[6]H)(C[6]C[6]O){2|C<4>,3|C<3>}	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]C)(H){1|H<1>,1|O<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2S[5]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	107.7055	1.921	2	107.7055	3.691	2	107.7055	3.691	2	107.5130	4.238	4	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	2:2:3:3:	4:3:1:	3:4:	O[5]-2:S[5]-2:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:O-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](O[5]C[5,6a])(S[5]C[5,6a])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]C)(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2S[5])	C[5,6](O[5]C[5,6a])(S[5]C[5,6a])(C[6]C[6]H)(C[6]C[6]O){2|C<4>,3|C<3>}	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2S[5]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	107.3205	2.979	2	107.3205	8.875	2	107.3205	8.875	2	107.5130	4.238	4	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	3:2:3:3:	4:3:1:	3:4:	C[5]-3:O[5]-2:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]O)(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]H)(C[6]C[6]O){1|H<1>,1|O<2>,3|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]O)(H){1|O<2>,2|O<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	109.6210	0.000	1	109.6210	0.000	1	109.6210	0.000	1	106.0953	9.456	3	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	3:2:3:3:	4:3:1:	3:4:	C[5]-3:O[5]-2:C[6]-3:C[6]-3:	C[5,6]-4:N[6]-3:O-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5]C[5,6a]C[6])(O[5]C[5,6a])(C[6]N[6]O)2	C[6](C[5,6]C[5]C[6]O[5])(N[6]C[6]C)(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)	C[5,6](C[5]C[5,6a]C[6])(O[5]C[5,6a])(C[6]N[6]O)2{2|C<4>,5|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(N[6]C[6]C)(O){1|N<3>,2|O<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2){1|H<1>,2|N<3>,2|O<1>,3|C<3>}	104.3325	0.517	2	104.3325	0.267	2	104.3325	0.267	2	106.0953	9.456	3	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	3:2:3:3:	4:3:2:	3:4:	C[5]-3:O[5]-2:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:O-2:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]C)(C[6]C[6]O)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(OC)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]C)(C[6]C[6]O){2|H<1>,3|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(OC){2|O<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2){1|Cl<1>,1|O<1>,1|O<2>,5|C<3>}	108.6770	0.133	2	108.6770	0.018	2	109.0460	0.417	3	109.0460	0.417	3	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	3:2:3:3:	4:3:2:	3:4:	C[5]-3:O[5]-2:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:O-2:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(OC)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]H)(C[6]C[6]O){1|H<1>,1|O<2>,3|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(OC){1|H<1>,2|O<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	109.7840	0.000	1	109.7840	0.000	1	109.0460	0.417	3	109.0460	0.417	3	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	3:2:3:3:	4:3:3:	3:4:	C[5]-3:O[5]-2:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-3:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]C)(C[6]C[6]O)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(COO)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]C)(C[6]C[6]O){2|H<1>,3|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(COO){1|O<2>,2|O<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2){1|Cl<1>,1|O<1>,1|O<2>,5|C<3>}	109.6915	0.713	2	109.6915	0.509	2	109.6915	0.509	2	109.6915	0.509	2	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	3:2:4:3:	4:3:2:	3:4:	C[5]-3:O[5]-2:C[6]-4:C[6]-3:	C[5,6]-4:C[6]-3:O-2:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CH)(C[6]C[6]O)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(OC)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CH)(C[6]C[6]O){3|C<3>,3|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(OC){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2){1|Cl<1>,1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	108.5973	1.368	19	108.5973	1.872	19	108.5973	1.872	19	108.5973	1.872	19	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	3:3:2:2:	4:3:2:	3:4:	C[6]-3:C[6]-3:O[5]-2:O[5]-2:	C[5,6]-4:C[6a]-3:N[6]-2:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[6]C[6a]N[6])2(O[5]C[5,6a])2	C[6](C[5,6]C[6]O[5]2)(C[6a]C[6a]2)(N[6]S[6])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])	C[5,6](C[6]C[6a]N[6])2(O[5]C[5,6a])2{1|S<2>,6|C<3>}	C[6](C[5,6]C[6]O[5]2)(C[6a]C[6a]2)(N[6]S[6]){1|N<2>,2|H<1>,5|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5]){1|H<1>,2|N<2>,4|C<3>}	108.9458	1.981	4	108.9458	3.925	4	108.9458	3.925	4	108.9458	3.925	4	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	3:3:2:4:	4:3:1:	4:3:	C[5,6]-3:C[6]-3:O[5]-2:C-4:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]O)(O[5]C[5])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6,6]H)(O)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]O)(O[5]C[5])(CH3){1|H<1>,1|O<1>,3|C<3>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6,6]H)(O){4|C<3>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O){1|O<1>,3|C<3>}	110.9785	0.175	2	110.9785	0.031	2	110.9785	0.031	2	110.9785	0.031	2	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	3:3:3:2:	4:3:1:	4:3:	C[5,6a]-3:C[6,6a]-3:C[6]-3:O[5]-2:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O[5]C[5])	C[6](C[5,6]C[5,6a]C[6,6a]O[5])(C[6]C[6]H)(O)	O[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O[5]C[5]){1|O<1>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]O[5])(C[6]C[6]H)(O){1|H<1>,5|C<3>}	O[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]O){1|O<1>,5|C<3>}	108.5660	0.000	1	108.5660	0.000	1	108.5660	0.000	1	108.4038	2.493	13	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	3:3:3:2:	4:3:1:	4:3:	C[5,6a]-3:C[6]-3:C[6]-3:O[5]-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)2(O[5]C[5])	C[6](C[5,6]C[5,6a]C[6]O[5])(C[6]C[6]H)(H)	O[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)2(O[5]C[5]){1|O<1>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[6]O[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,4|C<3>}	O[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]O){2|H<1>,4|C<3>}	108.8085	0.861	4	108.8085	0.742	4	108.8085	0.742	4	108.4038	2.493	13	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	3:3:3:2:	4:3:1:	4:3:	C[5]-3:C[6]-3:C[6]-3:O[5]-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(O[5]C[5]){1|O<1>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,4|C<3>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O){2|H<1>,4|C<3>}	107.4967	1.193	6	107.4967	1.423	6	107.4967	1.423	6	108.4038	2.493	13	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	3:3:3:2:	4:3:1:	4:3:	N[5,5,6]-3:C[6]-3:C[6a]-3:O[5]-2:	C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:C[5]-3:	C[5,6](N[5,5,6]C[5,5]N[5,6])(C[6]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])	C[6](C[5,6]N[5,5,6]C[6a]O[5])(C[5,6]C[5,6]C[5])(H)	O[5](C[5,6]N[5,5,6]C[6a]C[6])(C[5]C[5,5]O)	C[5,6](N[5,5,6]C[5,5]N[5,6])(C[6]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5]){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C[6](C[5,6]N[5,5,6]C[6a]O[5])(C[5,6]C[5,6]C[5])(H){1|N<3>,3|C<3>,3|C<4>,3|H<1>}	O[5](C[5,6]N[5,5,6]C[6a]C[6])(C[5]C[5,5]O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	108.2030	0.000	1	108.2030	0.000	1	108.2030	0.000	1	108.4038	2.493	13	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	3:3:3:2:	4:3:1:	4:3:	N[5,6]-3:C[6]-3:C[6a]-3:O[5]-2:	C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:C[5]-3:	C[5,6](N[5,6]C[5]N[6])(C[6]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])	C[6](C[5,6]N[5,6]C[6a]O[5])(C[5,6]C[5,6]C[5])(H)	O[5](C[5,6]N[5,6]C[6a]C[6])(C[5]C[5]O)	C[5,6](N[5,6]C[5]N[6])(C[6]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5]){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]N[5,6]C[6a]O[5])(C[5,6]C[5,6]C[5])(H){1|N<2>,2|C<4>,3|H<1>,4|C<3>}	O[5](C[5,6]N[5,6]C[6a]C[6])(C[5]C[5]O){1|H<1>,1|N<2>,4|C<3>}	112.2660	0.000	1	112.2660	0.000	1	112.2660	0.000	1	108.4038	2.493	13	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	3:3:4:2:	3:4:3:	4:3:	C[5]-3:C[6]-3:C[6]-4:O[5]-2:	C[6,6a]-3:C[5,6]-4:C-3:	C[5,6]-4:C[5]-3:	C[5,6](C[5]C[5]N[6])(C[6]C[6,6a]C)(C[6]C[6]HH)(O[5]C[5])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(CCH)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)	C[5,6](C[5]C[5]N[6])(C[6]C[6,6a]C)(C[6]C[6]HH)(O[5]C[5]){1|C<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(CCH){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O){1|C<2>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	107.3250	0.000	1	107.3250	0.000	1	107.3250	0.000	1	107.3250	0.000	1	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	3:3:4:2:	4:3:1:	4:3:	C[5,6a]-3:C[6]-3:C[6]-4:O[5]-2:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5,6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(O)	O[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]C[5]){1|Br<1>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,3|H<1>,5|C<3>}	O[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	105.5800	0.000	1	105.5800	0.000	1	105.5800	0.000	1	105.5800	0.000	1	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	3:4:2:2:	4:4:1:	4:3:	C[6]-3:C[5]-4:O[5]-2:O[6]-2:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[5,6]O)(C[5]N[5]HH)(O[5]C[5])(O[6]C[6])	C[6](C[5,6]C[5]O[5]O[6])(C[5,6]C[5,6]O[5]H)(O)	O[5](C[5,6]C[5]C[6]O[6])(C[5]N[5]O)	C[5,6](C[6]C[5,6]O)(C[5]N[5]HH)(O[5]C[5])(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5]O[5]O[6])(C[5,6]C[5,6]O[5]H)(O){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	O[5](C[5,6]C[5]C[6]O[6])(C[5]N[5]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	108.9630	0.000	1	108.9630	0.000	1	108.9630	0.000	1	108.9630	0.000	1	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	3:4:2:3:	4:3:1:	4:3:	C[6,6a]-3:C[5]-4:O[5]-2:C[6]-3:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5,6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]O)	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]C)(O)	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]O){1|C<4>,1|H<1>,5|C<3>}	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]C)(O){3|H<1>,4|C<3>}	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a]){1|O<1>,3|H<1>,5|C<3>}	109.0910	0.000	1	109.0910	0.000	1	109.0910	0.000	1	109.0910	0.000	1	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	3:4:3:2:	3:4:1:	4:3:	C[6]-3:C[5]-4:C[6]-3:O[5]-2:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)(C[6]C[6]H)(O[5]C[5])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)(C[6]C[6]H)(O[5]C[5]){1|Br<1>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O){1|C<4>,4|C<3>,4|H<1>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O){1|O<1>,2|C<3>,5|H<1>}	107.3670	0.000	1	107.3670	0.000	1	107.3670	0.000	1	108.0220	0.858	2	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	3:4:3:2:	3:4:1:	4:3:	C[6]-3:C[6]-4:C[5]-3:O[5]-2:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6,6a]O)(C[6]C[6]HH)(C[5]C[5]H)(O[5]C[5])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)	C[5,6](C[6]C[6,6a]O)(C[6]C[6]HH)(C[5]C[5]H)(O[5]C[5]){1|C<4>,2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O){4|H<1>,5|C<3>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	108.6770	0.000	1	108.6770	0.000	1	108.6770	0.000	1	108.0220	0.858	2	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	3:4:3:2:	4:3:1:	4:3:	C[6,6a]-3:C[5]-4:C[6]-3:O[5]-2:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]O)(O[5]C[5])	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]Br)(O)	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]O)(O[5]C[5]){1|Br<1>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]Br)(O){1|C<4>,3|C<3>,3|H<1>}	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]O){1|O<1>,3|C<3>,4|H<1>}	107.2411	1.232	8	107.2411	1.518	8	107.2411	1.518	8	107.0507	1.470	16	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	3:4:3:2:	4:3:1:	4:3:	C[6,6a]-3:C[5]-4:C[6]-3:O[5]-2:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]CC)(C[6]N[6]O)(O[5]C[5])	C[6](C[5,6]C[6,6a]C[5]O[5])(N[6]C[6]C)(O)	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5]N[5]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]CC)(C[6]N[6]O)(O[5]C[5]){1|H<1>,2|C<4>,3|C<3>}	C[6](C[5,6]C[6,6a]C[5]O[5])(N[6]C[6]C)(O){1|C<4>,1|N<2>,1|O<1>,4|C<3>}	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5]N[5]C){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	106.6893	1.238	7	106.6893	1.533	7	106.6893	1.533	7	107.0507	1.470	16	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	3:4:3:2:	4:3:1:	4:3:	C[6]-3:C[5]-4:C[6]-3:O[5]-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)(C[6]C[6]H)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]Br)(H)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)(C[6]C[6]H)(O[5]C[5]){1|Br<1>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]Br)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O){1|O<1>,2|C<3>,5|H<1>}	108.0580	0.000	1	108.0580	0.000	1	108.0580	0.000	1	107.0507	1.470	16	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	3:4:3:2:	4:3:2:	4:3:	C[6,6a]-3:C[5]-4:C[6]-3:O[5]-2:	C[5,6]-4:C[6]-3:O-2:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]O)(O[5]C[5])	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]H)(OC)	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]O)(O[5]C[5]){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]H)(OC){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]O){2|O<2>,3|C<3>,3|H<1>}	107.7870	0.000	1	107.7870	0.000	1	107.7870	0.000	1	107.7870	0.000	1	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	3:4:3:2:	4:4:3:	4:2:	N[5]-3:C[6]-4:C[6]-3:O[5]-2:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:N[5]-2:	C[5,6](N[5]C[6a]C[5])(C[6]C[6]CH)(C[6]C[6]C)(O[5]N[5])	C[6](C[5,6]C[6]N[5]O[5])(C[6]N[6]HH)(CC[6a]H)	O[5](C[5,6]C[6]2N[5])(N[5]C[5])	C[5,6](N[5]C[6a]C[5])(C[6]C[6]CH)(C[6]C[6]C)(O[5]N[5]){1|N<3>,3|C<3>,4|H<1>}	C[6](C[5,6]C[6]N[5]O[5])(C[6]N[6]HH)(CC[6a]H){1|H<1>,1|N<2>,2|C<3>,3|C<4>}	O[5](C[5,6]C[6]2N[5])(N[5]C[5]){1|H<1>,3|C<3>,3|C<4>}	106.2265	0.951	2	106.2265	0.905	2	106.2265	0.905	2	106.2265	0.905	2	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:2:3:1:	4:3:1:	3:4:	C[5,3x6]-4:O[5]-2:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H)	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]O)(O)	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,3x6]C[6]H)	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]O)(O){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,3x6]C[6]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	107.2490	0.000	1	107.2490	0.000	1	107.2490	0.000	1	109.4440	9.636	2	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:2:3:1:	4:3:1:	3:4:	C[5,6]-4:O[5]-2:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]H)(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]H)(H){1|O<2>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	111.6390	0.000	1	111.6390	0.000	1	111.6390	0.000	1	109.4440	9.636	2	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:2:3:1:	4:3:2:	3:4:	C[5,3x6]-4:O[5]-2:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-2:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H)	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]H)(OC)	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,3x6]C[6]H)	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]H)(OC){1|C<4>,1|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,3x6]C[6]H){1|C<4>,2|O<2>,4|C<3>}	109.3600	0.000	1	109.3600	0.000	1	109.3600	0.000	1	110.5403	1.071	3	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:2:3:1:	4:3:2:	3:4:	C[5,6]-4:O[5]-2:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-2:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(OH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]O)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(OH){1|C<4>,2|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	111.1305	0.227	2	111.1305	0.052	2	111.1305	0.052	2	110.5403	1.071	3	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:2:3:1:	4:4:1:	3:4:	C[5,3x6]-4:O[5]-2:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H)	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(O)	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,3x6]C[6]H)	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(O){2|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,3x6]C[6]H){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	108.7265	0.674	6	108.8723	0.612	9	108.8723	0.612	9	108.8723	0.612	9	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:2:3:1:	4:4:1:	3:4:	C[5,3x6]-4:O[5]-2:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H)	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(O)	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,3x6]C[6]H)	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H){2|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(O){2|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,3x6]C[6]H){1|N<3>,1|O<1>,2|C<3>,3|C<4>}	108.5310	0.000	1	108.8723	0.612	9	108.8723	0.612	9	108.8723	0.612	9	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:2:3:1:	4:4:1:	3:4:	C[5,3x6]-4:O[5]-2:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H)	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(O)	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,3x6]C[6]H)	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H){2|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(O){2|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,3x6]C[6]H){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	109.4805	1.281	2	108.8723	0.612	9	108.8723	0.612	9	108.8723	0.612	9	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:2:3:1:	4:4:1:	4:3:	C[5,6,6]-4:O[5]-2:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5,6a]-3:	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(O)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[5,6a]C[6a])	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H){2|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(O){2|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[5,6a]C[6a]){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	108.7240	0.000	1	108.7240	0.000	1	108.7240	0.000	1	108.7240	0.000	1	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:2:3:2:	4:2:3:	3:4:	C[5,6]-4:O[5]-2:C[6]-3:O-2:	C[5,6]-4:N[6]-2:C-3:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6,6a]C)(O[5]C[5,6a])(C[6]N[6]C)(OH)	C[6](C[5,6]C[5,6]O[5]O)(N[6]C[6,6a])(CNO)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]O)	C[5,6](C[5,6]C[5,6a]C[6,6a]C)(O[5]C[5,6a])(C[6]N[6]C)(OH){4|C<3>}	C[6](C[5,6]C[5,6]O[5]O)(N[6]C[6,6a])(CNO){1|C<4>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	104.6040	0.000	1	104.6040	0.000	1	104.6040	0.000	1	104.6040	0.000	1	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:2:3:3:	4:3:1:	3:4:	C[5]-4:O[5]-2:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]C)(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)	C[5,6](C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]H)(C[6]C[6]O){1|C<4>,1|S<2>,3|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]C)(H){1|O<1>,3|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2){1|O<1>,1|S<2>,3|H<1>,4|C<3>}	108.1070	0.000	1	108.1070	0.000	1	108.1070	0.000	1	105.3368	4.923	6	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:2:3:3:	4:3:1:	3:4:	C[5]-4:O[5]-2:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:O-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]S)(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)	C[5,6](C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]H)(C[6]C[6]O){1|C<4>,1|S<2>,3|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]S)(O){3|C<3>,4|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2){1|O<1>,1|S<2>,3|H<1>,4|C<3>}	103.6520	0.000	1	103.6520	0.000	1	103.6520	0.000	1	105.3368	4.923	6	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:2:3:3:	4:3:1:	3:4:	C[5]-4:O[5]-2:C[6]-3:C[6]-3:	C[5,6]-4:N[6]-3:O-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5]C[5,6a]CC)(O[5]C[5,6a])(C[6]N[6]O)2	C[6](C[5,6]C[5]C[6]O[5])(N[6]C[6]C)(O)	O[5](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6]2)	C[5,6](C[5]C[5,6a]CC)(O[5]C[5,6a])(C[6]N[6]O)2{1|N<3>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(N[6]C[6]C)(O){1|N<3>,2|C<3>,2|C<4>,2|O<1>}	O[5](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6]2){2|C<3>,2|N<3>,2|O<1>,3|C<4>}	106.8870	0.694	2	106.8870	0.482	2	106.8870	0.482	2	105.3368	4.923	6	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:2:3:3:	4:3:1:	3:4:	C[5]-4:O[5]-2:C[6]-3:N[6]-3:	C[5,6]-4:N[6]-3:O-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]N[6]O)(N[6]C[6]H)	C[6](C[5,6]C[5]N[6]O[5])(N[6]C[6]H)(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]N[6])	C[5,6](C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]N[6]O)(N[6]C[6]H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[5,6]C[5]N[6]O[5])(N[6]C[6]H)(O){3|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]N[6]){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	103.2440	0.231	2	103.2440	0.053	2	103.2440	0.053	2	105.3368	4.923	6	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:2:3:3:	4:3:2:	3:4:	C[5,6]-4:O[5]-2:C[6]-3:C-3:	C[5,6]-4:C[6]-3:O-2:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]O)(CNO)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(OH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]O)(CNO){3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(OH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C){1|C<4>,1|H<1>,1|O<2>,1|S<4>,3|C<3>}	105.8110	0.000	1	105.8110	0.000	1	105.8110	0.000	1	105.8110	0.000	1	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:2:3:3:	4:4:1:	3:4:	C[5,6]-4:O[5]-2:C[6]-3:N-3:	C[5,6]-4:C[6]-4:O-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]O)(NC[6a]H)	C[6](C[5,6]C[5,6]O[5]N)(C[6]C[6]HH)(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]N)	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]O)(NC[6a]H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]N)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]N){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	102.2270	0.000	1	102.2270	0.000	1	102.2270	0.000	1	105.7047	9.120	3	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:2:3:3:	4:4:1:	3:4:	C[5]-4:O[5]-2:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-3:C[5,6]-4:	C[5,6](C[5]C[5,6]C[6a]H)(O[5]C[5,6])(C[6]C[6]O)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(O)	O[5](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]2)	C[5,6](C[5]C[5,6]C[6a]H)(O[5]C[5,6])(C[6]C[6]O)2{2|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(O){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	O[5](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]2){2|C<3>,2|O<1>,3|C<4>,3|H<1>}	107.4435	0.315	2	107.4435	0.099	2	107.4435	0.099	2	105.7047	9.120	3	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:2:3:4:	4:3:1:	3:4:	C[5,6]-4:O[5]-2:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C){1|C<4>,2|H<1>,4|C<3>}	106.4450	2.490	2	106.4450	6.202	2	106.4450	6.202	2	106.4450	6.202	2	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:3:2:1:	3:4:1:	3:4:	C[5,6]-4:C[6]-3:O[5]-2:Br-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6a]O[6]H)(C[6]C[6,6a]O)(O[5]C[5,6a])(Br)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]Br)(O)	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]C[6]Br)	C[5,6](C[5,6]C[5,6a]O[6]H)(C[6]C[6,6a]O)(O[5]C[5,6a])(Br){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]Br)(O){1|O<2>,2|H<1>,4|C<3>}	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]C[6]Br){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	110.1330	0.000	1	110.1330	0.000	1	110.1330	0.000	1	110.1330	0.000	1	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:3:2:1:	4:3:1:	4:2:	C[5,5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:N[5]-2:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]O)(O[5]N[5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]H)(O)	O[5](C[5,6]C[5,5,6]C[6]H)(N[5]C[5,5])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]O)(O[5]N[5])(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	O[5](C[5,6]C[5,5,6]C[6]H)(N[5]C[5,5]){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	106.0100	0.000	1	106.0100	0.000	1	106.0100	0.000	1	106.5150	6.279	4	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:3:2:1:	4:3:1:	4:2:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:N[5]-2:	C[5,6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(O[5]N[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6]H)(H)	O[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5,6])	C[5,6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(O[5]N[5])(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	O[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5,6]){1|C<3>,1|H<1>,3|C<4>}	106.6680	0.000	1	106.6680	0.000	1	108.2000	4.694	2	106.5150	6.279	4	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:3:2:1:	4:3:1:	4:2:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:N[5]-2:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(O[5]N[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(H)	O[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5,6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(O[5]N[5])(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	O[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5,6]){1|C<4>,2|C<3>,2|H<1>}	109.7320	0.000	1	109.7320	0.000	1	108.2000	4.694	2	106.5150	6.279	4	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:3:2:1:	4:3:1:	4:2:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:N[5]-2:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]O)(O[5]N[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(O)	O[5](C[5,6]C[5,6]C[6]H)(N[5]C[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]O)(O[5]N[5])(H){1|H<1>,2|C<3>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	103.6500	0.000	1	103.6500	0.000	1	103.6500	0.000	1	106.5150	6.279	4	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:3:2:1:	4:3:1:	4:3:	C[5,3x6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6]-3:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[6]C[6,6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,3x6]O[5]H)(C[6,6]C[5,6]C[6,6])(H)	O[5](C[5,6]C[5,3x6]C[6]H)(C[5]C[5,6,6]O)	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[6]C[6,6]H)(O[5]C[5])(H){1|O<1>,6|C<4>}	C[6](C[5,6]C[5,3x6]O[5]H)(C[6,6]C[5,6]C[6,6])(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	O[5](C[5,6]C[5,3x6]C[6]H)(C[5]C[5,6,6]O){1|C<3>,2|H<1>,3|C<4>}	110.1770	0.000	1	110.1770	0.000	1	111.0800	1.631	2	112.0906	3.022	18	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:3:2:1:	4:3:1:	4:3:	C[5,3x6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6]-3:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[6]C[6,6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,3x6]O[5]H)(C[6,6]C[6,6]C[6])(H)	O[5](C[5,6]C[5,3x6]C[6]H)(C[5]C[5,6,6]O)	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[6]C[6,6]H)(O[5]C[5])(H){1|O<1>,6|C<4>}	C[6](C[5,6]C[5,3x6]O[5]H)(C[6,6]C[6,6]C[6])(H){1|C<3>,4|C<4>,4|H<1>}	O[5](C[5,6]C[5,3x6]C[6]H)(C[5]C[5,6,6]O){1|C<3>,2|H<1>,3|C<4>}	111.9830	0.000	1	111.9830	0.000	1	111.0800	1.631	2	112.0906	3.022	18	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:3:2:1:	4:3:1:	4:3:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[3x6]-3:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[3x6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[3x6]C[4x6]C[6,6])(H)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[3x6]H)(O[5]C[5])(H){1|O<1>,6|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[3x6]C[4x6]C[6,6])(H){1|C<3>,3|H<1>,5|C<4>}	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O){1|C<3>,2|H<1>,3|C<4>}	114.1515	0.282	2	114.1515	0.080	2	114.1515	0.080	2	112.0906	3.022	18	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:3:2:1:	4:3:1:	4:3:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6]-3:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(H)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])(H){1|C<3>,1|O<1>,5|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O){1|C<3>,2|H<1>,3|C<4>}	112.2400	0.334	3	112.4770	2.101	10	112.4770	2.101	10	112.0906	3.022	18	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:3:2:1:	4:3:1:	4:3:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6]-3:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(H)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])(H){1|C<3>,1|O<1>,5|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O){1|C<3>,2|H<1>,3|C<4>}	112.0570	0.419	3	112.4770	2.101	10	112.4770	2.101	10	112.0906	3.022	18	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:3:2:1:	4:3:1:	4:3:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6]-3:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(H)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])(H){1|C<3>,1|O<1>,5|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O){1|C<3>,2|H<1>,3|C<4>}	111.0040	0.000	1	112.4770	2.101	10	112.4770	2.101	10	112.0906	3.022	18	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:3:2:1:	4:3:1:	4:3:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6]-3:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(H)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])(H){1|C<3>,1|O<1>,5|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O){1|C<3>,2|H<1>,3|C<4>}	111.2270	0.000	1	112.4770	2.101	10	112.4770	2.101	10	112.0906	3.022	18	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:3:2:1:	4:3:1:	4:3:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6]-3:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(H)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])(H){1|O<1>,2|C<3>,4|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O){2|C<3>,2|C<4>,2|H<1>}	113.6230	0.000	1	112.4770	2.101	10	112.4770	2.101	10	112.0906	3.022	18	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:3:2:1:	4:3:1:	4:3:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6]-3:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(H)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])(H){1|O<1>,6|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(H){1|C<3>,4|C<4>,4|H<1>}	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O){1|C<3>,2|H<1>,3|C<4>}	116.0250	0.000	1	112.4770	2.101	10	112.4770	2.101	10	112.0906	3.022	18	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:3:2:1:	4:3:1:	4:3:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:Br-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]Br)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(Br)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]Br)(O[5]C[5])(H){1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(Br){1|C<3>,2|C<4>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	109.6870	0.000	1	109.6870	0.000	1	109.6870	0.000	1	112.0906	3.022	18	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:3:2:1:	4:3:1:	4:3:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]Br)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]H)(O[5]C[5])(H){1|Br<1>,1|C<4>,1|O<1>,2|F<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]Br)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O){1|C<4>,1|H<1>,2|C<3>}	112.1025	0.305	2	112.1025	0.093	2	110.9037	4.358	3	112.0906	3.022	18	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:3:2:1:	4:3:1:	4:3:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]H)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,2|F<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O){1|C<4>,1|H<1>,2|C<3>}	108.5060	0.000	1	108.5060	0.000	1	110.9037	4.358	3	112.0906	3.022	18	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:3:2:1:	4:4:1:	4:2:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:N[5]-2:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]O)(O[5]N[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(O)	O[5](C[5,6]C[5,6]C[6]H)(N[5]C[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]O)(O[5]N[5])(H){3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]){1|H<1>,1|O<1>,3|C<4>}	111.5890	0.000	1	111.5890	0.000	1	111.5890	0.000	1	111.5890	0.000	1	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:3:2:1:	4:4:1:	4:3:	C[5,5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6]O)(O[5]C[5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]CH)(O)	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6]O)(O[5]C[5])(H){1|O<1>,5|C<4>,5|H<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]CH)(O){1|C<3>,5|C<4>}	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]O){1|O<1>,2|H<1>,3|C<4>}	109.8240	0.000	1	109.8240	0.000	1	109.8240	0.000	1	109.8240	0.000	1	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:3:2:2:	3:4:1:	4:2:	C[5]-4:C[6]-3:O[5]-2:S[6]-2:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:N[5]-2:	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(O[5]N[5])(S[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[5]S[6])(O)	O[5](C[5,6]C[5]C[6]S[6])(N[5]C[5])	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(O[5]N[5])(S[6]C[6]){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[5]S[6])(O){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	O[5](C[5,6]C[5]C[6]S[6])(N[5]C[5]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	105.5200	0.000	1	105.5200	0.000	1	105.5200	0.000	1	105.5200	0.000	1	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:3:2:2:	4:2:2:	4:2:	C[5]-4:C[6]-3:N[6]-2:O[5]-2:	C[5,6]-4:N[6]-2:O-2:	C[5,6]-4:N[5]-2:	C[5,6](C[5]C[5]HH)(C[6]N[6]O)(N[6]C[6])(O[5]N[5])	C[6](C[5,6]C[5]N[6]O[5])(N[6]C[6])(OC)	O[5](C[5,6]C[5]C[6]N[6])(N[5]C[5])	C[5,6](C[5]C[5]HH)(C[6]N[6]O)(N[6]C[6])(O[5]N[5]){1|C<3>,1|C<4>,1|O<2>}	C[6](C[5,6]C[5]N[6]O[5])(N[6]C[6])(OC){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	O[5](C[5,6]C[5]C[6]N[6])(N[5]C[5]){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	106.4550	0.000	1	106.4550	0.000	1	106.4550	0.000	1	106.4550	0.000	1	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:3:2:2:	4:3:4:	4:3:	C[5,6]-4:C[6]-3:O[5]-2:N-2:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]C)(O[5]C[5])(NC)	C[6](C[5,6]C[5,6]O[5]N)(C[6]C[6]H)(CH3)	O[5](C[5,6]C[5,6]C[6]N)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]C)(O[5]C[5])(NC){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]N)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]N)(C[5]C[5]O){3|C<3>,3|C<4>}	109.6380	0.000	1	109.6380	0.000	1	109.6380	0.000	1	109.6380	0.000	1	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:3:2:2:	4:4:1:	4:3:	C[5,5,6]-4:C[6]-3:O[5]-2:O-2:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6]O)(O[5]C[5])(OH)	C[6](C[5,6]C[5,5,6]O[5]O)(C[6]C[6]CO)(O)	O[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5]O)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6]O)(O[5]C[5])(OH){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C[6](C[5,6]C[5,5,6]O[5]O)(C[6]C[6]CO)(O){1|C<3>,5|C<4>}	O[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5]O){1|O<1>,2|H<1>,3|C<4>}	104.7310	0.000	1	104.7310	0.000	1	104.7310	0.000	1	104.7310	0.000	1	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:3:2:3:	4:3:4:	4:3:	C[5,6]-4:C[6]-3:O[5]-2:C-3:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]C)(O[5]C[5])(CCH)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(CHHO)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]C)(O[5]C[5])(CCH){1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(CHHO){1|C<3>,2|C<4>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O){1|C<3>,2|C<4>,3|H<1>}	108.2900	0.000	1	108.2900	0.000	1	108.2900	0.000	1	108.2900	0.000	1	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:3:2:4:	4:3:1:	4:3:	C[3,5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[6]C[6]H)(O[5]C[5])(CCCH)	C[6](C[5,6]C[3,5,6]O[5]C)(C[6]C[6]Br)(H)	O[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]O)	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[6]C[6]H)(O[5]C[5])(CCCH){1|Br<1>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5,6]C[3,5,6]O[5]C)(C[6]C[6]Br)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	O[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]O){1|C<4>,2|C<3>,2|H<1>}	103.9820	0.000	1	103.9820	0.000	1	103.9820	0.000	1	106.7393	4.071	10	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:3:2:4:	4:3:1:	4:3:	C[5,6,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6]H)(H)	O[5](C[5,6]C[5,6,6]C[6]C)(C[5]N[5,6]O)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O[5](C[5,6]C[5,6,6]C[6]C)(C[5]N[5,6]O){1|C<4>,2|C<3>,2|H<1>}	105.6960	0.000	1	106.9770	3.282	2	106.9770	3.282	2	106.7393	4.071	10	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:3:2:4:	4:3:1:	4:3:	C[5,6,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6]H)(H)	O[5](C[5,6]C[5,6,6]C[6]C)(C[5]N[5,6]O)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|H<1>,1|O<1>,3|C<3>}	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	O[5](C[5,6]C[5,6,6]C[6]C)(C[5]N[5,6]O){2|H<1>,3|C<3>}	108.2580	0.000	1	106.9770	3.282	2	106.9770	3.282	2	106.7393	4.071	10	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:3:2:4:	4:3:1:	4:3:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CF3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CF3){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	106.7700	0.000	1	106.7700	0.000	1	107.6253	2.344	6	106.7393	4.071	10	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:3:2:4:	4:3:1:	4:3:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	108.3630	1.214	4	108.3630	1.474	4	107.6253	2.344	6	106.7393	4.071	10	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:3:2:4:	4:3:1:	4:3:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]C)(H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O){1|C<4>,2|C<3>,2|H<1>}	105.5300	0.000	1	105.5300	0.000	1	107.6253	2.344	6	106.7393	4.071	10	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:3:2:4:	4:3:1:	4:3:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6]N[5]C)(C[6]C[6]O)(O[5]C[5])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(O)	O[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]C)	C[5,6](C[5,6]C[6]N[5]C)(C[6]C[6]O)(O[5]C[5])(CH3){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(O){1|C<3>,1|N<2>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]C){1|C<3>,1|O<1>,2|C<4>}	103.7050	0.000	1	103.7050	0.000	1	103.7050	0.000	1	106.7393	4.071	10	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:3:2:4:	4:3:2:	4:3:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:C[6]-3:O-2:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]O)(O[5]C[5])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]C)(OC)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]O)(O[5]C[5])(CH3){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]C)(OC){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	108.7120	0.000	1	108.7120	0.000	1	106.1610	5.089	3	106.1610	5.089	3	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:3:2:4:	4:3:2:	4:3:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:C[6]-3:O-2:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]O)(O[5]C[5])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(OH)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]O)(O[5]C[5])(CH3){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(OH){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	104.8855	0.646	2	104.8855	0.417	2	106.1610	5.089	3	106.1610	5.089	3	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:3:2:4:	4:3:4:	4:3:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6]N[5]O)(C[6]C[6]C)(O[5]C[5])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(CH3)	O[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]C)	C[5,6](C[5,6]C[6]N[5]O)(C[6]C[6]C)(O[5]C[5])(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]C){1|C<4>,1|O<2>,2|C<3>}	106.9240	0.000	1	106.9240	0.000	1	106.9240	0.000	1	106.9240	0.000	1	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:3:3:2:	3:4:1:	4:2:	C[5]-4:N[6]-3:C[6]-3:O[5]-2:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:N[5]-2:	C[5,6](C[5]C[6a]C[5]H)(N[6]C[6a]C[6])(C[6]C[6,6a]O)(O[5]N[5])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]O[5])(O)	O[5](C[5,6]C[5]C[6]N[6])(N[5]C[5])	C[5,6](C[5]C[6a]C[5]H)(N[6]C[6a]C[6])(C[6]C[6,6a]O)(O[5]N[5]){2|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]O[5])(O){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	O[5](C[5,6]C[5]C[6]N[6])(N[5]C[5]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	100.8990	0.000	1	100.8990	0.000	1	100.8990	0.000	1	100.8990	0.000	1	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:3:3:2:	4:3:1:	4:3:	C[5,6]-4:C[5]-3:C[6]-3:O[5]-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]C)(C[6]C[6]H)(O[5]C[5])	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]H)(H)	O[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]C)(C[6]C[6]H)(O[5]C[5]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	O[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	104.6010	0.000	1	104.6010	0.000	1	104.6010	0.000	1	106.4494	0.985	7	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:3:3:2:	4:3:1:	4:3:	C[5]-4:C[6]-3:C[6]-3:O[5]-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5]C[5]CC)(C[6]C[6]H)2(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]C)	C[5,6](C[5]C[5]CC)(C[6]C[6]H)2(O[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]C){2|C<4>,2|H<1>,3|C<3>}	107.0770	0.860	2	107.0770	0.739	2	106.7575	0.385	6	106.4494	0.985	7	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:3:3:2:	4:3:1:	4:3:	C[5]-4:C[6]-3:C[6]-3:O[5]-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5]C[5]HH)(C[6]C[6]H)2(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]Br)(H)	O[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5])	C[5,6](C[5]C[5]HH)(C[6]C[6]H)2(O[5]C[5]){2|Br<1>,3|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]Br)(H){1|O<1>,3|C<3>,3|H<1>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5]){4|H<1>,5|C<3>}	106.8910	0.601	2	106.8910	0.361	2	106.7575	0.385	6	106.4494	0.985	7	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:3:3:2:	4:3:1:	4:3:	C[5]-4:C[6]-3:C[6]-3:O[5]-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5]C[5]HH)(C[6]C[6]H)2(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H)	O[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5])	C[5,6](C[5]C[5]HH)(C[6]C[6]H)2(O[5]C[5]){2|H<1>,3|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H){1|O<1>,3|C<3>,3|H<1>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5]){4|H<1>,5|C<3>}	106.3045	0.415	2	106.3045	0.172	2	106.7575	0.385	6	106.4494	0.985	7	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:3:3:2:	4:3:2:	4:3:	C[5]-4:C[6]-3:C[6]-3:O[5]-2:	C[5,6]-4:C[6]-3:O-2:	C[5,6]-4:C[5]-3:	C[5,6](C[5]C[5]HH)(C[6]C[6]O)2(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(OC)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)	C[5,6](C[5]C[5]HH)(C[6]C[6]O)2(O[5]C[5]){1|C<3>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(OC){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O){2|C<3>,2|O<2>,4|H<1>}	108.3935	0.476	2	108.3935	0.226	2	108.3935	0.226	2	108.3935	0.226	2	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:3:4:2:	3:4:1:	4:2:	C[5]-4:C[6]-3:C[6]-4:O[5]-2:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:N[5]-2:	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]N[5])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O)	O[5](C[5,6]C[5]C[6]2)(N[5]C[5])	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]N[5]){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O){1|C<4>,1|N<2>,4|C<3>,4|H<1>}	O[5](C[5,6]C[5]C[6]2)(N[5]C[5]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	102.1995	1.043	2	102.9312	0.974	6	103.0618	1.050	8	103.0618	1.050	8	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:3:4:2:	3:4:1:	4:2:	C[5]-4:C[6]-3:C[6]-4:O[5]-2:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:N[5]-2:	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]N[5])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O)	O[5](C[5,6]C[5]C[6]2)(N[5]C[5])	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]N[5]){2|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O){1|C<4>,1|N<2>,4|C<3>,4|H<1>}	O[5](C[5,6]C[5]C[6]2)(N[5]C[5]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	104.0870	0.000	1	102.9312	0.974	6	103.0618	1.050	8	103.0618	1.050	8	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:3:4:2:	3:4:1:	4:2:	C[5]-4:C[6]-3:C[6]-4:O[5]-2:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:N[5]-2:	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]N[5])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O)	O[5](C[5,6]C[5]C[6]2)(N[5]C[5])	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]N[5]){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O){1|C<4>,1|N<2>,4|C<3>,4|H<1>}	O[5](C[5,6]C[5]C[6]2)(N[5]C[5]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	103.5030	0.000	1	102.9312	0.974	6	103.0618	1.050	8	103.0618	1.050	8	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:3:4:2:	3:4:1:	4:2:	C[5]-4:C[6]-3:C[6]-4:O[5]-2:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:N[5]-2:	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]N[5])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O)	O[5](C[5,6]C[5]C[6]2)(N[5]C[5])	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]N[5]){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O){1|C<4>,2|N<2>,3|C<3>,4|H<1>}	O[5](C[5,6]C[5]C[6]2)(N[5]C[5]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	102.7990	1.007	2	102.9312	0.974	6	103.0618	1.050	8	103.0618	1.050	8	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:3:4:2:	3:4:1:	4:2:	C[5]-4:C[6]-3:C[6]-4:O[5]-2:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:N[5]-2:	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]O[6]CH)(O[5]N[5])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O)	O[5](C[5,6]C[5]C[6]2)(N[5]C[5])	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]O[6]CH)(O[5]N[5]){5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O){1|C<4>,1|N<2>,1|O<2>,3|H<1>,4|C<3>}	O[5](C[5,6]C[5]C[6]2)(N[5]C[5]){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	103.4535	1.439	2	103.4535	2.071	2	103.0618	1.050	8	103.0618	1.050	8	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:3:4:2:	4:4:1:	4:2:	C[5]-4:C[6]-3:C[6]-4:O[5]-2:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:N[5]-2:	C[5,6](C[5]C[6a]C[5]H)(C[6]C[5,6]O)(C[6]C[6]HH)(O[5]N[5])	C[6](C[5,6]C[5]C[6]O[5])2(O)	O[5](C[5,6]C[5]C[6]2)(N[5]C[5])	C[5,6](C[5]C[6a]C[5]H)(C[6]C[5,6]O)(C[6]C[6]HH)(O[5]N[5]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]C[6]O[5])2(O){1|C<4>,2|N<2>,4|C<3>,6|H<1>}	O[5](C[5,6]C[5]C[6]2)(N[5]C[5]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	106.7000	1.257	2	106.7000	1.581	2	103.7394	9.110	5	103.7394	9.110	5	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:3:4:2:	4:4:1:	4:2:	C[5]-4:C[6]-3:C[6]-4:O[5]-2:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:N[5]-2:	C[5,6](C[5]C[6a]C[5]H)(C[6]C[5,6]O)(C[6]N[6]HH)(O[5]N[5])	C[6](C[5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]O[5])(O)	O[5](C[5,6]C[5]C[6]2)(N[5]C[5])	C[5,6](C[5]C[6a]C[5]H)(C[6]C[5,6]O)(C[6]N[6]HH)(O[5]N[5]){3|C<3>,4|C<4>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]O[5])(O){1|C<4>,1|N<2>,2|N<3>,5|C<3>,6|H<1>}	O[5](C[5,6]C[5]C[6]2)(N[5]C[5]){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	101.7657	1.680	3	101.7657	2.822	3	103.7394	9.110	5	103.7394	9.110	5	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:4:2:3:	4:3:1:	4:3:	C[5,6]-4:C[5]-4:O[5]-2:C[6]-3:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5,6a]-3:	C[5,6](C[5,6]C[5]C[6]O[5])(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]H)(O)	O[5](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])	C[5,6](C[5,6]C[5]C[6]O[5])(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]O){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]H)(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	O[5](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a]){1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	109.6660	0.000	1	109.6660	0.000	1	110.0435	0.285	2	110.0435	0.285	2	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:4:2:3:	4:3:1:	4:3:	C[5,6]-4:C[5]-4:O[5]-2:C[6]-3:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5,6a]-3:	C[5,6](C[5,6]C[5]C[6]O[5])(C[5]C[5,6a]HO)(O[5]C[5,6a])(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]C)(O)	O[5](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])	C[5,6](C[5,6]C[5]C[6]O[5])(C[5]C[5,6a]HO)(O[5]C[5,6a])(C[6]C[6]O){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]C)(O){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	O[5](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a]){1|C<4>,1|H<1>,1|O<1>,2|O<2>,5|C<3>}	110.4210	0.000	1	110.4210	0.000	1	110.0435	0.285	2	110.0435	0.285	2	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:4:2:3:	4:3:4:	4:3:	C[6,6]-4:C[5]-4:O[5]-2:C[6]-3:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5,6a]-3:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]C)	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]H)(CH3)	O[5](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]C){2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]H)(CH3){2|C<3>,3|C<4>,4|H<1>}	O[5](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a]){2|H<1>,3|C<3>,5|C<4>}	103.6030	0.000	1	103.6030	0.000	1	104.1620	0.625	2	104.1620	0.625	2	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:4:2:3:	4:3:4:	4:3:	C[6,6]-4:C[5]-4:O[5]-2:C[6]-3:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5,6a]-3:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HO)(O[5]C[5,6a])(C[6]C[6]C)	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]H)(CH3)	O[5](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HO)(O[5]C[5,6a])(C[6]C[6]C){2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]H)(CH3){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	O[5](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a]){1|O<2>,2|H<1>,3|C<3>,4|C<4>}	104.7210	0.000	1	104.7210	0.000	1	104.1620	0.625	2	104.1620	0.625	2	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:4:3:2:	3:4:1:	4:2:	C[5]-4:C[6]-4:C[6]-3:O[5]-2:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:N[5]-2:	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(O[5]N[5])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O)	O[5](C[5,6]C[5]C[6]2)(N[5]C[5])	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(O[5]N[5]){7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O){1|N<2>,1|O<2>,3|H<1>,5|C<3>}	O[5](C[5,6]C[5]C[6]2)(N[5]C[5]){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	102.2427	0.804	3	102.2427	0.646	3	102.2427	0.646	3	102.2427	0.646	3	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:4:3:2:	4:3:1:	4:2:	C[5]-4:C[6]-4:C[6]-3:O[5]-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:N[5]-2:	C[5,6](C[5]C[5]HH)(C[6]C[6]HO)(C[6]C[6]H)(O[5]N[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]Br)(H)	O[5](C[5,6]C[5]C[6]2)(N[5]C[5])	C[5,6](C[5]C[5]HH)(C[6]C[6]HO)(C[6]C[6]H)(O[5]N[5]){2|Br<1>,2|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]Br)(H){1|N<2>,2|C<3>,2|O<2>,3|H<1>}	O[5](C[5,6]C[5]C[6]2)(N[5]C[5]){1|O<2>,3|C<3>,4|H<1>}	106.3137	2.334	3	106.3137	5.448	3	106.3137	5.448	3	106.3137	5.448	3	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:4:3:2:	4:3:1:	4:3:	C[3x6]-4:C[5]-4:C[6]-3:O[5]-2:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5]-3:	C[5,6](C[3x6]C[3x6]2H)(C[5]C[5]HH)(C[6]C[6]O)(O[5]C[5])	C[6](C[5,6]C[3x6]C[5]O[5])(C[6]C[6]C)(O)	O[5](C[5,6]C[3x6]C[5]C[6])(C[5]C[5]O)	C[5,6](C[3x6]C[3x6]2H)(C[5]C[5]HH)(C[6]C[6]O)(O[5]C[5]){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[3x6]C[5]O[5])(C[6]C[6]C)(O){1|C<3>,3|C<4>,4|H<1>}	O[5](C[5,6]C[3x6]C[5]C[6])(C[5]C[5]O){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	109.4220	0.000	1	108.9505	0.445	2	108.9505	0.445	2	108.4317	1.030	3	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:4:3:2:	4:3:1:	4:3:	C[3x6]-4:C[5]-4:C[6]-3:O[5]-2:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5]-3:	C[5,6](C[3x6]C[3x6]2H)(C[5]C[5]HH)(C[6]C[6]O)(O[5]C[5])	C[6](C[5,6]C[3x6]C[5]O[5])(C[6]C[6]C)(O)	O[5](C[5,6]C[3x6]C[5]C[6])(C[5]C[5]O)	C[5,6](C[3x6]C[3x6]2H)(C[5]C[5]HH)(C[6]C[6]O)(O[5]C[5]){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[3x6]C[5]O[5])(C[6]C[6]C)(O){1|C<3>,3|C<4>,4|H<1>}	O[5](C[5,6]C[3x6]C[5]C[6])(C[5]C[5]O){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	108.4790	0.000	1	108.9505	0.445	2	108.9505	0.445	2	108.4317	1.030	3	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:4:3:2:	4:3:1:	4:3:	C[5]-4:C[6]-4:C[6]-3:O[5]-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5]C[6]O[5]H)(C[6]C[6]CC)(C[6]C[6]H)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H)	O[5](C[5,6]C[5]C[6]2)(C[5]O[5]O)	C[5,6](C[5]C[6]O[5]H)(C[6]C[6]CC)(C[6]C[6]H)(O[5]C[5]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	O[5](C[5,6]C[5]C[6]2)(C[5]O[5]O){2|C<3>,2|H<1>,3|C<4>}	107.3940	0.000	1	107.3940	0.000	1	107.3940	0.000	1	108.4317	1.030	3	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:4:3:2:	4:4:1:	4:2:	C[5]-4:C[6]-4:C[6]-3:O[5]-2:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:N[5]-2:	C[5,6](C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O)(O[5]N[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(O)	O[5](C[5,6]C[5]C[6]2)(N[5]C[5])	C[5,6](C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O)(O[5]N[5]){2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(O){1|N<2>,1|N<3>,2|C<3>,5|H<1>}	O[5](C[5,6]C[5]C[6]2)(N[5]C[5]){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	105.7830	0.000	1	105.7830	0.000	1	105.7830	0.000	1	105.7830	0.000	1	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:4:3:2:	4:4:1:	4:3:	C[5,6]-4:C[5]-4:C[6]-3:O[5]-2:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6,6]N[5]H)(C[5]C[5]HH)(C[6]C[6]O)(O[5]C[5])	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6,6]HH)(O)	O[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]O)	C[5,6](C[5,6]C[5,6,6]N[5]H)(C[5]C[5]HH)(C[6]C[6]O)(O[5]C[5]){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6,6]HH)(O){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	O[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]O){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	104.6000	0.000	1	104.6000	0.000	1	104.6000	0.000	1	106.2240	5.275	2	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:4:3:2:	4:4:1:	4:3:	C[5]-4:C[6]-4:C[6]-3:O[5]-2:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(O)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(O){2|C<3>,2|C<4>,5|H<1>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	107.8480	0.000	1	107.8480	0.000	1	107.8480	0.000	1	106.2240	5.275	2	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5,6]	C[6]	O[5]	4:4:3:2:	4:4:3:	4:3:	C[3x6]-4:C[5]-4:C[6]-3:O[5]-2:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:C[5]-3:	C[5,6](C[3x6]C[4x6]C[6,6]C)(C[5]C[5]HH)(C[6]C[6]C)(O[5]C[5])	C[6](C[5,6]C[3x6]C[5]O[5])(C[6]C[6]HH)(CCC)	O[5](C[5,6]C[3x6]C[5]C[6])(C[5]C[5]O)	C[5,6](C[3x6]C[4x6]C[6,6]C)(C[5]C[5]HH)(C[6]C[6]C)(O[5]C[5]){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6](C[5,6]C[3x6]C[5]O[5])(C[6]C[6]HH)(CCC){1|C<3>,4|C<4>,4|H<1>}	O[5](C[5,6]C[3x6]C[5]C[6])(C[5]C[5]O){1|C<3>,4|C<4>,4|H<1>}	113.0370	0.000	1	113.0370	0.000	1	113.0370	0.000	1	113.0370	0.000	1	107.6797	7.920	187	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5]	C[6]	O[5]	3:2:3:1:	4:3:3:	3:4:	C[5,6a]-3:O[5]-2:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(O[5]C[5,6a])(C[6]C[6]2)(H)	C[6](C[5]C[5,6a]O[5]H)(C[6]C[6]O)2	O[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(O[5]C[5,6a])(C[6]C[6]2)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[5]C[5,6a]O[5]H)(C[6]C[6]O)2{1|C<4>,3|C<3>,4|H<1>}	O[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6]H){1|H<1>,5|C<3>}	109.6070	2.509	2	109.6070	6.294	2	109.6070	6.294	2	109.6070	6.294	2	109.7586	1.698	7	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5]	C[6]	O[5]	3:4:2:1:	4:4:3:	4:3:	C[6]-3:C[5]-4:O[5]-2:H-1:	C[6,6]-4:C[5]-4:C[6]-3:	C[5]-4:C[5]-3:	C[5](C[6]C[6,6]C[6])(C[5]O[5]CC)(O[5]C[5])(H)	C[6](C[6,6]C[6,6]C[6]C)(C[5]C[5]O[5]H)(C[6]C[6]H)	O[5](C[5]C[5]C[6]H)(C[5]O[5]O)	C[5](C[6]C[6,6]C[6])(C[5]O[5]CC)(O[5]C[5])(H){1|H<1>,1|O<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[5]C[5]O[5]H)(C[6]C[6]H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	O[5](C[5]C[5]C[6]H)(C[5]O[5]O){1|C<3>,3|C<4>}	108.4260	0.000	1	108.4260	0.000	1	108.4260	0.000	1	108.4260	0.000	1	109.7586	1.698	7	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5]	C[6]	O[5]	4:3:2:1:	4:3:3:	4:3:	C[3,5]-4:C[6]-3:O[5]-2:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:C[5]-3:	C[5](C[3,5]C[3,5]O[3]H)(C[6]C[6]2)(O[5]C[5])(H)	C[6](C[5]C[3,5]O[5]H)(C[6]C[6]C)(C[6]C[6]O)	O[5](C[5]C[3,5]C[6]H)(C[5]C[3,5]O)	C[5](C[3,5]C[3,5]O[3]H)(C[6]C[6]2)(O[5]C[5])(H){2|C<3>,2|C<4>,2|O<1>}	C[6](C[5]C[3,5]O[5]H)(C[6]C[6]C)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	O[5](C[5]C[3,5]C[6]H)(C[5]C[3,5]O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	110.1400	0.000	1	110.1675	0.468	4	110.1675	0.468	4	110.1675	0.468	4	109.7586	1.698	7	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5]	C[6]	O[5]	4:3:2:1:	4:3:3:	4:3:	C[3,5]-4:C[6]-3:O[5]-2:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:C[5]-3:	C[5](C[3,5]C[3,5]O[3]H)(C[6]C[6]2)(O[5]C[5])(H)	C[6](C[5]C[3,5]O[5]H)(C[6]C[6]C)(C[6]C[6]O)	O[5](C[5]C[3,5]C[6]H)(C[5]C[3,5]O)	C[5](C[3,5]C[3,5]O[3]H)(C[6]C[6]2)(O[5]C[5])(H){2|C<3>,2|C<4>,2|O<1>}	C[6](C[5]C[3,5]O[5]H)(C[6]C[6]C)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	O[5](C[5]C[3,5]C[6]H)(C[5]C[3,5]O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	110.6600	0.051	2	110.1675	0.468	4	110.1675	0.468	4	110.1675	0.468	4	109.7586	1.698	7	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP2	C[5]	C[6]	O[5]	4:3:2:1:	4:3:3:	4:3:	C[3,5]-4:C[6]-3:O[5]-2:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:C[5]-3:	C[5](C[3,5]C[3,5]O[3]H)(C[6]C[6]2)(O[5]C[5])(H)	C[6](C[5]C[3,5]O[5]H)(C[6]C[6]C)(C[6]C[6]O)	O[5](C[5]C[3,5]C[6]H)(C[5]C[3,5]O)	C[5](C[3,5]C[3,5]O[3]H)(C[6]C[6]2)(O[5]C[5])(H){2|C<3>,2|C<4>,2|O<1>}	C[6](C[5]C[3,5]O[5]H)(C[6]C[6]C)(C[6]C[6]O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O[5](C[5]C[3,5]C[6]H)(C[5]C[3,5]O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	109.2100	0.000	1	110.1675	0.468	4	110.1675	0.468	4	110.1675	0.468	4	109.7586	1.698	7	108.1023	11.747	247
474	762	976	0:SP3_SP2_SP3	C[5,3x6]	C[6,6]	O[5]	3:3:3:2:	4:3:3:	4:4:	C[5,6,6]-3:C[6,6]-3:C[6,6]-3:O[5]-2:	C[5,3x6]-4:C[6,6]-3:C-3:	C[5,3x6]-4:C[5]-4:	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]C)2(O[5]C[5])	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]H)(CHO)	O[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]C)2(O[5]C[5]){1|C<4>,7|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]H)(CHO){2|C<3>,4|C<4>}	O[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH){1|H<1>,2|C<4>,3|C<3>}	113.5010	0.000	1	113.5010	0.000	1	113.5010	0.000	1	113.5010	0.000	1	115.6912	14.513	4	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,3x6]	C[6,6]	O[5]	3:3:3:2:	4:3:4:	4:4:	C[5,6,6]-3:C[6,6]-3:C[6,6]-3:O[5]-2:	C[5,3x6]-4:C[6,6]-3:C-4:	C[5,3x6]-4:C[5]-4:	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]C)2(O[5]C[5])	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]H)(CC3)	O[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]C)2(O[5]C[5]){1|C<4>,7|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]H)(CC3){3|C<3>,3|C<4>}	O[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH){1|H<1>,2|C<4>,3|C<3>}	117.4680	0.000	1	117.4680	0.000	1	117.4680	0.000	1	117.4680	0.000	1	115.6912	14.513	4	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,3x6]	C[6,6]	O[5]	4:3:3:2:	4:3:4:	4:4:	C[5,3x6]-4:C[6,6]-3:C[6,6]-3:O[5]-2:	C[5,3x6]-4:C[6,6]-3:C-4:	C[5,3x6]-4:C[5,6]-4:	C[5,3x6](C[5,3x6]C[5,6]O[6,6]C[6])(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(O[5]C[5,6])	C[6,6](C[5,3x6]C[5,3x6]C[6,6]O[5])(C[6,6]C[3x6]H)(CC3)	O[5](C[5,3x6]C[5,3x6]C[6,6]2)(C[5,6]C[5,6]C[6]C)	C[5,3x6](C[5,3x6]C[5,6]O[6,6]C[6])(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(O[5]C[5,6]){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[5,3x6]C[5,3x6]C[6,6]O[5])(C[6,6]C[3x6]H)(CC3){1|C<3>,1|O<1>,1|O<2>,4|C<4>}	O[5](C[5,3x6]C[5,3x6]C[6,6]2)(C[5,6]C[5,6]C[6]C){1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	120.1110	0.000	1	120.1110	0.000	1	120.1110	0.000	1	120.1110	0.000	1	115.6912	14.513	4	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,3x6]	C[6,6]	O[5]	4:3:3:2:	4:4:1:	4:4:	C[5,3x6]-4:C[6,6]-3:C[6,6]-3:O[5]-2:	C[5,3x6]-4:C[6,6]-4:O-1:	C[5,3x6]-4:C[5,6]-4:	C[5,3x6](C[5,3x6]C[5,6]O[6,6]C[6])(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(O[5]C[5,6])	C[6,6](C[5,3x6]C[5,3x6]C[6,6]O[5])(C[6,6]C[3x6]C[6]H)(O)	O[5](C[5,3x6]C[5,3x6]C[6,6]2)(C[5,6]C[5,6]C[6]C)	C[5,3x6](C[5,3x6]C[5,6]O[6,6]C[6])(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(O[5]C[5,6]){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[5,3x6]C[5,3x6]C[6,6]O[5])(C[6,6]C[3x6]C[6]H)(O){1|H<1>,1|O<2>,2|C<3>,6|C<4>}	O[5](C[5,3x6]C[5,3x6]C[6,6]2)(C[5,6]C[5,6]C[6]C){1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	111.6850	0.000	1	111.6850	0.000	1	111.6850	0.000	1	111.6850	0.000	1	115.6912	14.513	4	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,3x6]	C[6]	O[5]	4:4:2:3:	4:2:1:	4:4:	C[5,4x6]-4:C[6,6]-4:O[5]-2:C[6]-3:	C[5,3x6]-4:O[6]-2:O-1:	C[5,3x6]-4:C[5,6]-4:	C[5,3x6](C[5,4x6]C[3,6,6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O)	C[6](C[5,3x6]C[5,4x6]C[6,6]O[5])(O[6]C[6])(O)	O[5](C[5,3x6]C[5,4x6]C[6,6]C[6])(C[5,6]C[5,6,6]C[6]H)	C[5,3x6](C[5,4x6]C[3,6,6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O){1|O<2>,5|C<4>,5|H<1>}	C[6](C[5,3x6]C[5,4x6]C[6,6]O[5])(O[6]C[6])(O){4|H<1>,5|C<4>}	O[5](C[5,3x6]C[5,4x6]C[6,6]C[6])(C[5,6]C[5,6,6]C[6]H){1|O<1>,1|O<2>,2|H<1>,8|C<4>}	103.1277	0.603	3	103.1277	0.363	3	103.7646	2.154	9	103.7646	2.154	9	103.7646	2.154	9	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,3x6]	C[6]	O[5]	4:4:2:3:	4:2:1:	4:4:	C[5,4x6]-4:C[6,6]-4:O[5]-2:C[6]-3:	C[5,3x6]-4:O[6]-2:O-1:	C[5,3x6]-4:C[5,6]-4:	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O)	C[6](C[5,3x6]C[5,4x6]C[6,6]O[5])(O[6]C[6])(O)	O[5](C[5,3x6]C[5,4x6]C[6,6]C[6])(C[5,6]C[5,6,6]C[6]H)	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6](C[5,3x6]C[5,4x6]C[6,6]O[5])(O[6]C[6])(O){2|C<3>,3|C<4>,4|H<1>}	O[5](C[5,3x6]C[5,4x6]C[6,6]C[6])(C[5,6]C[5,6,6]C[6]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>,5|C<4>}	104.4810	0.000	1	104.0830	2.936	6	103.7646	2.154	9	103.7646	2.154	9	103.7646	2.154	9	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,3x6]	C[6]	O[5]	4:4:2:3:	4:2:1:	4:4:	C[5,4x6]-4:C[6,6]-4:O[5]-2:C[6]-3:	C[5,3x6]-4:O[6]-2:O-1:	C[5,3x6]-4:C[5,6]-4:	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O)	C[6](C[5,3x6]C[5,4x6]C[6,6]O[5])(O[6]C[6])(O)	O[5](C[5,3x6]C[5,4x6]C[6,6]C[6])(C[5,6]C[5,6,6]C[6]H)	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[6](C[5,3x6]C[5,4x6]C[6,6]O[5])(O[6]C[6])(O){1|C<3>,4|C<4>,4|H<1>}	O[5](C[5,3x6]C[5,4x6]C[6,6]C[6])(C[5,6]C[5,6,6]C[6]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>,5|C<4>}	103.1550	0.000	1	104.0830	2.936	6	103.7646	2.154	9	103.7646	2.154	9	103.7646	2.154	9	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,3x6]	C[6]	O[5]	4:4:2:3:	4:2:1:	4:4:	C[5,4x6]-4:C[6,6]-4:O[5]-2:C[6]-3:	C[5,3x6]-4:O[6]-2:O-1:	C[5,3x6]-4:C[5,6]-4:	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O)	C[6](C[5,3x6]C[5,4x6]C[6,6]O[5])(O[6]C[6])(O)	O[5](C[5,3x6]C[5,4x6]C[6,6]C[6])(C[5,6]C[5,6,6]C[6]H)	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O){1|O<1>,4|H<1>,5|C<4>}	C[6](C[5,3x6]C[5,4x6]C[6,6]O[5])(O[6]C[6])(O){1|C<3>,4|C<4>,4|H<1>}	O[5](C[5,3x6]C[5,4x6]C[6,6]C[6])(C[5,6]C[5,6,6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,7|C<4>}	102.8780	0.000	1	104.0830	2.936	6	103.7646	2.154	9	103.7646	2.154	9	103.7646	2.154	9	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,3x6]	C[6]	O[5]	4:4:2:3:	4:2:1:	4:4:	C[5,4x6]-4:C[6,6]-4:O[5]-2:C[6]-3:	C[5,3x6]-4:O[6]-2:O-1:	C[5,3x6]-4:C[5,6]-4:	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O)	C[6](C[5,3x6]C[5,4x6]C[6,6]O[5])(O[6]C[6])(O)	O[5](C[5,3x6]C[5,4x6]C[6,6]C[6])(C[5,6]C[5,6,6]C[6]H)	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O){2|C<3>,3|C<4>,5|H<1>}	C[6](C[5,3x6]C[5,4x6]C[6,6]O[5])(O[6]C[6])(O){1|C<3>,4|C<4>,4|H<1>}	O[5](C[5,3x6]C[5,4x6]C[6,6]C[6])(C[5,6]C[5,6,6]C[6]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,6|C<4>}	103.3045	0.400	2	104.0830	2.936	6	103.7646	2.154	9	103.7646	2.154	9	103.7646	2.154	9	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,3x6]	C[6]	O[5]	4:4:2:3:	4:2:1:	4:4:	C[5,4x6]-4:C[6,6]-4:O[5]-2:C[6]-3:	C[5,3x6]-4:O[6]-2:O-1:	C[5,3x6]-4:C[5,6]-4:	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O)	C[6](C[5,3x6]C[5,4x6]C[6,6]O[5])(O[6]C[6])(O)	O[5](C[5,3x6]C[5,4x6]C[6,6]C[6])(C[5,6]C[5,6,6]C[6]H)	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O){2|C<3>,3|C<4>,6|H<1>}	C[6](C[5,3x6]C[5,4x6]C[6,6]O[5])(O[6]C[6])(O){4|H<1>,5|C<4>}	O[5](C[5,3x6]C[5,4x6]C[6,6]C[6])(C[5,6]C[5,6,6]C[6]H){1|C<3>,1|O<1>,2|H<1>,3|O<2>,5|C<4>}	107.3750	0.000	1	104.0830	2.936	6	103.7646	2.154	9	103.7646	2.154	9	103.7646	2.154	9	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,5,6,6]	C[6]	O[5,5]	4:2:2:3:	4:3:1:	4:4:	C[5,6,6]-4:O[5,5]-2:O[5,6]-2:C[6]-3:	C[5,5,6,6]-4:C[6]-3:H-1:	C[5,5,6,6]-4:C[3x5,6]-4:	C[5,5,6,6](C[5,6,6]C[5,5,6]C[6]C)(O[5,5]C[3x5,6])(O[5,6]C[5,5,6])(C[6]C[6]H)	C[6](C[5,5,6,6]C[5,6,6]O[5,5]O[5,6])(C[6]C[6]C)(H)	O[5,5](C[5,5,6,6]C[5,6,6]O[5,6]C[6])(C[3x5,6]C[5,5,6]2C)	C[5,5,6,6](C[5,6,6]C[5,5,6]C[6]C)(O[5,5]C[3x5,6])(O[5,6]C[5,5,6])(C[6]C[6]H){3|H<1>,6|C<4>}	C[6](C[5,5,6,6]C[5,6,6]O[5,5]O[5,6])(C[6]C[6]C)(H){2|H<1>,5|C<4>}	O[5,5](C[5,5,6,6]C[5,6,6]O[5,6]C[6])(C[3x5,6]C[5,5,6]2C){1|C<3>,2|H<1>,5|C<4>}	112.2365	0.479	2	112.2365	0.229	2	112.2365	0.229	2	112.2365	0.229	2	114.2317	12.057	3	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,5,6,6]	C[6]	O[5,5]	4:3:2:3:	4:3:1:	4:4:	C[4,5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6]-3:	C[5,5,6,6]-4:C[6]-3:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6,6](C[4,5,6,6]C[4,5,6]C[4,6a]C[6])(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6]C[6]H)	C[6](C[5,5,6,6]C[4,5,6,6]C[5,6,6a]O[5,5])(C[6]C[6]H)(H)	O[5,5](C[5,5,6,6]C[4,5,6,6]C[5,6,6a]C[6])(C[5,5,6]C[5,6,6a]C[4,5,6]H)	C[5,5,6,6](C[4,5,6,6]C[4,5,6]C[4,6a]C[6])(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6]C[6]H){5|C<3>,5|H<1>}	C[6](C[5,5,6,6]C[4,5,6,6]C[5,6,6a]O[5,5])(C[6]C[6]H)(H){1|H<1>,2|C<4>,4|C<3>}	O[5,5](C[5,5,6,6]C[4,5,6,6]C[5,6,6a]C[6])(C[5,5,6]C[5,6,6a]C[4,5,6]H){2|H<1>,6|C<3>}	118.2220	0.000	1	118.2220	0.000	1	118.2220	0.000	1	118.2220	0.000	1	114.2317	12.057	3	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,5,6,6]	C[6]	O[5,6]	4:2:2:3:	4:3:1:	4:4:	C[5,6,6]-4:O[5,5]-2:O[5,6]-2:C[6]-3:	C[5,5,6,6]-4:C[6]-3:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6,6](C[5,6,6]C[5,5,6]C[6]C)(O[5,5]C[3x5,6])(O[5,6]C[5,5,6])(C[6]C[6]H)	C[6](C[5,5,6,6]C[5,6,6]O[5,5]O[5,6])(C[6]C[6]C)(H)	O[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,5,6]C[3x5,6]C[5]H)	C[5,5,6,6](C[5,6,6]C[5,5,6]C[6]C)(O[5,5]C[3x5,6])(O[5,6]C[5,5,6])(C[6]C[6]H){3|H<1>,6|C<4>}	C[6](C[5,5,6,6]C[5,6,6]O[5,5]O[5,6])(C[6]C[6]C)(H){2|H<1>,5|C<4>}	O[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,5,6]C[3x5,6]C[5]H){1|C<3>,3|H<1>,5|C<4>}	110.9175	0.275	2	110.9175	0.076	2	110.9175	0.076	2	110.9175	0.076	2	110.9175	0.076	2	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,5,6]	C[6]	O[5]	4:2:4:3:	4:2:1:	4:4:	C[5,5,6,6]-4:O[5]-2:C[5]-4:C[6]-3:	C[5,5,6]-4:O[6]-2:O-1:	C[5,5,6]-4:C[5,6,6]-4:	C[5,5,6](C[5,5,6,6]C[5,6,6]C[6,6]C[5])(O[5]C[5,6,6])(C[5]O[5]CH)(C[6]O[6]O)	C[6](C[5,5,6]C[5,5,6,6]C[5]O[5])(O[6]C[6,6])(O)	O[5](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[5,6,6]C[5,6,6]C[6]2)	C[5,5,6](C[5,5,6,6]C[5,6,6]C[6,6]C[5])(O[5]C[5,6,6])(C[5]O[5]CH)(C[6]O[6]O){1|O<1>,2|C<3>,4|C<4>}	C[6](C[5,5,6]C[5,5,6,6]C[5]O[5])(O[6]C[6,6])(O){1|H<1>,1|O<2>,2|C<3>,5|C<4>}	O[5](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[5,6,6]C[5,6,6]C[6]2){1|O<1>,2|H<1>,3|C<3>,3|O<2>,5|C<4>}	102.3900	0.000	1	102.3900	0.000	1	102.3900	0.000	1	102.3900	0.000	1	106.6146	42.739	9	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,5,6]	C[6]	O[5]	4:3:2:3:	4:3:1:	4:4:	C[5,5]-4:N[5,6]-3:O[5]-2:C[6]-3:	C[5,5,6]-4:N[6]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5]C[6])(O[5]C[5,5,6])(C[6]N[6]O)	C[6](C[5,5,6]C[5,5]N[5,6]O[5])(N[6]C[6]H)(O)	O[5](C[5,5,6]C[5,5]N[5,6]C[6])2	C[5,5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5]C[6])(O[5]C[5,5,6])(C[6]N[6]O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,6|H<1>}	C[6](C[5,5,6]C[5,5]N[5,6]O[5])(N[6]C[6]H)(O){1|H<1>,2|C<3>,4|C<4>}	O[5](C[5,5,6]C[5,5]N[5,6]C[6])2{2|C<3>,2|H<1>,2|N<3>,2|O<1>,4|C<4>}	104.1940	0.000	1	104.1940	0.000	1	104.1940	0.000	1	104.1940	0.000	1	106.6146	42.739	9	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,5,6]	C[6]	O[5]	4:3:3:2:	4:4:1:	4:4:	C[5,5,6]-4:N[5]-3:C[6]-3:O[5]-2:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,5,6]-4:C[5]-4:	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C)(N[5]C[5,6a]H)(C[6]C[5,6]O)(O[5]C[5])	C[6](C[5,5,6]C[5,5,6]N[5]O[5])(C[5,6]C[5,6]N[5]H)(O)	O[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[5,6]HH)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C)(N[5]C[5,6a]H)(C[6]C[5,6]O)(O[5]C[5]){1|C<4>,1|N<4>,3|C<3>,3|H<1>}	C[6](C[5,5,6]C[5,5,6]N[5]O[5])(C[5,6]C[5,6]N[5]H)(O){2|H<1>,3|C<3>,6|C<4>}	O[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[5,6]HH){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	97.4419	0.000	2	97.4419	0.000	2	97.4419	0.000	2	97.4419	0.000	2	106.6146	42.739	9	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,5,6]	C[6]	O[5]	4:4:2:3:	4:3:1:	4:4:	C[5,5,6]-4:C[5,5]-4:O[5]-2:C[6]-3:	C[5,5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,5]-4:	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(C[6]C[6]H)	C[6](C[5,5,6]C[5,5,6]C[5,5]O[5])(C[6]C[6]H)(H)	O[5](C[5,5,6]C[5,5,6]C[5,5]C[6])(C[5,5]C[5,5]O[5]H)	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(C[6]C[6]H){1|O<1>,2|O<2>,3|C<4>,6|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5,5]O[5])(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	O[5](C[5,5,6]C[5,5,6]C[5,5]C[6])(C[5,5]C[5,5]O[5]H){2|C<3>,2|O<2>,3|C<4>,3|H<1>}	112.7240	0.329	4	112.7240	0.108	4	112.7240	0.108	4	112.7240	0.108	4	106.6146	42.739	9	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,5,6]	C[6]	O[5]	4:4:3:2:	4:3:1:	4:4:	C[5,6]-4:C[5,5]-4:C[6]-3:O[5]-2:	C[5,5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5]-4:	C[5,5,6](C[5,6]C[6]N[5]H)(C[5,5]C[5]2H)(C[6]C[6]H)(O[5]C[5])	C[6](C[5,5,6]C[5,5]C[5,6]O[5])(C[6]C[6]H)(H)	O[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]CH)	C[5,5,6](C[5,6]C[6]N[5]H)(C[5,5]C[5]2H)(C[6]C[6]H)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]O[5])(C[6]C[6]H)(H){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	O[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]CH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	107.1680	0.000	1	107.1680	0.000	1	107.1680	0.000	1	107.1680	0.000	1	106.6146	42.739	9	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	O[5]	3:2:4:2:	4:4:3:	4:4:	C[6,6]-3:O[5,6]-2:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6]-3:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[6,6]C[6,6]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5])	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	O[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]CC)	C[5,6,6](C[6,6]C[6,6]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5]){1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	O[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]CC){2|C<3>,2|C<4>,3|H<1>}	110.7320	0.051	2	110.7320	0.003	2	110.7813	0.009	3	110.7813	0.009	3	108.1936	5.389	19	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	O[5]	3:2:4:2:	4:4:3:	4:4:	C[6,6]-3:O[5,6]-2:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6]-3:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[6,6]C[6,6]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5])	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]O)(C[6]C[6]H)	O[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]CC)	C[5,6,6](C[6,6]C[6,6]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]O)(C[6]C[6]H){1|O<1>,4|H<1>,6|C<4>}	O[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]CC){2|C<3>,2|C<4>,3|H<1>}	110.8800	0.000	1	110.8800	0.000	1	110.7813	0.009	3	110.7813	0.009	3	108.1936	5.389	19	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	O[5]	4:3:2:2:	4:4:1:	4:4:	C[3x6]-4:C[6,6]-3:O[5]-2:O[5]-2:	C[4x6]-4:C[5,6,6]-4:O-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(O[5]C[5])2	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]O[5]2)(O)	O[5](C[5,6,6]C[3x6]C[6,6]O[5])(C[5]C[5]HH)	C[5,6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(O[5]C[5])2{1|Br<1>,1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]O[5]2)(O){3|C<3>,4|C<4>,4|H<1>}	O[5](C[5,6,6]C[3x6]C[6,6]O[5])(C[5]C[5]HH){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	108.7830	0.000	1	108.7830	0.000	1	108.7830	0.000	1	108.5067	11.648	6	108.1936	5.389	19	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	O[5]	4:3:2:2:	4:4:1:	4:4:	C[5,3x6]-4:C[6,6]-3:O[5]-2:O-2:	C[4x6]-4:C[5,6,6]-4:O-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]O)(O[5]C[5])(OC)	C[6,6](C[4x6]C[3x6]C[5,6]C[6,6])(C[5,6,6]C[5,3x6]O[5]O)(O)	O[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5]C[5,6,6]HH)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]O)(O[5]C[5])(OC){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[4x6]C[3x6]C[5,6]C[6,6])(C[5,6,6]C[5,3x6]O[5]O)(O){3|C<3>,3|H<1>,4|C<4>}	O[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5]C[5,6,6]HH){1|O<1>,2|H<1>,3|C<4>}	105.6410	0.000	1	105.6410	0.000	1	105.6410	0.000	1	108.5067	11.648	6	108.1936	5.389	19	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	O[5]	4:3:2:2:	4:4:1:	4:4:	C[5,3x6]-4:C[6,6]-3:O[5]-2:O-2:	C[5,6,6]-4:C[3x6]-4:O-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(O[5]C[5])(OC)	C[6,6](C[5,6,6]C[5,3x6]O[5]O)(C[3x6]C[6,6]2H)(O)	O[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5]C[5,6,6]HH)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(O[5]C[5])(OC){1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,3x6]O[5]O)(C[3x6]C[6,6]2H)(O){1|C<3>,2|C<4>,4|H<1>}	O[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5]C[5,6,6]HH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	105.8300	0.000	1	105.8300	0.000	1	105.8300	0.000	1	108.5067	11.648	6	108.1936	5.389	19	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	O[5]	4:3:2:2:	4:4:1:	4:4:	C[5,4x6]-4:C[6,6]-3:O[5]-2:O-2:	C[5,6,6]-4:C[3x6]-4:O-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[5,4x6]C[3x6]2C[5])(C[6,6]C[3x6]O)(O[5]C[5,6])(OH)	C[6,6](C[5,6,6]C[5,4x6]O[5]O)(C[3x6]C[6,6]2C)(O)	O[5](C[5,6,6]C[5,4x6]C[6,6]O)(C[5,6]C[5]C[6]2)	C[5,6,6](C[5,4x6]C[3x6]2C[5])(C[6,6]C[3x6]O)(O[5]C[5,6])(OH){2|C<3>,3|H<1>,6|C<4>}	C[6,6](C[5,6,6]C[5,4x6]O[5]O)(C[3x6]C[6,6]2C)(O){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	O[5](C[5,6,6]C[5,4x6]C[6,6]O)(C[5,6]C[5]C[6]2){1|O<1>,5|H<1>,6|C<4>}	113.1890	0.000	1	113.1890	0.000	1	113.1890	0.000	1	108.5067	11.648	6	108.1936	5.389	19	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	O[5]	4:3:2:2:	4:4:1:	4:4:	C[6,6]-4:C[6,6]-3:O[5]-2:O[5]-2:	C[5,6,6]-4:C[4,6,6]-4:O-1:	C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]O)(O[5]C[5,6,6])2	C[6,6](C[5,6,6]C[6,6]O[5]2)(C[4,6,6]C[4,6]2H)(O)	O[5](C[5,6,6]C[4,6,6]C[5,6,6]O)(C[5,6,6]C[6,6]2O[5])	C[5,6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]O)(O[5]C[5,6,6])2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[6,6]O[5]2)(C[4,6,6]C[4,6]2H)(O){4|H<1>,5|C<4>}	O[5](C[5,6,6]C[4,6,6]C[5,6,6]O)(C[5,6,6]C[6,6]2O[5]){1|O<1>,4|H<1>,5|C<4>}	112.0150	0.000	1	112.0150	0.000	1	108.7985	20.692	2	108.5067	11.648	6	108.1936	5.389	19	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	O[5]	4:3:2:2:	4:4:1:	4:4:	C[6,6]-4:C[6,6]-3:O[5]-2:O[5]-2:	C[5,6,6]-4:C[4,6,6]-4:O-1:	C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]O)(O[5]C[5,6,6])2	C[6,6](C[5,6,6]C[6,6]O[5]2)(C[4,6,6]C[4,6]2H)(O)	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6,6]C[6,6]2O[5])	C[5,6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]O)(O[5]C[5,6,6])2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[6,6]O[5]2)(C[4,6,6]C[4,6]2H)(O){4|H<1>,5|C<4>}	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6,6]C[6,6]2O[5]){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	105.5820	0.000	1	105.5820	0.000	1	108.7985	20.692	2	108.5067	11.648	6	108.1936	5.389	19	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	O[5]	4:3:2:4:	4:4:1:	4:4:	C[5,3x6]-4:C[6,6]-3:O[5]-2:C-4:	C[4x6]-4:C[5,6,6]-4:O-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]O)(O[5]C[5])(CCHH)	C[6,6](C[4x6]C[3x6]C[6,6]O[6])(C[5,6,6]C[5,3x6]O[5]C)(O)	O[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]CC)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]O)(O[5]C[5])(CCHH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[4x6]C[3x6]C[6,6]O[6])(C[5,6,6]C[5,3x6]O[5]C)(O){2|C<3>,3|C<4>,3|H<1>}	O[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]CC){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	105.5530	0.000	1	105.5530	0.000	1	105.5530	0.000	1	107.2295	0.975	10	108.1936	5.389	19	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	O[5]	4:3:2:4:	4:4:1:	4:4:	C[5,4x6]-4:C[6,6]-3:O[5]-2:C-4:	C[3x6]-4:C[5,6,6]-4:O-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,4x6]C[3,3x6]C[5,6,6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[5,6,6]C[5,4x6]O[5]C)(O)	O[5](C[5,6,6]C[5,4x6]C[6,6]C)(C[5]C[5,6,6]CC)	C[5,6,6](C[5,4x6]C[3,3x6]C[5,6,6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[5,6,6]C[5,4x6]O[5]C)(O){2|O<2>,3|C<4>,3|H<1>}	O[5](C[5,6,6]C[5,4x6]C[6,6]C)(C[5]C[5,6,6]CC){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	108.6020	0.290	2	108.6020	0.084	2	108.6020	0.084	2	107.2295	0.975	10	108.1936	5.389	19	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	O[5]	4:3:2:4:	4:4:1:	4:4:	C[5,4x6]-4:C[6,6]-3:O[5]-2:C-4:	C[5,6,6]-4:C[3x6]-4:O-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH)	C[6,6](C[5,6,6]C[5,4x6]O[5]C)(C[3x6]C[6,6]2H)(O)	O[5](C[5,6,6]C[5,4x6]C[6,6]C)(C[5]C[5,6,6]CC)	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH){2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,4x6]O[5]C)(C[3x6]C[6,6]2H)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O[5](C[5,6,6]C[5,4x6]C[6,6]C)(C[5]C[5,6,6]CC){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	106.5345	0.170	2	107.0675	0.388	6	107.0769	0.324	7	107.2295	0.975	10	108.1936	5.389	19	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	O[5]	4:3:2:4:	4:4:1:	4:4:	C[5,4x6]-4:C[6,6]-3:O[5]-2:C-4:	C[5,6,6]-4:C[3x6]-4:O-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH)	C[6,6](C[5,6,6]C[5,4x6]O[5]C)(C[3x6]C[6,6]2H)(O)	O[5](C[5,6,6]C[5,4x6]C[6,6]C)(C[5]C[5,6,6]CC)	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH){2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,4x6]O[5]C)(C[3x6]C[6,6]2H)(O){1|N<3>,1|O<2>,3|C<4>,3|H<1>}	O[5](C[5,6,6]C[5,4x6]C[6,6]C)(C[5]C[5,6,6]CC){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	106.4470	0.000	1	107.0675	0.388	6	107.0769	0.324	7	107.2295	0.975	10	108.1936	5.389	19	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	O[5]	4:3:2:4:	4:4:1:	4:4:	C[5,4x6]-4:C[6,6]-3:O[5]-2:C-4:	C[5,6,6]-4:C[3x6]-4:O-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH)	C[6,6](C[5,6,6]C[5,4x6]O[5]C)(C[3x6]C[6,6]2H)(O)	O[5](C[5,6,6]C[5,4x6]C[6,6]C)(C[5]C[5,6,6]CC)	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH){2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,4x6]O[5]C)(C[3x6]C[6,6]2H)(O){2|O<2>,3|C<4>,3|H<1>}	O[5](C[5,6,6]C[5,4x6]C[6,6]C)(C[5]C[5,6,6]CC){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	107.6425	0.101	2	107.0675	0.388	6	107.0769	0.324	7	107.2295	0.975	10	108.1936	5.389	19	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	O[5]	4:3:2:4:	4:4:1:	4:4:	C[5,4x6]-4:C[6,6]-3:O[5]-2:C-4:	C[5,6,6]-4:C[3x6]-4:O-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH)	C[6,6](C[5,6,6]C[5,4x6]O[5]C)(C[3x6]C[6,6]2H)(O)	O[5](C[5,6,6]C[5,4x6]C[6,6]C)(C[5]C[5,6,6]CC)	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH){2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[5,6,6]C[5,4x6]O[5]C)(C[3x6]C[6,6]2H)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O[5](C[5,6,6]C[5,4x6]C[6,6]C)(C[5]C[5,6,6]CC){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	107.6040	0.000	1	107.0675	0.388	6	107.0769	0.324	7	107.2295	0.975	10	108.1936	5.389	19	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	O[5]	4:3:2:4:	4:4:1:	4:4:	C[5,4x6]-4:C[6,6]-3:O[5]-2:C-4:	C[5,6,6]-4:C[3x6]-4:O-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH)	C[6,6](C[5,6,6]C[5,4x6]O[5]C)(C[3x6]C[6,6]2O)(O)	O[5](C[5,6,6]C[5,4x6]C[6,6]C)(C[5]C[5,6,6]CC)	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6,6](C[5,6,6]C[5,4x6]O[5]C)(C[3x6]C[6,6]2O)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O[5](C[5,6,6]C[5,4x6]C[6,6]C)(C[5]C[5,6,6]CC){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	107.1330	0.000	1	107.1330	0.000	1	107.0769	0.324	7	107.2295	0.975	10	108.1936	5.389	19	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6,6]	C[6]	O[5,6]	4:2:3:3:	4:3:1:	4:4:	C[5,5,6]-4:O[5,6]-2:C[6]-3:C[6]-3:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]H)2	C[6](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6]C[6]C)(H)	O[5,6](C[5,6,6]C[5,5,6]C[6]2)(C[5,6]C[5,5]C[6]H)	C[5,6,6](C[5,5,6]C[5,5]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]H)2{1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6]C[6]C)(H){2|C<3>,3|C<4>,3|H<1>}	O[5,6](C[5,6,6]C[5,5,6]C[6]2)(C[5,6]C[5,5]C[6]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	109.4245	0.235	2	109.2823	0.088	3	109.2823	0.088	3	109.2823	0.088	3	110.6111	3.734	9	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6,6]	C[6]	O[5,6]	4:2:3:3:	4:3:1:	4:4:	C[5,5,6]-4:O[5,6]-2:C[6]-3:C[6]-3:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]H)2	C[6](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6]C[6]C)(H)	O[5,6](C[5,6,6]C[5,5,6]C[6]2)(C[5,6]C[5,5]C[6]H)	C[5,6,6](C[5,5,6]C[5,5]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]H)2{1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C[6](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6]C[6]C)(H){2|C<3>,3|C<4>,3|H<1>}	O[5,6](C[5,6,6]C[5,5,6]C[6]2)(C[5,6]C[5,5]C[6]H){2|C<4>,3|C<3>,5|H<1>}	108.9980	0.000	1	109.2823	0.088	3	109.2823	0.088	3	109.2823	0.088	3	110.6111	3.734	9	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6,6]	C[6]	O[5,6]	4:2:3:3:	4:4:3:	4:4:	C[5,5,6]-4:O[5,6]-2:C[6]-3:C[6]-3:	C[5,6,6]-4:C[6]-4:C-3:	C[5,5,6,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(O[5,6]C[5,5,6,6])(C[6]C[6]C)2	C[6](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6]C[6]HH)(CC[6a]H)	O[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6,6]C[5,5,6]C[6]2)	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(O[5,6]C[5,5,6,6])(C[6]C[6]C)2{1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6]C[6]HH)(CC[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6,6]C[5,5,6]C[6]2){3|C<3>,3|H<1>,5|C<4>}	111.7900	1.274	2	111.7900	1.624	2	111.7900	1.624	2	111.8550	0.552	4	110.6111	3.734	9	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6,6]	C[6]	O[5,6]	4:2:3:3:	4:4:3:	4:4:	C[5,5,6]-4:O[5,6]-2:C[6]-3:C[6]-3:	C[5,6,6]-4:C[6]-4:C-3:	C[5,5,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(O[5,6]C[5,5,6])(C[6]C[6]C)2	C[6](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6]C[6]HH)(CC[6a]H)	O[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6,6]C[5,5,6]C[6]2)	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(O[5,6]C[5,5,6])(C[6]C[6]C)2{1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6]C[6]HH)(CC[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6,6]C[5,5,6]C[6]2){1|H<1>,3|C<3>,4|C<4>}	111.9200	0.120	2	111.9200	0.014	2	111.9200	0.014	2	111.8550	0.552	4	110.6111	3.734	9	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6,6]	C[6]	O[5,6]	4:2:4:3:	4:4:3:	4:4:	C[6,6]-4:O[5,6]-2:C[5]-4:C[6]-3:	C[5,6,6]-4:C[6]-4:C-3:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[6,6]C[6]2C)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]C)	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(CHH)	O[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]O)	C[5,6,6](C[6,6]C[6]2C)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]C){2|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(CHH){4|H<1>,5|C<4>}	O[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]O){1|C<3>,4|H<1>,6|C<4>}	107.2820	0.000	1	107.2820	0.000	1	107.2820	0.000	1	107.2820	0.000	1	110.6111	3.734	9	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6,6]	C[6]	O[5,6]	4:3:2:3:	4:4:3:	4:4:	C[5,5,6]-4:C[6,6a]-3:O[5,6]-2:C[6]-3:	C[5,6,6]-4:C[6]-4:C-3:	C[5,6,6]-4:C[3x5,6]-4:	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[6,6a]C[6,6a]C[6a])(O[5,6]C[3x5,6])(C[6]C[6]C)	C[6](C[5,6,6]C[5,5,6]C[6,6a]O[5,6])(C[6]C[6]HH)(CC[6a]H)	O[5,6](C[5,6,6]C[5,5,6]C[6,6a]C[6])(C[3x5,6]C[5,5,6]O[5,5]C[5])	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[6,6a]C[6,6a]C[6a])(O[5,6]C[3x5,6])(C[6]C[6]C){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,5,6]C[6,6a]O[5,6])(C[6]C[6]HH)(CC[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O[5,6](C[5,6,6]C[5,5,6]C[6,6a]C[6])(C[3x5,6]C[5,5,6]O[5,5]C[5]){3|H<1>,4|C<3>,4|C<4>}	112.9510	0.000	1	112.9510	0.000	1	112.9510	0.000	1	112.9510	0.000	1	110.6111	3.734	9	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6,6]	C[6]	O[5]	3:4:3:2:	4:3:1:	4:4:	C[5,6,6]-3:C[6]-4:C[6]-3:O[5]-2:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,6,6]C[5,6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(O[5]C[5])	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]C)(H)	O[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5,6,6]HH)	C[5,6,6](C[5,6,6]C[5,6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(O[5]C[5]){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]C)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	O[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5,6,6]HH){2|C<3>,3|C<4>,3|H<1>}	109.3800	0.000	1	109.3800	0.000	1	109.3800	0.000	1	109.3800	0.000	1	107.8750	11.238	7	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6,6]	C[6]	O[5]	4:4:2:3:	4:3:1:	4:4:	C[5,3x6]-4:C[6]-4:O[5]-2:C[6]-3:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[5,3x6]C[5,6]C[6,6]C[6])(C[6]C[6]HH)(O[5]C[5,6])(C[6]C[6]H)	C[6](C[5,6,6]C[5,3x6]C[6]O[5])(C[6]O[6]H)(H)	O[5](C[5,6,6]C[5,3x6]C[6]2)(C[5,6]C[5,6]O[6]H)	C[5,6,6](C[5,3x6]C[5,6]C[6,6]C[6])(C[6]C[6]HH)(O[5]C[5,6])(C[6]C[6]H){1|C<3>,2|C<4>,2|O<2>,8|H<1>}	C[6](C[5,6,6]C[5,3x6]C[6]O[5])(C[6]O[6]H)(H){2|H<1>,5|C<4>}	O[5](C[5,6,6]C[5,3x6]C[6]2)(C[5,6]C[5,6]O[6]H){1|C<3>,4|C<4>,5|H<1>}	111.8950	0.000	1	111.8950	0.000	1	111.8950	0.000	1	111.8950	0.000	1	107.8750	11.238	7	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6,6]	C[6]	O[5]	4:4:2:3:	4:3:3:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:C[6]-3:	C[5,6,6]-4:C[6]-3:C-3:	C[5,6,6]-4:C[5,5]-4:	C[5,6,6](C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]CH)(O[5]C[5,5])(C[6]C[6]C)	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[5,6]H)(CCH)	O[5](C[5,6,6]C[5,6,6]C[6]2)(C[5,5]C[5,5,6]O[5]H)	C[5,6,6](C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]CH)(O[5]C[5,5])(C[6]C[6]C){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[5,6]H)(CCH){2|C<3>,3|H<1>,4|C<4>}	O[5](C[5,6,6]C[5,6,6]C[6]2)(C[5,5]C[5,5,6]O[5]H){2|H<1>,4|C<3>,4|C<4>}	110.2225	0.643	2	110.2225	0.413	2	110.2225	0.413	2	110.2225	0.413	2	107.8750	11.238	7	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6,6]	C[6]	O[5]	4:4:2:3:	4:4:3:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:C[6]-3:	C[5,6,6]-4:C[6,6]-4:C-3:	C[5,5,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]C)(C[6]C[6,6]HO)(O[5]C[5,5,6])(C[6]C[6,6]C)	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6]3)(CHH)	O[5](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[5,6,6]C[5,6,6]C[6]2)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]C)(C[6]C[6,6]HO)(O[5]C[5,5,6])(C[6]C[6,6]C){1|H<1>,2|O<2>,3|C<3>,5|C<4>}	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6]3)(CHH){2|O<2>,5|H<1>,8|C<4>}	O[5](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[5,6,6]C[5,6,6]C[6]2){1|O<1>,2|H<1>,3|C<3>,3|O<2>,5|C<4>}	105.8160	0.000	1	105.8160	0.000	1	105.8160	0.000	1	105.8160	0.000	1	107.8750	11.238	7	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6,6]	C[6]	O[5]	4:4:3:2:	4:3:1:	4:2:	C[5,6,6]-4:C[6,6]-4:C[6]-3:O[5]-2:	C[5,6,6]-4:C[6]-3:O-1:	C[5,6,6]-4:O[5]-2:	C[5,6,6](C[5,6,6]C[5,6]C[6,6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(O[5]O[5])	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6,6]H)(O)	O[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])	C[5,6,6](C[5,6,6]C[5,6]C[6,6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(O[5]O[5]){2|C<3>,4|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6,6]H)(O){1|O<2>,7|C<4>}	O[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6]){1|H<1>,1|O<1>,2|C<3>,5|C<4>}	103.7945	0.165	2	103.7945	0.027	2	103.7945	0.027	2	103.7945	0.027	2	107.8750	11.238	7	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6,6]	O[5]	3:2:2:4:	4:4:2:	4:2:	C[6,6]-3:O[5,6]-2:O[5]-2:C-4:	C[5,6]-4:C[6,6]-4:N[6]-2:	C[5,6]-4:O[5]-2:	C[5,6](C[6,6]C[6,6]N[6])(O[5,6]C[5,6])(O[5]O[5])(CH3)	C[6,6](C[5,6]O[5,6]O[5]C)(C[6,6]C[6a]C[6]2)(N[6]C[6,6a])	O[5](C[5,6]C[6,6]O[5,6]C)(O[5]C[5,6])	C[5,6](C[6,6]C[6,6]N[6])(O[5,6]C[5,6])(O[5]O[5])(CH3){2|C<3>,3|C<4>}	C[6,6](C[5,6]O[5,6]O[5]C)(C[6,6]C[6a]C[6]2)(N[6]C[6,6a]){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	O[5](C[5,6]C[6,6]O[5,6]C)(O[5]C[5,6]){1|N<2>,3|C<4>}	109.1670	0.000	1	109.1670	0.000	1	109.1670	0.000	1	109.1670	0.000	1	109.9611	4.117	21	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6,6]	O[5]	3:4:2:1:	4:3:2:	4:4:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-3:O[6]-2:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]O[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6])(O[6]C[6,6])	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC)	C[5,6](C[6,6]C[6,6]O[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6])(O[6]C[6,6]){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	112.5515	0.653	2	112.5515	0.426	2	112.5515	0.426	2	112.5515	0.426	2	109.9611	4.117	21	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6,6]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-3:N[6]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]N[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2)(N[6]C[6]O)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC)	C[5,6](C[6,6]C[6,6]N[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2)(N[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	108.1370	0.710	2	108.1370	0.504	2	108.1370	0.504	2	108.1370	0.504	2	109.9611	4.117	21	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6,6]	O[5]	3:4:2:1:	4:4:3:	4:4:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[4x6]C[6]H)(C[6]C[5,6]H)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(O[5]C[5])(H){1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[4x6]C[6]H)(C[6]C[5,6]H){1|O<2>,3|H<1>,7|C<4>}	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	111.4850	0.000	1	111.4850	0.000	1	109.9414	4.821	5	109.9414	4.821	5	109.9611	4.117	21	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6,6]	O[5]	3:4:2:1:	4:4:3:	4:4:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(O[5]C[5])(H){1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){4|H<1>,7|C<4>}	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	112.1370	0.000	1	109.1500	7.166	3	109.9414	4.821	5	109.9414	4.821	5	109.9611	4.117	21	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6,6]	O[5]	3:4:2:1:	4:4:3:	4:4:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(O[5]C[5])(H){3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){4|H<1>,7|C<4>}	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH){1|C<3>,2|H<1>,3|C<4>}	107.6565	0.974	2	109.1500	7.166	3	109.9414	4.821	5	109.9414	4.821	5	109.9611	4.117	21	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6,6]	O[5]	3:4:2:1:	4:4:3:	4:4:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]H)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<2>,1|O<2>,4|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]H){1|O<2>,4|C<4>,6|H<1>}	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	110.7720	0.000	1	110.7720	0.000	1	109.9414	4.821	5	109.9414	4.821	5	109.9611	4.117	21	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6,6]	O[5]	3:4:2:2:	4:3:3:	4:4:	C[6,6]-3:C[5]-4:O[6]-2:O[5]-2:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5]C[5]CO)(O[6]N[5,6])(O[5]C[5])	C[6,6](C[5,6]C[5]O[5]O[6])(C[6,6]C[5,6]C[6])(C[6]C[6]H)	O[5](C[5,6]C[6,6]C[5]O[6])(C[5]C[5]HH)	C[5,6](C[6,6]C[6,6]C[6])(C[5]C[5]CO)(O[6]N[5,6])(O[5]C[5]){2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[5,6]C[5]O[5]O[6])(C[6,6]C[5,6]C[6])(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,3|C<4>}	O[5](C[5,6]C[6,6]C[5]O[6])(C[5]C[5]HH){1|N<3>,1|O<2>,2|C<3>,3|C<4>}	107.6540	0.000	1	106.8805	1.197	2	106.8805	1.197	2	106.8805	1.197	2	109.9611	4.117	21	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6,6]	O[5]	3:4:2:2:	4:3:3:	4:4:	C[6,6]-3:C[5]-4:O[6]-2:O[5]-2:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5]C[5]CO)(O[6]N[5,6])(O[5]C[5])	C[6,6](C[5,6]C[5]O[5]O[6])(C[6,6]C[5,6]C[6])(C[6]C[6]H)	O[5](C[5,6]C[6,6]C[5]O[6])(C[5]C[5]HH)	C[5,6](C[6,6]C[6,6]C[6])(C[5]C[5]CO)(O[6]N[5,6])(O[5]C[5]){2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[5,6]C[5]O[5]O[6])(C[6,6]C[5,6]C[6])(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,1|S<2>,2|O<1>,3|C<4>}	O[5](C[5,6]C[6,6]C[5]O[6])(C[5]C[5]HH){1|N<3>,1|O<1>,2|C<3>,3|C<4>}	106.1070	0.000	1	106.8805	1.197	2	106.8805	1.197	2	106.8805	1.197	2	109.9611	4.117	21	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6,6]	O[5]	3:4:2:2:	4:4:3:	4:4:	C[6,6]-3:C[6]-4:O[5]-2:S[5]-2:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[5]C[5])(S[5]C[5])	C[6,6](C[5,6]C[6]O[5]S[5])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)	O[5](C[5,6]C[6,6]C[6]S[5])(C[5]C[5]HH)	C[5,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[5]C[5])(S[5]C[5]){3|C<4>,8|H<1>}	C[6,6](C[5,6]C[6]O[5]S[5])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H){1|C<3>,4|C<4>,7|H<1>}	O[5](C[5,6]C[6,6]C[6]S[5])(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	111.9470	0.000	1	111.9470	0.000	1	110.6407	1.282	3	110.6407	1.282	3	109.9611	4.117	21	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6,6]	O[5]	3:4:2:2:	4:4:3:	4:4:	C[6,6]-3:C[6]-4:O[5]-2:S[5]-2:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[5]C[5])(S[5]C[5])	C[6,6](C[5,6]C[6]O[5]S[5])(C[6,6]C[6]2H)(C[6]C[6]H)	O[5](C[5,6]C[6,6]C[6]S[5])(C[5]C[5]HH)	C[5,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[5]C[5])(S[5]C[5]){1|C<3>,2|C<4>,8|H<1>}	C[6,6](C[5,6]C[6]O[5]S[5])(C[6,6]C[6]2H)(C[6]C[6]H){2|C<3>,3|C<4>,6|H<1>}	O[5](C[5,6]C[6,6]C[6]S[5])(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	110.0380	0.000	1	110.0380	0.000	1	110.6407	1.282	3	110.6407	1.282	3	109.9611	4.117	21	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6,6]	O[5]	3:4:2:2:	4:4:3:	4:4:	C[6,6]-3:C[6]-4:O[5]-2:S[5]-2:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[5]C[5])(S[5]C[5])	C[6,6](C[5,6]C[6]O[5]S[5])(C[6,6]N[5a,6]C[6]H)(C[6]C[6]H)	O[5](C[5,6]C[6,6]C[6]S[5])(C[5]C[5]HH)	C[5,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[5]C[5])(S[5]C[5]){1|N<3>,2|C<4>,8|H<1>}	C[6,6](C[5,6]C[6]O[5]S[5])(C[6,6]N[5a,6]C[6]H)(C[6]C[6]H){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	O[5](C[5,6]C[6,6]C[6]S[5])(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	109.9370	0.000	1	109.9370	0.000	1	110.6407	1.282	3	110.6407	1.282	3	109.9611	4.117	21	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6,6]	O[5]	3:4:3:2:	4:3:2:	4:4:	C[6,6]-3:C[5]-4:C[6]-3:O[5]-2:	C[5,6]-4:C[6,6]-3:O[6]-2:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]O[6])(C[5]C[5]HH)(C[6]C[6]H)(O[5]C[5])	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2)(O[6]C[5,6])	O[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]CC)	C[5,6](C[6,6]C[6,6]O[6])(C[5]C[5]HH)(C[6]C[6]H)(O[5]C[5]){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2)(O[6]C[5,6]){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	O[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]CC){2|C<3>,2|O<2>,4|H<1>}	108.3450	0.000	1	108.3450	0.000	1	108.3450	0.000	1	108.3450	0.000	1	109.9611	4.117	21	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6,6]	O[5]	4:3:2:1:	3:4:4:	4:4:	C[5,6]-4:C[6,6]-3:O[5]-2:H-1:	C[6,6]-3:C[5,6]-4:C[6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,3x6]HH)(C[6,6]C[6,6]C[6])(O[5]C[5,6])(H)	C[6,6](C[6,6]C[5a,6]C[6,6])(C[5,6]C[5,6]O[5]H)(C[6]C[6,6a]CC)	O[5](C[5,6]C[5,3x6]C[6]H)(C[5,6]C[5,6]C[6,6]H)	C[5,6](C[5,6]C[5,3x6]HH)(C[6,6]C[6,6]C[6])(O[5]C[5,6])(H){1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[6,6]C[5a,6]C[6,6])(C[5,6]C[5,6]O[5]H)(C[6]C[6,6a]CC){3|C<3>,3|C<4>,3|H<1>}	O[5](C[5,6]C[5,3x6]C[6]H)(C[5,6]C[5,6]C[6,6]H){1|C<3>,4|C<4>,4|H<1>}	109.3600	0.000	1	109.3600	0.000	1	109.3500	0.000	2	109.3500	0.000	2	109.9611	4.117	21	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6,6]	O[5]	4:3:2:1:	3:4:4:	4:4:	C[5,6]-4:C[6,6]-3:O[5]-2:H-1:	C[6,6]-3:C[5,6]-4:C[6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,5,6,6]HH)(C[6,6]C[6,6]C[6])(O[5]C[5,6])(H)	C[6,6](C[6,6]C[5,6,6]C[6])(C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)	O[5](C[5,6]C[5,5,6,6]C[6]O)(C[5,6]C[5,6]C[6,6]H)	C[5,6](C[5,6]C[5,5,6,6]HH)(C[6,6]C[6,6]C[6])(O[5]C[5,6])(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6])(C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	O[5](C[5,6]C[5,5,6,6]C[6]O)(C[5,6]C[5,6]C[6,6]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	109.3400	0.000	1	109.3400	0.000	1	109.3500	0.000	2	109.3500	0.000	2	109.9611	4.117	21	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6,6]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5,6,6]-4:C[6,6]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]C[6])(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6]2)(C[6]C[6]O)	O[5](C[5,6]C[5,6,6]C[6,6]H)(C[5]C[5,6]HH)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]C[6])(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6]2)(C[6]C[6]O){1|O<2>,4|C<4>,6|H<1>}	O[5](C[5,6]C[5,6,6]C[6,6]H)(C[5]C[5,6]HH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	112.2500	0.000	1	112.0683	0.310	3	112.0683	0.310	3	112.0683	0.310	3	109.9611	4.117	21	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6,6]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5,6,6]-4:C[6,6]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]C[6])(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6]2)(C[6]C[6]O)	O[5](C[5,6]C[5,6,6]C[6,6]H)(C[5]C[5,6]HH)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]C[6])(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6]2)(C[6]C[6]O){1|O<2>,4|C<4>,6|H<1>}	O[5](C[5,6]C[5,6,6]C[6,6]H)(C[5]C[5,6]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	111.4430	0.000	1	112.0683	0.310	3	112.0683	0.310	3	112.0683	0.310	3	109.9611	4.117	21	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6,6]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5,6,6]-4:C[6,6]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]C[6])(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6]2)(C[6]C[6]O)	O[5](C[5,6]C[5,6,6]C[6,6]H)(C[5]C[5,6]HH)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]C[6])(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6]2)(C[6]C[6]O){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	O[5](C[5,6]C[5,6,6]C[6,6]H)(C[5]C[5,6]HH){1|C<4>,1|H<1>,3|C<3>}	112.5120	0.000	1	112.0683	0.310	3	112.0683	0.310	3	112.0683	0.310	3	109.9611	4.117	21	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	2:3:2:1:	4:3:1:	4:4:	O[5,6]-2:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]H)(O[5]C[5])(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6a]C[6])(H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](O[5,6]C[5,6])(C[6]C[6]H)(O[5]C[5])(H){2|C<3>,3|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6a]C[6])(H){1|C<3>,1|N<2>,1|O<1>,2|C<4>}	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){2|C<3>,2|H<1>}	110.6540	0.000	1	109.9150	0.660	3	109.9150	0.660	3	107.9501	1.655	18	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	2:3:2:1:	4:3:1:	4:4:	O[5,6]-2:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]H)(O[5]C[5])(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6a]C[6])(H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](O[5,6]C[5,6])(C[6]C[6]H)(O[5]C[5])(H){2|C<3>,3|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6a]C[6])(H){1|O<1>,2|C<3>,2|C<4>}	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){2|C<3>,2|H<1>}	109.5455	0.708	2	109.9150	0.660	3	109.9150	0.660	3	107.9501	1.655	18	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	2:3:2:1:	4:3:1:	4:4:	O[5,6]-2:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]O)(O[5]C[5])(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]C)(O)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](O[5,6]C[5,6])(C[6]C[6]O)(O[5]C[5])(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]C)(O){2|C<4>,2|H<1>}	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	107.6965	0.888	13	107.6965	0.789	13	107.5571	0.923	15	107.9501	1.655	18	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	2:3:2:1:	4:3:1:	4:4:	O[5,6]-2:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]O)(O[5]C[5])(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6a]C[6])(O)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](O[5,6]C[5,6])(C[6]C[6]O)(O[5]C[5])(H){2|C<3>,3|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6a]C[6])(O){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|H<1>,1|O<1>,2|C<3>}	106.6510	1.247	2	106.6510	1.556	2	107.5571	0.923	15	107.9501	1.655	18	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	2:3:2:1:	4:4:1:	4:4:	O[5,6]-2:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[5]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[5,6]O)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]O[5,6]O[5]H)(O)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](O[5,6]C[5,6])(C[6]C[5,6]O)(O[5]C[5])(H){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]O[5,6]O[5]H)(O){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|H<1>,1|O<1>,2|C<4>}	109.0030	0.000	1	109.0030	0.000	1	109.0030	0.000	1	109.2110	0.087	2	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	2:3:2:1:	4:4:1:	4:4:	O[5,6]-2:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]O)(O[5]C[5])(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(O)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](O[5,6]C[5,6])(C[6]C[6]O)(O[5]C[5])(H){1|C<4>,5|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<4>}	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|H<1>,1|O<1>,2|C<4>}	109.4190	0.000	1	109.4190	0.000	1	109.4190	0.000	1	109.2110	0.087	2	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	2:3:2:1:	4:4:2:	4:4:	O[5,6]-2:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-4:N-2:	C[5,6]-4:C[5]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]N)(O[5]C[5])(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(NO)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](O[5,6]C[5,6])(C[6]C[6]N)(O[5]C[5])(H){1|C<4>,5|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(NO){2|C<4>,2|H<1>}	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|H<1>,1|N<2>,2|C<4>}	109.1354	0.880	13	109.1354	0.775	13	109.1354	0.775	13	109.1354	0.775	13	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	3:2:2:1:	3:4:1:	4:4:	C[6]-3:O[5,6]-2:O[5]-2:H-1:	C[5a,6]-3:C[5,6]-4:O-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[5a,6]O)(O[5,6]C[5,6])(O[5]C[5])(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]O[5,6]O[5]H)(O)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](C[6]C[5a,6]O)(O[5,6]C[5,6])(O[5]C[5])(H){2|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]O[5,6]O[5]H)(O){1|N<3>,2|C<3>,2|C<4>}	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|H<1>,1|O<1>,2|C<3>}	106.9220	0.989	2	106.9220	0.977	2	106.9220	0.977	2	106.9220	0.977	2	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	3:2:2:3:	3:4:1:	4:4:	C[6]-3:O[5]-2:O[5]-2:N[6]-3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:C[3,5]-4:	C[5,6](C[6]C[6,6a]O)(O[5]C[3,5])2(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[6]O[5]2)(O)	O[5](C[5,6]C[6]N[6]O[5])(C[3,5]C[3,5]C[3]2)	C[5,6](C[6]C[6,6a]O)(O[5]C[3,5])2(N[6]C[6]C){1|O<1>,2|C<3>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[6]O[5]2)(O){1|H<1>,3|C<3>,3|C<4>}	O[5](C[5,6]C[6]N[6]O[5])(C[3,5]C[3,5]C[3]2){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	108.1410	0.602	2	108.1410	0.363	2	108.1410	0.363	2	108.1410	0.363	2	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	3:2:3:2:	4:3:1:	4:4:	C[5,6a]-3:O[6]-2:C[6]-3:O[5]-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]H)(O[5]C[5])	C[6](C[5,6]C[5,6a]O[5]O[6])(C[6]C[6,6a]H)(H)	O[5](C[5,6]C[5,6a]C[6]O[6])(C[5]C[5,6a]CC)	C[5,6](C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]H)(O[5]C[5]){2|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]O[5]O[6])(C[6]C[6,6a]H)(H){1|C<4>,4|C<3>}	O[5](C[5,6]C[5,6a]C[6]O[6])(C[5]C[5,6a]CC){1|H<1>,4|C<3>}	108.3170	0.187	3	108.3170	0.035	3	108.3170	0.035	3	108.3170	0.035	3	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	3:3:2:2:	4:3:1:	4:4:	C[6]-3:C[6]-3:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]H)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]H)(H)	O[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5]H)	C[5,6](C[6]C[6]H)2(O[5]C[5])2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	O[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5]H){3|H<1>,5|C<3>}	109.4273	0.690	4	109.4273	0.476	4	109.4882	0.992	8	109.4882	0.992	8	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	3:3:2:2:	4:3:1:	4:4:	C[6]-3:C[6]-3:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6a]C[6])(C[6]C[6]H)(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]C[6a])(H)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6a]C[6])(C[6]C[6]H)(O[5]C[5])2{1|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]C[6a])(H){2|C<4>,2|O<2>,4|C<3>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){3|C<3>,3|H<1>}	109.5493	1.352	4	109.5493	1.829	4	109.4882	0.992	8	109.4882	0.992	8	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	3:3:2:2:	4:3:3:	4:4:	C[5,6a]-3:C[6]-3:O[5]-2:O[6]-2:	C[5,6]-4:C[6,6a]-3:C-3:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C)(O[5]C[5])(O[6]C[6])	C[6](C[5,6]C[5,6a]O[5]O[6])(C[6,6a]C[6,6a]C[6a])(CHH)	O[5](C[5,6]C[5,6a]C[6]O[6])(C[5]C[5,6a]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C)(O[5]C[5])(O[6]C[6]){4|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]O[5]O[6])(C[6,6a]C[6,6a]C[6a])(CHH){1|H<1>,2|C<4>,4|C<3>}	O[5](C[5,6]C[5,6a]C[6]O[6])(C[5]C[5,6a]HH){1|C<4>,4|C<3>}	108.5390	0.000	1	108.5390	0.000	1	108.5390	0.000	1	109.6953	2.135	9	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	3:3:2:2:	4:3:3:	4:4:	C[6]-3:C[6]-3:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6a]C[6])(C[6]C[6]H)(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]H)(C[6a]C[6a]2)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6a]C[6])(C[6]C[6]H)(O[5]C[5])2{1|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]H)(C[6a]C[6a]2){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){3|C<3>,3|H<1>}	109.1068	1.770	4	109.1068	3.133	4	109.1068	3.133	4	109.6953	2.135	9	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	3:3:2:2:	4:3:3:	4:4:	C[6]-3:C[6]-3:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-3:N-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]N)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]H)(NOO)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)	C[5,6](C[6]C[6]N)2(O[5]C[5])2{1|C<3>,1|C<4>,5|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]H)(NOO){1|C<3>,2|C<4>,2|N<3>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH){2|C<3>,2|H<1>,2|N<3>}	109.9035	0.264	2	109.9035	0.070	2	110.5730	0.627	4	109.6953	2.135	9	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	3:3:2:2:	4:3:3:	4:4:	C[6]-3:C[6]-3:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-3:N-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]N)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]H)(NOO)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]N)2(O[5]C[5])2{1|C<3>,1|C<4>,5|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]H)(NOO){1|C<3>,2|C<4>,2|N<3>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	111.2425	0.136	2	111.2425	0.019	2	110.5730	0.627	4	109.6953	2.135	9	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	3:3:2:4:	4:3:1:	4:4:	C[5,6]-3:C[6]-3:O[5]-2:C-4:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:P[5]-4:	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(O[5]P[5])(CC3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]C)(H)	O[5](C[5,6]C[5,6]C[6]C)(P[5]N[5]ClO)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(O[5]P[5])(CC3){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<2>,1|P<4>}	O[5](C[5,6]C[5,6]C[6]C)(P[5]N[5]ClO){1|H<1>,2|C<3>}	109.7930	0.000	1	109.7930	0.000	1	109.7930	0.000	1	110.1200	0.214	2	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	3:3:2:4:	4:3:1:	4:4:	C[6,6a]-3:C[6]-3:O[5]-2:P[5]-4:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,6]-4:B[5,5a]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[5]B[5,5a])(P[5]O[5]CC)	C[6](C[5,6]C[6,6a]O[5]P[5])(C[6,6a]C[6,6a]C[6a])(O)	O[5](C[5,6]C[6,6a]C[6]P[5])(B[5,5a]O[5a]2O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[5]B[5,5a])(P[5]O[5]CC){1|H<1>,2|O<2>,4|C<3>}	C[6](C[5,6]C[6,6a]O[5]P[5])(C[6,6a]C[6,6a]C[6a])(O){1|B<4>,1|H<1>,1|O<2>,2|C<4>,4|C<3>}	O[5](C[5,6]C[6,6a]C[6]P[5])(B[5,5a]O[5a]2O[5]){1|O<1>,2|C<4>,5|C<3>}	110.4470	0.000	1	110.4470	0.000	1	110.4470	0.000	1	110.1200	0.214	2	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	3:3:3:2:	4:3:1:	4:4:	C[6]-3:C[6]-3:N[5]-3:O[5]-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]H)2(N[5]C[5]S)(O[5]C[5])	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]H)(H)	O[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]H)2(N[5]C[5]S)(O[5]C[5]){1|C<3>,6|H<1>}	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,1|S<4>,2|C<4>}	O[5](C[5,6]C[6]2N[5])(C[5]C[5]HH){1|S<4>,2|C<3>,4|H<1>}	108.2065	3.177	2	108.2065	10.094	2	108.2065	10.094	2	105.6931	7.759	11	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	3:3:3:2:	4:3:1:	4:4:	N[5]-3:C[6]-3:C[6]-3:O[5]-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:	C[5,6](N[5]C[5a]C[5])(C[6]C[6]H)2(O[5]C[5])	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]H)(H)	O[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)	C[5,6](N[5]C[5a]C[5])(C[6]C[6]H)2(O[5]C[5]){1|C<3>,1|N<2>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	O[5](C[5,6]C[6]2N[5])(C[5]C[5]HH){1|O<1>,2|H<1>,3|C<3>}	108.6215	3.153	2	108.6215	9.941	2	108.6215	9.941	2	105.6931	7.759	11	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	3:3:3:2:	4:3:1:	4:4:	N[6]-3:C[6]-3:C[5]-3:O[5]-2:	C[5,6]-4:N[5,6]-3:O-1:	C[5,6]-4:C[5]-4:	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5])	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O)	O[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]CH)	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	O[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]CH){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	105.8955	0.135	2	104.2352	2.611	5	104.1383	1.809	7	105.6931	7.759	11	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	3:3:3:2:	4:3:1:	4:4:	N[6]-3:C[6]-3:C[5]-3:O[5]-2:	C[5,6]-4:N[5,6]-3:O-1:	C[5,6]-4:C[5]-4:	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5])	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O)	O[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]CH)	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	O[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]CH){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	103.9380	0.000	1	104.2352	2.611	5	104.1383	1.809	7	105.6931	7.759	11	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	3:3:3:2:	4:3:1:	4:4:	N[6]-3:C[6]-3:C[5]-3:O[5]-2:	C[5,6]-4:N[5,6]-3:O-1:	C[5,6]-4:C[5]-4:	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5])	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O)	O[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]CH)	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	O[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]CH){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	102.3660	0.000	1	104.2352	2.611	5	104.1383	1.809	7	105.6931	7.759	11	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	3:3:3:2:	4:3:1:	4:4:	N[6]-3:C[6]-3:C[5]-3:O[5]-2:	C[5,6]-4:N[5,6]-3:O-1:	C[5,6]-4:C[5]-4:	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5])	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O)	O[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]CH)	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O){1|S<2>,3|C<3>,3|C<4>,3|H<1>}	O[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]CH){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	103.0810	0.000	1	104.2352	2.611	5	104.1383	1.809	7	105.6931	7.759	11	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	3:3:3:2:	4:3:1:	4:4:	N[6]-3:C[6]-3:C[5]-3:O[5]-2:	C[5,6]-4:N[5,6]-3:O-1:	C[5,6]-4:C[5]-4:	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5])	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O)	O[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]C[6]H)	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	O[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]C[6]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	103.5480	0.000	1	103.8960	0.242	2	104.1383	1.809	7	105.6931	7.759	11	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	3:3:3:2:	4:3:1:	4:4:	N[6]-3:C[6]-3:C[5]-3:O[5]-2:	C[5,6]-4:N[5,6]-3:O-1:	C[5,6]-4:C[5]-4:	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5])	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O)	O[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]C[6]H)	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O){1|S<2>,2|C<4>,3|C<3>,4|H<1>}	O[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]C[6]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	104.2440	0.000	1	103.8960	0.242	2	104.1383	1.809	7	105.6931	7.759	11	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:2:1:	4:4:1:	4:4:	C[6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,5,6,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[5,5,6,6]O)(C[5,6]C[5,6]HH)(O[5]C[5])(H)	C[6](C[5,5,6,6]C[5,5,6,6]C[5,6]2)(C[5,6]C[5,6]O[5]H)(O)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](C[6]C[5,5,6,6]O)(C[5,6]C[5,6]HH)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,5,6,6]C[5,5,6,6]C[5,6]2)(C[5,6]C[5,6]O[5]H)(O){2|O<2>,4|C<4>,6|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	105.4750	0.000	1	105.4750	0.000	1	105.4750	0.000	1	105.4750	0.000	1	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:2:2:	3:4:4:	4:4:	C[6]-3:C[6]-4:O[5]-2:O[5]-2:	C[6,6]-3:C[5,6]-4:C-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6,6]C)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]2)(CH3)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6,6]C)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,1|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]2)(CH3){1|O<1>,2|H<1>,6|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	108.8395	0.875	2	108.8395	0.765	2	108.8395	0.765	2	108.8395	0.765	2	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:2:2:	4:4:1:	4:4:	C[6]-3:C[5]-4:O[5]-2:O[6]-2:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[5,6]O)(C[5]O[5]HH)(O[5]C[5])(O[6]C[6])	C[6](C[5,6]C[5]O[5]O[6])(C[5,6]C[5,6]O[5]H)(O)	O[5](C[5,6]C[5]C[6]O[6])(C[5]O[5]CC)	C[5,6](C[6]C[5,6]O)(C[5]O[5]HH)(O[5]C[5])(O[6]C[6]){1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5]O[5]O[6])(C[5,6]C[5,6]O[5]H)(O){2|O<2>,3|C<4>,3|H<1>}	O[5](C[5,6]C[5]C[6]O[6])(C[5]O[5]CC){1|O<1>,2|C<4>,2|H<1>}	107.3600	2.714	2	107.3600	7.365	2	107.3600	7.365	2	107.3600	7.365	2	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:3:2:	4:3:1:	4:4:	C[6,6]-3:C[5]-4:C[6]-3:O[5]-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]O[6])(C[5]C[5]HH)(C[6]C[6]H)(O[5]C[5])	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]C)(H)	O[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]CC)	C[5,6](C[6,6]C[6,6]O[6])(C[5]C[5]HH)(C[6]C[6]H)(O[5]C[5]){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]CC){2|C<3>,2|O<2>,4|H<1>}	106.7430	0.000	1	106.7430	0.000	1	106.7430	0.000	1	106.7430	0.000	1	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:2:3:1:	4:2:1:	4:4:	C[5,6,6]-4:O[5]-2:C[6]-3:H-1:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6,6]O)(O[5]C[5,6])(C[6]O[6]O)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(O[6]C[6,6])(O)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6,6]C[6]O)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]O)(O[5]C[5,6])(C[6]O[6]O)(H){1|H<1>,1|O<2>,5|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(O[6]C[6,6])(O){1|H<1>,1|O<2>,4|C<4>}	O[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6,6]C[6]O){1|O<1>,2|H<1>,2|O<2>,4|C<4>}	109.4760	0.000	1	109.4760	0.000	1	109.4760	0.000	1	109.4760	0.000	1	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:2:3:1:	4:3:1:	4:4:	C[5,5,6,6]-4:O[5]-2:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]H)(O[5]C[5,5,6])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,5,6,6]O[5]H)(C[6]C[6]H)(H)	O[5](C[5,5,6]C[3x5,6]C[5,6]O)(C[5,6]C[5,5,6,6]C[6]H)	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]H)(O[5]C[5,5,6])(C[6]C[6]H)(H){2|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6,6]O[5]H)(C[6]C[6]H)(H){1|O<2>,2|H<1>,3|C<4>}	O[5](C[5,5,6]C[3x5,6]C[5,6]O)(C[5,6]C[5,5,6,6]C[6]H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	108.6610	0.000	1	108.6610	0.000	1	108.6610	0.000	1	109.4364	1.264	7	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:2:3:1:	4:3:1:	4:4:	C[5,5,6]-4:O[5]-2:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,5]-4:	C[5,6](C[5,5,6]C[3x5]O[5,6]H)(O[5]C[5,5])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,5,6]H)(H)	O[5](C[5,6]C[5,5,6]C[6]H)(C[5,5]C[3x5]C[5]C)	C[5,6](C[5,5,6]C[3x5]O[5,6]H)(O[5]C[5,5])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<4>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,5,6]H)(H){1|H<1>,1|O<2>,4|C<4>}	O[5](C[5,6]C[5,5,6]C[6]H)(C[5,5]C[3x5]C[5]C){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	110.9010	0.000	1	110.9010	0.000	1	110.9010	0.000	1	109.4364	1.264	7	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:2:3:1:	4:3:1:	4:4:	C[5,6]-4:O[5]-2:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(O[5]C[5,5])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(H)	O[5](C[5,5]C[5,5]C[5]C)(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,5]C[6]C)(O[5]C[5,5])(C[6]C[6]H)(H){2|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(H){2|H<1>,4|C<4>}	O[5](C[5,5]C[5,5]C[5]C)(C[5,6]C[5,6]C[6]H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	110.1020	0.000	1	110.1020	0.000	1	109.7487	1.592	3	109.4364	1.264	7	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:2:3:1:	4:3:1:	4:4:	C[5,6]-4:O[5]-2:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(O[5]C[5,5])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,5]O[6]H)(O[5]C[5,5])(C[6]C[6]H)(H){1|C<3>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	109.5720	1.731	2	109.5720	2.996	2	109.7487	1.592	3	109.4364	1.264	7	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:2:3:1:	4:3:1:	4:4:	C[5,6]-4:O[5]-2:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5,6])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]2O[5])	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(H){2|C<4>,2|H<1>,2|O<2>}	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]2O[5]){1|C<3>,3|C<4>,6|H<1>}	108.6235	0.199	2	108.6235	0.039	2	108.6235	0.039	2	109.4364	1.264	7	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:2:3:1:	4:4:1:	4:4:	C[5,6]-4:O[5]-2:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5,5])(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CC)(O)	O[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5,5])(C[6]C[6]O)(H){1|O<1>,3|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CC)(O){1|H<1>,2|C<4>,3|C<3>}	O[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H){1|H<1>,1|N<3>,2|O<1>,3|C<3>,3|C<4>}	104.9620	0.000	1	104.9620	0.000	1	104.9620	0.000	1	104.9620	0.000	1	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:2:3:2:	4:3:1:	4:4:	C[5,6,6]-4:O[5]-2:C[6]-3:O-2:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(O[5]C[5,6])(C[6]C[6]O)(OC)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]H)(O)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6,6]C[6]O)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(O[5]C[5,6])(C[6]C[6]O)(OC){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]H)(O){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6,6]C[6]O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	107.9430	0.000	1	107.9430	0.000	1	107.9430	0.000	1	107.8043	0.286	3	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:2:3:2:	4:3:1:	4:4:	C[5]-4:O[6]-2:C[6]-3:O[5]-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5]C[5]HH)(O[6]C[4,6])(C[6]C[6]H)(O[5]C[5])	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]H)(H)	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)	C[5,6](C[5]C[5]HH)(O[6]C[4,6])(C[6]C[6]H)(O[5]C[5]){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]H)(H){1|N<2>,2|H<1>,3|C<4>}	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH){1|C<3>,1|C<4>,5|H<1>}	107.7350	0.737	2	107.7350	0.543	2	107.7350	0.543	2	107.8043	0.286	3	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:2:3:2:	4:4:1:	4:4:	C[5]-4:O[5]-2:C[6]-3:O[6]-2:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5,5]-4:	C[5,6](C[5]C[5,5]CH)(O[5]C[5,5])(C[6]C[6]O)(O[6]C[6])	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(O)	O[5](C[5,6]C[5]C[6]O[6])(C[5,5]C[5,5]C[5]H)	C[5,6](C[5]C[5,5]CH)(O[5]C[5,5])(C[6]C[6]O)(O[6]C[6]){3|C<4>,6|H<1>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(O){2|H<1>,5|C<4>}	O[5](C[5,6]C[5]C[6]O[6])(C[5,5]C[5,5]C[5]H){1|O<1>,4|H<1>,5|C<4>}	105.5500	2.326	2	105.5500	5.412	2	105.5500	5.412	2	105.5500	5.412	2	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:2:3:3:	4:3:1:	4:4:	C[5]-4:O[5]-2:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5]C[5]HH)(O[5]C[5,5])(C[6]C[6]H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H)	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5]C[6]2)	C[5,6](C[5]C[5]HH)(O[5]C[5,5])(C[6]C[6]H)2{1|O<2>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5]C[6]2){1|C<4>,4|C<3>,6|H<1>}	108.0645	0.605	2	108.0645	0.366	2	108.0645	0.366	2	107.6620	0.666	4	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:2:3:3:	4:3:1:	4:4:	C[5]-4:O[5]-2:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5]C[5,6]CH)(O[5]C[5,6])(C[6]C[6]H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]2)	C[5,6](C[5]C[5,6]CH)(O[5]C[5,6])(C[6]C[6]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]2){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	107.2595	0.992	2	107.2595	0.984	2	107.2595	0.984	2	107.6620	0.666	4	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:2:3:4:	4:3:1:	4:4:	C[5,6]-4:O[5]-2:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:	C[5,3x6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,3x6]C[6]H)(O[5]C[5,3x6])(C[6]C[6]H)(CC3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]C)(H)	O[5](C[5,3x6]C[5,3x6]C[6,6]2)(C[5,6]C[5,6]C[6]C)	C[5,6](C[5,6]C[5,3x6]C[6]H)(O[5]C[5,3x6])(C[6]C[6]H)(CC3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]C)(H){1|H<1>,1|O<1>,3|C<4>}	O[5](C[5,3x6]C[5,3x6]C[6,6]2)(C[5,6]C[5,6]C[6]C){1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	107.8890	0.000	1	107.8890	0.000	1	107.8890	0.000	1	107.2697	8.674	3	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:2:3:4:	4:3:1:	4:4:	C[5,6]-4:O[5]-2:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]N[5,5]C[6]H)(O[5]C[5,5])(C[6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	O[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6]C[5,6]C[6]C)	C[5,6](C[5,6]N[5,5]C[6]H)(O[5]C[5,5])(C[6]C[6]H)(CH3){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	O[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6]C[5,6]C[6]C){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	109.8560	0.000	1	109.8560	0.000	1	109.8560	0.000	1	107.2697	8.674	3	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:2:3:4:	4:3:1:	4:4:	C[5,6]-4:O[5]-2:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(C[6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	O[5](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,6]O[6]H)	C[5,6](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,6]O[6]H){1|C<3>,3|C<4>,3|H<1>}	104.0640	0.000	1	104.0640	0.000	1	104.0640	0.000	1	107.2697	8.674	3	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:1:	3:4:3:	4:3:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:C-3:	C[5,6]-4:N[5]-3:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]C)(O[5]N[5])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(CC[6a]H)	O[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]C)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]C)(O[5]N[5])(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(CC[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]C){3|C<3>,3|H<1>}	109.3210	0.000	1	109.3210	0.000	1	109.3210	0.000	1	109.3210	0.000	1	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:1:	4:3:1:	4:2:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:O[5]-2:	C[5,6](C[5,6,6]C[5,6,6]C[6,6]C)(C[6]C[6]H)(O[5]O[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(H)	O[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6,6])	C[5,6](C[5,6,6]C[5,6,6]C[6,6]C)(C[6]C[6]H)(O[5]O[5])(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(H){1|O<2>,5|C<4>}	O[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6,6]){1|H<1>,2|C<3>,3|C<4>}	110.6475	0.217	2	110.6475	0.047	2	110.6475	0.047	2	110.6475	0.047	2	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:1:	4:3:1:	4:4:	C[5,5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]H)(H)	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]CO)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6]H)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]H)(H){2|H<1>,4|C<4>}	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]CO){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	110.7350	0.000	1	110.7350	0.000	1	110.7350	0.000	1	111.3936	3.635	27	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:1:	4:3:1:	4:4:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[3x6]-3:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[3x6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[3x6]C[4x6]C[6,6])(H)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[3x6]H)(O[5]C[5])(H){1|O<2>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[3x6]C[4x6]C[6,6])(H){3|H<1>,6|C<4>}	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	114.3210	0.000	1	114.3210	0.000	1	114.3210	0.000	1	111.3936	3.635	27	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:1:	4:3:1:	4:4:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,5,6]C)(H)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CH)	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]H)(O[5]C[5])(H){1|H<1>,7|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,5,6]C)(H){1|H<1>,1|O<2>,4|C<4>}	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CH){1|C<3>,2|H<1>,3|C<4>}	114.0160	0.000	1	114.0160	0.000	1	114.0160	0.000	1	111.3936	3.635	27	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:1:	4:3:1:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:Br-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]Br)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]H)(Br)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]Br)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]H)(Br){2|C<4>,2|H<1>,2|O<2>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	112.9785	0.026	2	112.9785	0.001	2	111.3097	2.330	7	111.3936	3.635	27	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:1:	4:3:1:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:Br-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]Br)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(Br)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]Br)(O[5]C[5])(H){1|N<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(Br){2|C<4>,2|H<1>,2|O<2>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	109.9540	1.211	2	110.6422	1.546	5	111.3097	2.330	7	111.3936	3.635	27	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:1:	4:3:1:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:Br-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]Br)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(Br)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]Br)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(Br){1|O<2>,2|H<1>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	112.4640	0.000	1	110.6422	1.546	5	111.3097	2.330	7	111.3936	3.635	27	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:1:	4:3:1:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:Br-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]Br)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(Br)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]Br)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(Br){2|C<4>,2|H<1>,2|O<2>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	110.4195	0.595	2	110.6422	1.546	5	111.3097	2.330	7	111.3936	3.635	27	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:1:	4:3:1:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:Cl-1:	C[5,6]-4:S[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]Cl)(O[5]S[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(Cl)	O[5](C[5,6]C[5,6]C[6]H)(S[5]O[5]OO)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]Cl)(O[5]S[5])(H){1|C<4>,2|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(Cl){1|C<4>,1|O<2>,1|S<4>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(S[5]O[5]OO){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	109.5460	0.000	1	109.5460	0.000	1	109.5460	0.000	1	111.3936	3.635	27	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:1:	4:3:1:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[3,6,6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,6]H)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[3,6,6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H){1|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,6]H)(H){1|O<2>,2|H<1>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,2|H<1>}	111.6623	0.405	3	111.6623	0.164	3	111.1715	5.320	12	111.3936	3.635	27	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:1:	4:3:1:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]H)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H){1|C<3>,1|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]H)(H){2|C<4>,2|H<1>,2|O<2>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,2|H<1>}	109.5930	0.000	1	110.1365	0.591	2	111.1715	5.320	12	111.3936	3.635	27	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:1:	4:3:1:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]H)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H){1|H<1>,1|N<3>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]H)(H){1|N<2>,1|O<2>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,2|H<1>}	110.6800	0.000	1	110.1365	0.591	2	111.1715	5.320	12	111.3936	3.635	27	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:1:	4:3:1:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]Br)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H){1|Br<1>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]Br)(H){2|C<4>,2|H<1>,2|O<2>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,2|H<1>}	110.1020	0.854	2	110.1020	0.730	2	111.1715	5.320	12	111.3936	3.635	27	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:1:	4:3:1:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]H)(O[5]C[5])(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(H){1|O<1>,4|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH){1|C<3>,2|C<4>,3|H<1>}	109.1340	0.000	1	109.1340	0.000	1	111.1715	5.320	12	111.3936	3.635	27	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:1:	4:3:1:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]H)(O[5]C[5])(H){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H){1|O<2>,2|C<4>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH){1|C<3>,1|O<2>,4|H<1>}	111.7140	0.000	1	111.7140	0.000	1	111.1715	5.320	12	111.3936	3.635	27	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:1:	4:3:1:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]H)(O[5]C[5])(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|H<1>,3|C<3>}	110.1070	0.000	1	110.1070	0.000	1	111.1715	5.320	12	111.3936	3.635	27	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:1:	4:3:1:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,2|H<1>}	117.8270	0.000	1	117.8270	0.000	1	111.1715	5.320	12	111.3936	3.635	27	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:1:	4:3:1:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H){1|N<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H){2|C<4>,2|H<1>,2|O<2>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,2|H<1>}	109.8120	0.000	1	109.8120	0.000	1	111.1715	5.320	12	111.3936	3.635	27	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:1:	4:3:1:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:I-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]I)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(I)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]I)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(I){1|Cl<1>,1|O<2>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>,1|I<1>}	110.2570	0.000	1	111.3700	0.990	3	111.3700	0.990	3	111.3936	3.635	27	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:1:	4:3:1:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:I-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]I)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(I)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]I)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(I){2|C<4>,2|H<1>,2|O<2>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>,1|I<1>}	111.9265	0.350	2	111.3700	0.990	3	111.3700	0.990	3	111.3936	3.635	27	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:1:	4:3:1:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]O)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(O)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]O)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(O){1|H<1>,2|C<4>,2|O<2>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	111.6720	0.000	1	111.6720	0.000	1	111.6720	0.000	1	111.3936	3.635	27	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]C)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(CHO)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CC)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]C)(O[5]C[5])(H){2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(CHO){2|C<4>,4|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CC){1|C<4>,2|C<3>,3|H<1>}	109.3480	0.000	1	109.3480	0.000	1	109.3480	0.000	1	109.9874	0.762	7	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]2)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[6])(C[6]C[6]H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]2)(O[5]C[5])(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[6])(C[6]C[6]H){2|O<2>,4|C<4>,5|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<4>,1|H<1>,2|C<3>}	110.6320	1.372	2	110.6320	1.882	2	110.6320	1.882	2	109.9874	0.762	7	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6a]C[6])(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6a]C[6])(O[5]C[5])(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]H){2|C<3>,2|C<4>,3|H<1>,3|O<2>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<4>,1|H<1>,2|C<3>}	109.4200	0.574	2	109.8250	0.448	4	109.8250	0.448	4	109.9874	0.762	7	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6a]C[6])(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6a]C[6])(O[5]C[5])(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<4>,1|H<1>,2|C<3>}	110.2300	0.598	2	109.8250	0.448	4	109.8250	0.448	4	109.9874	0.762	7	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:1:	4:3:4:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]C)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(CH3)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]C)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(CH3){2|C<4>,2|H<1>,2|O<2>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|H<1>,2|C<4>}	111.8440	0.000	1	111.8440	0.000	1	111.8440	0.000	1	111.8440	0.000	1	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:1:	4:4:1:	4:4:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]O)(O[5]C[5])(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6]C[5,6,6]O[5]H)(O)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HH)	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]O)(O[5]C[5])(H){2|C<3>,2|H<1>,5|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6]C[5,6,6]O[5]H)(O){1|C<3>,1|O<1>,1|O<2>,3|H<1>,5|C<4>}	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HH){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	111.6190	0.000	1	111.6190	0.000	1	111.6190	0.000	1	111.0616	6.445	23	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:1:	4:4:1:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[5,6,6]O)(O[5]C[5])(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[5]H)(O)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[5,6,6]O)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[5]H)(O){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<1>,3|C<4>}	107.5430	0.000	1	107.5430	0.000	1	107.5430	0.000	1	111.0616	6.445	23	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:1:	4:4:1:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]O)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(O)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]O)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(O){1|C<3>,2|H<1>,5|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO){1|O<1>,2|H<1>,3|C<4>}	110.0910	0.000	1	108.9805	2.466	2	109.8461	7.323	9	111.0616	6.445	23	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:1:	4:4:1:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]O)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(O)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]O)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(O){2|C<3>,2|H<1>,4|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO){1|O<1>,2|H<1>,3|C<4>}	107.8700	0.000	1	108.9805	2.466	2	109.8461	7.323	9	111.0616	6.445	23	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:1:	4:4:1:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]2H)(O)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]2H)(O){2|O<2>,3|H<1>,4|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|H<1>,1|O<1>,2|C<4>}	106.3085	0.125	2	106.3085	0.016	2	109.8461	7.323	9	111.0616	6.445	23	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:1:	4:4:1:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)2(O)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)2(O){2|H<1>,2|O<2>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|H<1>,1|O<1>,2|C<4>}	109.9200	2.061	2	109.9200	4.246	2	109.8461	7.323	9	111.0616	6.445	23	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:1:	4:4:1:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(O[5]C[5])(H)	C[6](C[5,6]C[5]O[5]O[6])(C[5,6]C[5,6]O[5]H)(O)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5]O[5]O[6])(C[5,6]C[5,6]O[5]H)(O){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|H<1>,1|O<1>,2|C<4>}	112.5900	0.000	1	112.7323	0.162	3	109.8461	7.323	9	111.0616	6.445	23	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:1:	4:4:1:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(O[5]C[5])(H)	C[6](C[5,6]C[5]O[5]O[6])(C[5,6]C[5,6]O[5]H)(O)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5]O[5]O[6])(C[5,6]C[5,6]O[5]H)(O){2|O<2>,3|C<4>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|H<1>,1|O<1>,2|C<4>}	112.8035	0.542	2	112.7323	0.162	3	109.8461	7.323	9	111.0616	6.445	23	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:1:	4:4:1:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:O-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]O)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]2)(O)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]O)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]2)(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|H<1>,1|O<1>,2|C<4>}	111.3820	0.598	2	111.6505	0.171	8	111.6505	0.171	8	111.0616	6.445	23	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:1:	4:4:1:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:O-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]O)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]2)(O)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]O)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]2)(O){1|N<3>,1|O<2>,3|C<4>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|H<1>,1|O<1>,2|C<4>}	111.7400	0.360	6	111.6505	0.171	8	111.6505	0.171	8	111.0616	6.445	23	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:1:	4:4:1:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]C)(C[6]C[6]O)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(O)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]C)(C[6]C[6]O)(O[5]C[5])(H){1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(O){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|O<1>,2|C<4>}	118.2580	0.000	1	118.2580	0.000	1	113.3588	10.712	4	111.0616	6.445	23	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:1:	4:4:1:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(O)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(O[5]C[5])(H){1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(O){1|O<2>,2|H<1>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|H<1>,1|O<1>,2|C<4>}	111.8650	0.122	2	111.8650	0.015	2	113.3588	10.712	4	111.0616	6.445	23	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:1:	4:4:1:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]O)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(O)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]O)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(O){1|O<2>,2|C<4>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|H<1>,1|O<1>,2|C<4>}	111.4470	0.000	1	111.4470	0.000	1	113.3588	10.712	4	111.0616	6.445	23	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:1:	4:4:3:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C-3:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]C)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)2(CHO)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]C)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)2(CHO){2|H<1>,2|O<2>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|H<1>,2|C<4>}	114.8985	5.680	2	114.8985	32.265	2	114.8985	32.265	2	114.8985	32.265	2	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:2:	3:4:1:	4:3:	C[5]-4:C[6]-3:O[5]-2:S[6]-2:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:N[5]-3:	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(O[5]N[5])(S[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[5]S[6])(O)	O[5](C[5,6]C[5]C[6]S[6])(N[5]C[6a]C[5])	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(O[5]N[5])(S[6]C[6]){3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[5]S[6])(O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	O[5](C[5,6]C[5]C[6]S[6])(N[5]C[6a]C[5]){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	105.7770	0.000	1	105.7770	0.000	1	105.7770	0.000	1	105.7770	0.000	1	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:2:	3:4:1:	4:4:	C[5,6,6]-4:C[6]-3:O[5]-2:O-2:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]O)(O[5]C[5])(OC)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[5,6]C[5,6,6]O[5]O)(O)	O[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]O)(O[5]C[5])(OC){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[5,6]C[5,6,6]O[5]O)(O){1|H<1>,2|C<3>,4|C<4>}	O[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	110.9250	0.000	1	110.9250	0.000	1	110.9250	0.000	1	110.9250	0.000	1	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:2:	4:3:1:	4:4:	C[5,6,6]-4:C[6]-3:O[5]-2:O-2:	C[5,6]-4:C[6,6]-3:O-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[6]C[6,6]O)(O[5]C[5])(OH)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]C[6])(O)	O[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[6]C[6,6]O)(O[5]C[5])(OH){1|C<3>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]C[6])(O){1|H<1>,2|O<2>,5|C<4>}	O[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	105.3247	1.745	3	105.3247	3.044	3	105.3247	3.044	3	108.5227	3.805	24	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:2:	4:3:1:	4:4:	C[5,6,6]-4:C[6]-3:O[5]-2:O-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(O[5]C[5])(OC)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]H)(H)	O[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(O[5]C[5])(OC){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<4>}	O[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH){1|C<4>,2|C<3>,3|H<1>}	108.9400	0.000	1	108.9400	0.000	1	108.9400	0.000	1	108.5227	3.805	24	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:2:	4:3:1:	4:4:	C[6,6]-4:C[6]-3:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O[5]C[5])2	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]C)(H)	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH)	C[5,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O[5]C[5])2{2|C<3>,2|C<4>,7|H<1>}	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]C)(H){1|H<1>,1|O<1>,4|C<4>}	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	108.4297	1.269	4	108.4297	1.610	4	108.3594	1.177	10	108.5227	3.805	24	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:2:	4:3:1:	4:4:	C[6,6]-4:C[6]-3:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O[5]C[5])2	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]H)(H)	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH)	C[5,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O[5]C[5])2{1|C<4>,4|C<3>,5|H<1>}	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH){1|C<4>,2|C<3>,4|H<1>}	108.3125	1.070	6	108.3125	1.146	6	108.3594	1.177	10	108.5227	3.805	24	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:2:	4:3:1:	4:4:	C[6]-4:C[6]-3:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-3:Br-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]CH)(C[6]C[6]Br)(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]H)(Br)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]CH)(C[6]C[6]Br)(O[5]C[5])2{1|C<4>,1|O<2>,6|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]H)(Br){3|H<1>,4|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	109.7108	1.886	8	109.7108	3.558	8	109.7108	3.558	8	108.5227	3.805	24	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:2:	4:3:1:	4:4:	C[6]-4:C[6]-3:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)(C[6]C[6]H)(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]C)(H)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)	C[5,6](C[6]C[6]HH)(C[6]C[6]H)(O[5]C[5])2{2|H<1>,6|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]C)(H){1|C<2>,1|O<2>,2|H<1>,3|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH){1|C<3>,2|C<4>,4|H<1>}	109.1750	1.632	2	109.1750	2.663	2	109.1750	2.663	2	108.5227	3.805	24	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:2:	4:3:4:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:C-2:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]C)(O[5]C[5])(CC)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(CH3)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]C)(O[5]C[5])(CC){2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(CH3){1|O<2>,2|C<4>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	109.0730	0.000	1	109.0730	0.000	1	109.0730	0.000	1	109.1440	2.653	3	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:2:	4:3:4:	4:4:	C[6]-4:C[6]-3:O[5]-2:S[5]-2:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)(C[6]C[6]C)(O[5]C[5])(S[5]C[5])	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]C)(CH3)	O[5](C[5,6]C[6]2S[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)(C[6]C[6]C)(O[5]C[5])(S[5]C[5]){2|C<4>,6|H<1>}	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]C)(CH3){3|C<4>,4|H<1>}	O[5](C[5,6]C[6]2S[5])(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	109.1795	2.302	2	109.1795	5.298	2	109.1795	5.298	2	109.1440	2.653	3	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:2:	4:4:1:	4:4:	C[5,6,6]-4:C[6]-3:O[5]-2:O-2:	C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(O[5]C[5])(OH)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[5,6]CH)(H)	O[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(O[5]C[5])(OH){1|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[5,6]CH)(H){1|C<3>,1|H<1>,4|C<4>}	O[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH){1|O<2>,2|H<1>,3|C<4>}	111.4150	0.000	1	111.4150	0.000	1	111.4150	0.000	1	108.6993	11.098	3	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:2:	4:4:1:	4:4:	C[5,6,6]-4:C[6]-3:O[5]-2:O-2:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]O)(O[5]C[5])(OC)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]CC)(O)	O[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]O)(O[5]C[5])(OC){3|H<1>,6|C<4>}	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]CC)(O){2|H<1>,4|C<4>}	O[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH){1|O<1>,2|H<1>,3|C<4>}	109.7010	0.000	1	109.7010	0.000	1	109.7010	0.000	1	108.6993	11.098	3	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:2:	4:4:1:	4:4:	C[5]-4:C[6]-3:O[5]-2:O[6]-2:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5]C[5]HS)(C[6]C[6]O)(O[5]C[5])(O[6]C[6])	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(O)	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]CH)	C[5,6](C[5]C[5]HS)(C[6]C[6]O)(O[5]C[5])(O[6]C[6]){3|C<4>,6|H<1>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(O){1|S<4>,3|C<4>,3|H<1>}	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]CH){1|O<1>,1|S<4>,2|C<4>,3|H<1>}	104.9820	0.000	1	104.9820	0.000	1	104.9820	0.000	1	108.6993	11.098	3	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:2:	4:4:3:	4:4:	C[6]-4:C[6]-3:O[5]-2:S[5]-2:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)(C[6]C[6]C)(O[5]C[5])(S[5]C[5])	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]CH)(CCH)	O[5](C[5,6]C[6]2S[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)(C[6]C[6]C)(O[5]C[5])(S[5]C[5]){2|C<4>,7|H<1>}	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]CH)(CCH){3|C<4>,4|H<1>}	O[5](C[5,6]C[6]2S[5])(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	115.1980	0.000	1	115.1980	0.000	1	115.1980	0.000	1	115.1980	0.000	1	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:3:	4:3:1:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:C-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(COO)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(COO){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC){2|C<3>,2|H<1>}	107.6600	0.000	1	107.6600	0.000	1	107.6600	0.000	1	107.6600	0.000	1	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:4:	3:4:1:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[6,6]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6]H)(O[5]C[5])(CH3)	C[6](C[6,6]C[5,6,6]C[6,6])(C[5,6]C[5,6]O[5]C)(H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6]H)(O[5]C[5])(CH3){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6])(C[5,6]C[5,6]O[5]C)(H){2|C<3>,7|C<4>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	106.4860	0.000	1	106.4860	0.000	1	106.4860	0.000	1	106.4860	0.000	1	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:4:	4:2:1:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:N[6]-2:O-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]O)(O[5]C[5])(CHHO)	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6])(O)	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]O)(O[5]C[5])(CHHO){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6])(O){1|O<2>,2|C<4>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC){1|C<4>,1|H<1>,1|N<2>,1|O<1>}	107.1230	0.000	1	107.1230	0.000	1	107.1230	0.000	1	107.1230	0.000	1	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:4:	4:3:1:	4:3:	C[5,5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:N[5]-3:	C[5,6](C[5,5,6]C[5,6]O[5]2)(C[6]C[6]H)(O[5]N[5])(CH3)	C[6](C[5,6]C[5,5,6]O[5]C)(C[6]C[6]N)(H)	O[5](C[5,6]C[5,5,6]C[6]C)(N[5]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]O[5]2)(C[6]C[6]H)(O[5]N[5])(CH3){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[6](C[5,6]C[5,5,6]O[5]C)(C[6]C[6]N)(H){1|C<4>,1|N<3>,2|H<1>,2|O<2>}	O[5](C[5,6]C[5,5,6]C[6]C)(N[5]C[5,6]C){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	108.9430	0.000	1	108.9430	0.000	1	108.9430	0.000	1	108.9430	0.000	1	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:4:	4:3:1:	4:4:	C[5,5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5,6]C)(C[6]C[6]H)(O[5]C[5])(CH3)	C[6](C[5,6]C[5,5,6]O[5]C)(C[6]C[5,6]H)(H)	O[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[3x5,6]HH)	C[5,6](C[5,5,6]C[3x5,6]C[5,6]C)(C[6]C[6]H)(O[5]C[5])(CH3){1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]O[5]C)(C[6]C[5,6]H)(H){1|C<3>,5|C<4>}	O[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[3x5,6]HH){1|H<1>,2|C<3>,3|C<4>}	110.2970	0.000	1	110.2970	0.000	1	109.6565	0.820	2	107.6678	1.582	24	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:4:	4:3:1:	4:4:	C[5,5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C[6](C[5,6]C[5,5,6]O[5]C)(C[6]C[6]H)(H)	O[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5,6]HH)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,5,6]O[5]C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<4>}	O[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5,6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	109.0160	0.000	1	109.0160	0.000	1	109.6565	0.820	2	107.6678	1.582	24	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:4:	4:3:1:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC){1|C<4>,2|C<3>,2|H<1>}	108.7200	0.000	1	108.7200	0.000	1	107.3644	1.332	19	107.6678	1.582	24	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:4:	4:3:1:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|Br<1>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	106.1710	0.772	2	106.9306	1.006	14	107.3644	1.332	19	107.6678	1.582	24	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:4:	4:3:1:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH){1|C<3>,2|H<1>,3|C<4>}	105.0970	0.000	1	106.9306	1.006	14	107.3644	1.332	19	107.6678	1.582	24	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:4:	4:3:1:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|Cl<1>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	107.0230	0.850	5	106.9306	1.006	14	107.3644	1.332	19	107.6678	1.582	24	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:4:	4:3:1:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH){2|H<1>,3|C<3>}	106.1420	0.000	1	106.9306	1.006	14	107.3644	1.332	19	107.6678	1.582	24	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:4:	4:3:1:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	107.6322	0.749	4	106.9306	1.006	14	107.3644	1.332	19	107.6678	1.582	24	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:4:	4:3:1:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){1|O<2>,2|H<1>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH){1|C<3>,2|C<4>,3|H<1>}	107.8040	0.000	1	106.9306	1.006	14	107.3644	1.332	19	107.6678	1.582	24	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:4:	4:3:1:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]C[5]H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]C[5]H){2|C<4>,3|C<3>,3|H<1>}	108.5260	0.863	2	108.5260	0.744	2	107.3644	1.332	19	107.6678	1.582	24	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:4:	4:3:1:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]O[5]C)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]O[5]C){1|C<4>,2|H<1>,3|C<3>}	108.3250	0.000	1	108.3250	0.000	1	107.3644	1.332	19	107.6678	1.582	24	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:4:	4:3:1:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]O[5]H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(CH3){2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]O[5]H){1|C<4>,2|H<1>,3|C<3>}	108.7980	0.000	1	108.7980	0.000	1	107.3644	1.332	19	107.6678	1.582	24	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:4:	4:3:1:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]O)(O[5]C[5])(CHHO)	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]H)(O)	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]O)(O[5]C[5])(CHHO){1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]H)(O){1|O<2>,2|C<4>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	108.2890	0.000	1	108.2633	0.435	3	108.2633	0.435	3	107.6678	1.582	24	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:4:	4:3:1:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]O)(O[5]C[5])(CHHO)	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]H)(O)	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]O)(O[5]C[5])(CHHO){1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]H)(O){1|O<2>,2|H<1>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	108.2505	0.933	2	108.2633	0.435	3	108.2633	0.435	3	107.6678	1.582	24	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:4:	4:3:3:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]C)(O[5]C[5])(CHHO)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]C)(CCO)	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]C)(O[5]C[5])(CHHO){2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]C)(CCO){1|O<2>,2|C<4>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC){1|C<4>,1|H<1>,2|C<3>}	109.1210	0.000	1	109.1210	0.000	1	109.1210	0.000	1	109.1210	0.000	1	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:4:	4:4:1:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6,6]O)(O[5]C[5])(CCHH)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[5]C)(O)	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6,6]O)(O[5]C[5])(CCHH){1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[5]C)(O){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC){1|H<1>,1|O<1>,2|C<4>}	104.9060	0.000	1	104.9060	0.000	1	104.9060	0.000	1	104.9060	0.000	1	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:3:2:	3:4:1:	4:4:	C[6]-4:C[6]-3:C[5]-3:O[5]-2:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6a]O[6]O)(C[6]C[6,6a]O)(C[5]C[5]C)(O[5]C[5])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)	C[5,6](C[6]C[6a]O[6]O)(C[6]C[6,6a]O)(C[5]C[5]C)(O[5]C[5]){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	109.6200	0.000	1	109.6200	0.000	1	109.6200	0.000	1	109.6200	0.000	1	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:3:2:	4:2:1:	4:4:	C[5]-4:C[6]-3:C[6]-3:O[5]-2:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5]C[5]CH)(C[6]O[6]O)2(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(O[6]C[6])(O)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)	C[5,6](C[5]C[5]CH)(C[6]O[6]O)2(O[5]C[5]){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(O[6]C[6])(O){1|H<1>,1|O<1>,1|O<2>,5|C<4>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH){1|C<3>,1|C<4>,2|H<1>,2|O<1>,2|O<2>}	106.4477	0.845	6	106.4477	0.715	6	106.3751	0.689	8	106.3751	0.689	8	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:3:2:	4:2:1:	4:4:	C[5]-4:C[6]-3:C[6]-3:O[5]-2:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5]C[5]C[6]H)(C[6]O[6]O)2(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(O[6]C[6])(O)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)	C[5,6](C[5]C[5]C[6]H)(C[6]O[6]O)2(O[5]C[5]){1|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(O[6]C[6])(O){1|H<1>,1|O<1>,1|O<2>,5|C<4>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH){1|C<3>,1|C<4>,2|H<1>,2|O<1>,2|O<2>}	106.1575	1.059	2	106.1575	1.121	2	106.3751	0.689	8	106.3751	0.689	8	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:3:2:	4:3:1:	4:3:	C[5]-4:C[6]-3:N[6]-3:O[5]-2:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:N[5]-3:	C[5,6](C[5]C[5]HH)(C[6]N[6]O)(N[6]C[6]C)(O[5]N[5])	C[6](C[5,6]C[5]N[6]O[5])(N[6]C[5,6]C)(O)	O[5](C[5,6]C[5]C[6]N[6])(N[5]C[6a]C[5])	C[5,6](C[5]C[5]HH)(C[6]N[6]O)(N[6]C[6]C)(O[5]N[5]){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5]N[6]O[5])(N[6]C[5,6]C)(O){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	O[5](C[5,6]C[5]C[6]N[6])(N[5]C[6a]C[5]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	103.4480	0.000	1	103.4480	0.000	1	103.4480	0.000	1	103.4480	0.000	1	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:3:2:	4:3:1:	4:4:	C[5]-4:C[6]-3:C[6]-3:O[5]-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5]C[5]HH)(C[6]C[6]H)2(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]OO)	C[5,6](C[5]C[5]HH)(C[6]C[6]H)2(O[5]C[5]){2|C<3>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]OO){3|C<3>,5|H<1>}	108.6345	1.289	2	108.6345	1.662	2	108.6345	1.662	2	108.6345	1.662	2	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:4:2:	3:4:1:	3:4:	C[5]-4:C[6]-3:C[6]-4:O[5]-2:	C[6,6a]-3:C[5,6]-4:O-1:	N[5,5]-3:C[5,6]-4:	C[5,6](C[5]C[5,5]C[6a]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]N[5,5])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O)	O[5](N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)	C[5,6](C[5]C[5,5]C[6a]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]N[5,5]){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	O[5](N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2){1|O<1>,2|C<3>,4|C<4>,5|H<1>}	104.4720	0.000	1	104.4720	0.000	1	104.4715	0.000	2	104.4715	0.000	2	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:4:2:	3:4:1:	3:4:	C[5]-4:C[6]-3:C[6]-4:O[5]-2:	C[6,6a]-3:C[5,6]-4:O-1:	N[5,5]-3:C[5,6]-4:	C[5,6](C[5]C[5,5]C[6a]H)(C[6]C[6,6a]O)(C[6]O[6]HH)(O[5]N[5,5])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O)	O[5](N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)	C[5,6](C[5]C[5,5]C[6a]H)(C[6]C[6,6a]O)(C[6]O[6]HH)(O[5]N[5,5]){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	O[5](N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2){1|O<1>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	104.4710	0.000	1	104.4710	0.000	1	104.4715	0.000	2	104.4715	0.000	2	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:3:	4:3:1:	4:4:	C[6]-4:C[5]-4:O[5]-2:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,5]-4:C[5,6]-4:	C[5,6](C[6]C[5a]C[6]H)(C[5]C[5,5]HH)(O[5]C[5,5])(C[6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H)	O[5](C[5,5]C[5,5]C[5]O)(C[5,6]C[5]C[6]2)	C[5,6](C[6]C[5a]C[6]H)(C[5]C[5,5]HH)(O[5]C[5,5])(C[6]C[6]H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	O[5](C[5,5]C[5,5]C[5]O)(C[5,6]C[5]C[6]2){3|C<3>,3|C<4>,6|H<1>}	107.9070	0.000	1	107.9070	0.000	1	107.9070	0.000	1	107.9070	0.000	1	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:3:2:	4:3:1:	4:4:	C[5]-4:C[6]-4:C[6]-3:O[5]-2:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5]C[5]CH)(C[6]C[6]HH)(C[6]C[6]O)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(O)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)	C[5,6](C[5]C[5]CH)(C[6]C[6]HH)(C[6]C[6]O)(O[5]C[5]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(O){2|C<3>,3|C<4>,3|H<1>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH){1|O<1>,3|C<3>,5|H<1>}	109.3395	0.366	2	109.3395	0.134	2	109.3395	0.134	2	109.3395	0.134	2	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:3:2:	4:4:1:	4:3:	C[5,5]-4:C[6]-4:C[6]-3:O[5]-2:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:N[5]-3:	C[5,6](C[5,5]C[5,5]N[5]H)(C[6]C[6]CH)(C[6]C[6]O)(O[5]N[5])	C[6](C[5,6]C[5,5]C[6]O[5])(C[6]C[6]CH)(O)	O[5](C[5,6]C[5,5]C[6]2)(N[5]C[5,5]C[6a])	C[5,6](C[5,5]C[5,5]N[5]H)(C[6]C[6]CH)(C[6]C[6]O)(O[5]N[5]){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5]C[6]O[5])(C[6]C[6]CH)(O){2|N<3>,3|C<4>,4|H<1>}	O[5](C[5,6]C[5,5]C[6]2)(N[5]C[5,5]C[6a]){1|N<3>,1|O<1>,2|C<3>,3|H<1>,4|C<4>}	109.6915	1.173	2	109.6915	1.376	2	109.6915	1.376	2	109.6915	1.376	2	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:3:2:	4:4:1:	4:4:	C[5,6]-4:C[6]-4:C[6]-3:O[5]-2:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]2O)(C[6]C[5,6]O)(O[5]C[5])	C[6](C[5,6]C[5,6]C[6]O[5])(C[5,6]O[5,6]C[5]H)(O)	O[5](C[5,6]C[5,6]C[6]2)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]2O)(C[6]C[5,6]O)(O[5]C[5]){4|H<1>,4|O<2>,5|C<4>}	C[6](C[5,6]C[5,6]C[6]O[5])(C[5,6]O[5,6]C[5]H)(O){3|H<1>,3|O<2>,4|C<4>}	O[5](C[5,6]C[5,6]C[6]2)(C[5]O[5]CC){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	109.4200	0.000	1	109.4200	0.000	1	109.4200	0.000	1	109.4200	0.000	1	108.8954	6.031	243	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5]	C[6]	O[5]	2:2:3:1:	4:3:2:	4:4:	O[5]-2:O[5]-2:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-2:	C[5,6,6]-4:C[5]-4:	C[5](O[5]C[5,6,6])2(C[6]C[6]2)(H)	C[6](C[5]O[5]2H)(C[6]C[6]H)(C[6]C[6])	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[6]O[5]H)	C[5](O[5]C[5,6,6])2(C[6]C[6]2)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5]O[5]2H)(C[6]C[6]H)(C[6]C[6]){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[6]O[5]H){1|C<2>,1|C<3>,1|C<4>,2|H<1>,2|O<2>}	110.8660	0.000	1	111.1420	0.152	2	111.1420	0.152	2	111.1420	0.152	2	110.7672	2.634	54	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5]	C[6]	O[5]	2:2:3:1:	4:3:2:	4:4:	O[5]-2:O[5]-2:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-2:	C[5,6,6]-4:C[5]-4:	C[5](O[5]C[5,6,6])2(C[6]C[6]2)(H)	C[6](C[5]O[5]2H)(C[6]C[6]H)(C[6]C[6])	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[6]O[5]H)	C[5](O[5]C[5,6,6])2(C[6]C[6]2)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5]O[5]2H)(C[6]C[6]H)(C[6]C[6]){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[6]O[5]H){1|C<2>,1|C<3>,2|H<1>,3|C<4>}	111.4180	0.000	1	111.1420	0.152	2	111.1420	0.152	2	111.1420	0.152	2	110.7672	2.634	54	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5]	C[6]	O[5]	3:2:2:1:	4:3:3:	4:4:	C[6]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[5]-4:C[5]-4:	C[5](C[6]C[6]N[6])(O[5]C[5])2(H)	C[6](C[5]O[5]2H)(N[6]C[6]Re)(C[6]C[6]H)	O[5](C[5]C[6]O[5]H)(C[5]C[5]CH)	C[5](C[6]C[6]N[6])(O[5]C[5])2(H){1|Re<6>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5]O[5]2H)(N[6]C[6]Re)(C[6]C[6]H){1|C<3>,1|H<1>,3|C<4>}	O[5](C[5]C[6]O[5]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	110.3825	1.917	2	110.3825	3.675	2	110.3825	3.675	2	110.3825	3.675	2	110.7672	2.634	54	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5]	C[6]	O[5]	3:3:2:1:	4:3:3:	4:4:	C[6]-3:O[5]-3:O[5]-2:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[5]-4:C[5]-4:	C[5](C[6]C[6]N[6])(O[5]C[5]Re)(O[5]C[5])(H)	C[6](C[5]O[5]2H)(N[6]C[6]Re)(C[6]C[6]H)	O[5](C[5]C[6]O[5]H)(C[5]C[5]CH)	C[5](C[6]C[6]N[6])(O[5]C[5]Re)(O[5]C[5])(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5]O[5]2H)(N[6]C[6]Re)(C[6]C[6]H){1|C<3>,1|H<1>,3|C<4>}	O[5](C[5]C[6]O[5]H)(C[5]C[5]CH){1|Re<6>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	111.0190	0.000	1	111.0190	0.000	1	111.0190	0.000	1	111.0190	0.000	1	110.7672	2.634	54	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5]	C[6]	O[5]	3:3:2:1:	4:4:3:	4:4:	C[5,6a]-3:C[6]-3:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-3:	C[5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2)(O[5]C[5])(H)	C[6](C[5]C[5,6a]O[5]H)(C[6]C[6]CC)(C[6]C[6]C)	O[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2)(O[5]C[5])(H){2|C<3>,3|H<1>,5|C<4>}	C[6](C[5]C[5,6a]O[5]H)(C[6]C[6]CC)(C[6]C[6]C){2|C<3>,2|C<4>,4|H<1>}	O[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]HH){1|C<4>,3|C<3>}	111.6260	0.000	1	111.6260	0.000	1	111.6260	0.000	1	111.6260	0.000	1	110.7672	2.634	54	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5]	C[6]	O[5]	3:3:3:2:	4:3:3:	4:4:	C[6]-3:C[6]-3:N[5]-3:O[5]-2:	C[5]-4:N[6]-3:C[6]-3:	C[5]-4:C[5]-4:	C[5](C[6]C[6]N[6])2(N[5]C[5]O)(O[5]C[5])	C[6](C[5]C[6]N[5]O[5])(N[6]C[6]Co)(C[6]C[6]H)	O[5](C[5]C[6]2N[5])(C[5]C[5]HH)	C[5](C[6]C[6]N[6])2(N[5]C[5]O)(O[5]C[5]){1|Co<6>,2|C<4>,4|C<3>,4|H<1>}	C[6](C[5]C[6]N[5]O[5])(N[6]C[6]Co)(C[6]C[6]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6]2N[5])(C[5]C[5]HH){1|O<2>,2|C<3>,2|C<4>,2|N<3>}	111.3901	1.197	16	111.3901	1.433	16	111.6002	1.602	26	111.6002	1.602	26	110.7672	2.634	54	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5]	C[6]	O[5]	3:3:3:2:	4:3:3:	4:4:	C[6]-3:C[6]-3:N[5]-3:O[5]-2:	C[5]-4:N[6]-3:C[6]-3:	C[5]-4:C[5]-4:	C[5](C[6]C[6]N[6])2(N[5]C[5]O)(O[5]C[5])	C[6](C[5]C[6]N[5]O[5])(N[6]C[6]Fe)(C[6]C[6]H)	O[5](C[5]C[6]2N[5])(C[5]C[5]HH)	C[5](C[6]C[6]N[6])2(N[5]C[5]O)(O[5]C[5]){1|Fe<6>,2|C<4>,4|C<3>,4|H<1>}	C[6](C[5]C[6]N[5]O[5])(N[6]C[6]Fe)(C[6]C[6]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6]2N[5])(C[5]C[5]HH){1|O<2>,2|C<3>,2|C<4>,2|N<3>}	112.0827	1.308	6	112.0827	1.712	6	111.6002	1.602	26	111.6002	1.602	26	110.7672	2.634	54	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5]	C[6]	O[5]	3:3:3:2:	4:3:3:	4:4:	C[6]-3:C[6]-3:N[5]-3:O[5]-2:	C[5]-4:N[6]-3:C[6]-3:	C[5]-4:C[5]-4:	C[5](C[6]C[6]N[6])2(N[5]C[5]O)(O[5]C[5])	C[6](C[5]C[6]N[5]O[5])(N[6]C[6]Ni)(C[6]C[6]H)	O[5](C[5]C[6]2N[5])(C[5]C[5]HH)	C[5](C[6]C[6]N[6])2(N[5]C[5]O)(O[5]C[5]){1|Ni<6>,2|C<4>,4|C<3>,4|H<1>}	C[6](C[5]C[6]N[5]O[5])(N[6]C[6]Ni)(C[6]C[6]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6]2N[5])(C[5]C[5]HH){1|O<2>,2|C<3>,2|C<4>,2|N<3>}	111.7167	1.617	4	111.7167	2.614	4	111.6002	1.602	26	111.6002	1.602	26	110.7672	2.634	54	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5]	C[6]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6]-3:N[5]-4:O[5]-2:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[5]-4:C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]CdC)(O[5]C[5])(H)	C[6](C[5]N[5]O[5]H)(N[6]C[6]Cd)(C[6]C[6]H)	O[5](C[5]C[6]N[5]H)(C[5]C[5]HH)	C[5](C[6]C[6]N[6])(N[5]C[5]CdC)(O[5]C[5])(H){2|C<3>,5|H<1>}	C[6](C[5]N[5]O[5]H)(N[6]C[6]Cd)(C[6]C[6]H){1|C<3>,2|H<1>,3|C<4>}	O[5](C[5]C[6]N[5]H)(C[5]C[5]HH){1|Cd<6>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	110.6990	0.000	1	110.6990	0.000	1	109.6914	3.378	11	109.6914	3.378	11	110.7672	2.634	54	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5]	C[6]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6]-3:N[5]-4:O[5]-2:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[5]-4:C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]CoH)(O[5]C[5])(H)	C[6](C[5]N[5]O[5]H)(N[6]C[6,6a]Co)(C[6]C[6]H)	O[5](C[5]C[6]N[5]H)(C[5]C[5]HH)	C[5](C[6]C[6]N[6])(N[5]C[5]CoH)(O[5]C[5])(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5]N[5]O[5]H)(N[6]C[6,6a]Co)(C[6]C[6]H){2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6]N[5]H)(C[5]C[5]HH){1|Co<6>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	111.0170	0.000	1	111.0170	0.000	1	109.6914	3.378	11	109.6914	3.378	11	110.7672	2.634	54	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5]	C[6]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6]-3:N[5]-4:O[5]-2:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[5]-4:C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]CuH)(O[5]C[5])(H)	C[6](C[5]N[5]O[5]H)(N[6]C[6]Cu)(C[6]C[6]H)	O[5](C[5]C[6]N[5]H)(C[5]C[5]CH)	C[5](C[6]C[6]N[6])(N[5]C[5]CuH)(O[5]C[5])(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5]N[5]O[5]H)(N[6]C[6]Cu)(C[6]C[6]H){1|C<3>,2|H<1>,3|C<4>}	O[5](C[5]C[6]N[5]H)(C[5]C[5]CH){1|Cu<6>,1|C<3>,1|N<3>,3|H<1>}	110.0060	0.000	1	110.0060	0.000	1	109.6914	3.378	11	109.6914	3.378	11	110.7672	2.634	54	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5]	C[6]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6]-3:N[5]-4:O[5]-2:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[5]-4:C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]NiH)(O[5]C[5])(H)	C[6](C[5]N[5]O[5]H)(N[6]C[6,6a]Ni)(C[6]C[6]H)	O[5](C[5]C[6]N[5]H)(C[5]C[5]HH)	C[5](C[6]C[6]N[6])(N[5]C[5]NiH)(O[5]C[5])(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5]N[5]O[5]H)(N[6]C[6,6a]Ni)(C[6]C[6]H){2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6]N[5]H)(C[5]C[5]HH){1|Ni<6>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	110.4210	0.000	1	110.4210	0.000	1	109.6914	3.378	11	109.6914	3.378	11	110.7672	2.634	54	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5]	C[6]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6]-3:N[5]-4:O[5]-2:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[5]-4:C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]NiH)(O[5]C[5])(H)	C[6](C[5]N[5]O[5]H)(N[6]C[6]Ni)(C[6]C[6]H)	O[5](C[5]C[6]N[5]H)(C[5]C[5]CH)	C[5](C[6]C[6]N[6])(N[5]C[5]NiH)(O[5]C[5])(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5]N[5]O[5]H)(N[6]C[6]Ni)(C[6]C[6]H){1|C<3>,2|C<4>,3|H<1>}	O[5](C[5]C[6]N[5]H)(C[5]C[5]CH){1|Ni<6>,1|C<3>,1|N<3>,3|H<1>}	109.9540	0.000	1	109.9540	0.000	1	109.6914	3.378	11	109.6914	3.378	11	110.7672	2.634	54	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5]	C[6]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6]-3:N[5]-4:O[5]-2:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[5]-4:C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]PdC)(O[5]C[5])(H)	C[6](C[5]N[5]O[5]H)(N[6]C[6]Pd)(C[6]C[6]H)	O[5](C[5]C[6a]C[5]H)(C[5]C[6]N[5]H)	C[5](C[6]C[6]N[6])(N[5]C[5]PdC)(O[5]C[5])(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5]N[5]O[5]H)(N[6]C[6]Pd)(C[6]C[6]H){1|C<3>,2|H<1>,3|C<4>}	O[5](C[5]C[6a]C[5]H)(C[5]C[6]N[5]H){1|Pd<4>,1|H<1>,1|N<3>,2|C<4>,3|C<3>}	110.3540	1.939	2	110.3540	3.759	2	109.6914	3.378	11	109.6914	3.378	11	110.7672	2.634	54	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5]	C[6]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6]-3:N[5]-4:O[5]-2:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[5]-4:C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]PdH)(O[5]C[5])(H)	C[6](C[5]N[5]O[5]H)(N[6]C[6]Pd)(C[6]C[6]H)	O[5](C[5]C[6]N[5]H)(C[5]C[5]HH)	C[5](C[6]C[6]N[6])(N[5]C[5]PdH)(O[5]C[5])(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5]N[5]O[5]H)(N[6]C[6]Pd)(C[6]C[6]H){1|C<3>,2|C<4>,3|H<1>}	O[5](C[5]C[6]N[5]H)(C[5]C[5]HH){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	112.0080	0.000	1	112.0080	0.000	1	109.6914	3.378	11	109.6914	3.378	11	110.7672	2.634	54	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5]	C[6]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6]-3:N[5]-4:O[5]-2:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[5]-4:C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]ZnC)(O[5]C[5])(H)	C[6](C[5]N[5]O[5]H)(N[6]C[6]Zn)(C[6]C[6]H)	O[5](C[5]C[6]N[5]H)(C[5]C[5]HH)	C[5](C[6]C[6]N[6])(N[5]C[5]ZnC)(O[5]C[5])(H){2|C<3>,5|H<1>}	C[6](C[5]N[5]O[5]H)(N[6]C[6]Zn)(C[6]C[6]H){1|C<3>,2|H<1>,3|C<4>}	O[5](C[5]C[6]N[5]H)(C[5]C[5]HH){1|Zn<5>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	106.9370	1.410	2	106.9370	1.988	2	109.6914	3.378	11	109.6914	3.378	11	110.7672	2.634	54	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5]	C[6]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6]-3:N[5]-4:O[5]-2:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[5]-4:C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]ZnH)(O[5]C[5])(H)	C[6](C[5]N[5]O[5]H)(N[6]C[6,6a]Zn)(C[6]C[6]H)	O[5](C[5]C[6]N[5]H)(C[5]C[5]HH)	C[5](C[6]C[6]N[6])(N[5]C[5]ZnH)(O[5]C[5])(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5]N[5]O[5]H)(N[6]C[6,6a]Zn)(C[6]C[6]H){2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6]N[5]H)(C[5]C[5]HH){1|Zn<5>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	107.9180	0.000	1	107.9180	0.000	1	109.6914	3.378	11	109.6914	3.378	11	110.7672	2.634	54	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5]	C[6]	O[5]	4:3:2:1:	4:3:3:	4:4:	N[5,5]-4:C[6]-3:O[5]-2:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[5]-4:C[5]-4:	C[5](N[5,5]C[5,5]C[5]Fe)(C[6]C[6]N[6])(O[5]C[5])(H)	C[6](C[5]N[5,5]O[5]H)(N[6]C[6]Fe)(C[6]C[6]H)	O[5](C[5]N[5,5]C[6]H)(C[5]C[5,5]HH)	C[5](N[5,5]C[5,5]C[5]Fe)(C[6]C[6]N[6])(O[5]C[5])(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[5]N[5,5]O[5]H)(N[6]C[6]Fe)(C[6]C[6]H){1|C<3>,2|H<1>,3|C<4>}	O[5](C[5]N[5,5]C[6]H)(C[5]C[5,5]HH){1|Fe<6>,1|C<3>,1|N<3>,3|C<4>}	110.0815	1.736	4	110.0815	3.012	4	110.0815	3.012	4	109.7155	3.074	6	110.7672	2.634	54	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5]	C[6]	O[5]	4:3:2:1:	4:3:3:	4:4:	N[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[5,6]-4:C[5]-4:	C[5](N[5,6]C[5,6]C[6]Cu)(C[6]C[6]N[6])(O[5]C[5,6])(H)	C[6](C[5]N[5,6]O[5]H)(N[6]C[6]Cu)(C[6]C[6]H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5,6]C[6]H)	C[5](N[5,6]C[5,6]C[6]Cu)(C[6]C[6]N[6])(O[5]C[5,6])(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6](C[5]N[5,6]O[5]H)(N[6]C[6]Cu)(C[6]C[6]H){1|C<3>,1|H<1>,4|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5,6]C[6]H){1|Cu<6>,1|C<3>,1|C<4>,2|N<3>,4|H<1>}	110.5210	0.000	1	110.5210	0.000	1	110.5210	0.000	1	109.7155	3.074	6	110.7672	2.634	54	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5]	C[6]	O[5]	4:3:2:1:	4:3:3:	4:4:	N[5]-4:C[6]-3:O[5]-2:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[5]-4:C[5]-4:	C[5](N[5]C[6a]C[5]Pd)(C[6]C[6]N[6])(O[5]C[5])(H)	C[6](C[5]N[5]O[5]H)(N[6]C[6]Pd)(C[6]C[6]H)	O[5](C[5]C[6]N[5]H)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5]Pd)(C[6]C[6]N[6])(O[5]C[5])(H){4|C<3>,5|H<1>}	C[6](C[5]N[5]O[5]H)(N[6]C[6]Pd)(C[6]C[6]H){2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6]N[5]H)(C[5]C[5]HH){1|Pd<4>,1|N<3>,2|C<3>,2|H<1>}	107.4460	0.000	1	107.4460	0.000	1	107.4460	0.000	1	109.7155	3.074	6	110.7672	2.634	54	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5]	C[6]	O[5]	4:3:2:1:	4:3:4:	4:4:	C[5]-4:C[6]-3:O[5]-2:H-1:	C[5]-4:C[6]-3:C[6]-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(C[6]C[6]2)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(C[6]C[5,6]C)(C[6]C[6]HH)	O[5](C[5]C[5]C[6]H)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(C[6]C[6]2)(O[5]C[5])(H){2|H<1>,5|C<4>}	C[6](C[5]C[5]O[5]H)(C[6]C[5,6]C)(C[6]C[6]HH){1|O<2>,3|C<4>,5|H<1>}	O[5](C[5]C[5]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,2|H<1>}	110.2575	0.211	4	110.2575	0.044	4	110.2575	0.044	4	110.2575	0.044	4	110.7672	2.634	54	109.1558	8.166	380
474	762	976	0:SP3_SP2_SP3	C[5]	C[6]	O[5]	4:3:3:2:	4:3:2:	4:4:	C[5,5]-4:C[6a]-3:C[6]-3:O[5]-2:	C[5]-4:C[6]-3:C[6]-2:	C[5]-4:C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[6]C[6]2)(O[5]C[5])	C[6](C[5]C[5,5]C[6a]O[5])(C[6]C[6]H)(C[6]C[6])	O[5](C[5]C[5,5]C[6a]C[6])(C[5]N[5,5]C[6a]H)	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[6]C[6]2)(O[5]C[5]){1|Pd<4>,2|C<4>,5|C<3>,6|H<1>}	C[6](C[5]C[5,5]C[6a]O[5])(C[6]C[6]H)(C[6]C[6]){1|N<4>,2|C<4>,3|C<3>,3|H<1>}	O[5](C[5]C[5,5]C[6a]C[6])(C[5]N[5,5]C[6a]H){1|Pd<4>,1|C<2>,1|H<1>,2|C<4>,5|C<3>}	108.2000	0.000	1	108.2000	0.000	1	108.2000	0.000	1	108.2000	0.000	1	110.7672	2.634	54	109.1558	8.166	380
474	762	976	6:SP3_SP2_SP3	C[5,5,6]	C[6]	O[5,6]	2:3:4:3:	4:3:1:	4:4:	O[5,6]-2:C[5,5]-3:C[5]-4:C[6]-3:	C[5,5,6]-4:C[6]-3:O-1:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6](O[5,6]C[5,6])(C[5,5]C[5]2)(C[5]C[5]HH)(C[6]C[6]O)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]H)(O)	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)	C[5,5,6](O[5,6]C[5,6])(C[5,5]C[5]2)(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,7|H<1>}	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]H)(O){1|C<3>,3|C<4>,3|H<1>}	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	107.9370	0.000	1	107.9370	0.000	1	107.9370	0.000	1	107.9370	0.000	1	107.3997	0.389	19	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,5,6]	C[6]	O[5,6]	4:2:4:3:	4:3:1:	4:4:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-3:	C[5,5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5]C[3x5]C[5]H)(O[5,6]C[5,5,6])(C[5]O[5]HH)(C[6]C[6]H)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[5,6]H)(H)	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5,6]C[3x5]C[5,6]H)	C[5,5,6](C[5,5]C[3x5]C[5]H)(O[5,6]C[5,5,6])(C[5]O[5]HH)(C[6]C[6]H){1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[5,6]H)(H){2|O<2>,3|C<4>,4|H<1>}	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5,6]C[3x5]C[5,6]H){1|C<3>,2|C<4>,3|O<2>,5|H<1>}	107.6780	0.000	1	107.6780	0.000	1	107.6780	0.000	1	108.2210	0.494	3	107.3997	0.389	19	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,5,6]	C[6]	O[5,6]	4:2:4:3:	4:3:1:	4:4:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-3:	C[5,5,6]-4:C[6]-3:O-1:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6](C[5,5]C[5]2H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]O)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]H)(O)	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]C)	C[5,5,6](C[5,5]C[5]2H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]H)(O){4|C<4>,4|H<1>}	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]C){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	107.9700	0.000	1	107.9700	0.000	1	108.4925	0.546	2	108.2210	0.494	3	107.3997	0.389	19	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,5,6]	C[6]	O[5,6]	4:2:4:3:	4:3:1:	4:4:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-3:	C[5,5,6]-4:C[6]-3:O-1:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6](C[5,5]C[5]2H)(O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]O)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]H)(O)	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)	C[5,5,6](C[5,5]C[5]2H)(O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]O){1|C<3>,6|H<1>}	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]H)(O){1|O<2>,3|C<4>,4|H<1>}	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,6|H<1>}	109.0150	0.000	1	109.0150	0.000	1	108.4925	0.546	2	108.2210	0.494	3	107.3997	0.389	19	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,5,6]	C[6]	O[5,6]	4:2:4:3:	4:4:1:	4:4:	C[3x5]-4:O[5,6]-2:C[5]-4:C[6]-3:	C[5,5,6]-4:C[6]-4:O-1:	C[5,6,6]-4:C[5,5,6]-4:	C[5,5,6](C[3x5]C[5,5]2H)(O[5,6]C[5,6,6])(C[5]C[5]CO)(C[6]C[6]O)	C[6](C[5,5,6]C[3x5]O[5,6]C[5])(C[6]C[6,6]HH)(O)	O[5,6](C[5,6,6]C[5,5]C[6,6]C[6])(C[5,5,6]C[3x5]C[5]C[6])	C[5,5,6](C[3x5]C[5,5]2H)(O[5,6]C[5,6,6])(C[5]C[5]CO)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,5,6]C[3x5]O[5,6]C[5])(C[6]C[6,6]HH)(O){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	O[5,6](C[5,6,6]C[5,5]C[6,6]C[6])(C[5,5,6]C[3x5]C[5]C[6]){1|O<1>,1|O<2>,2|C<3>,5|C<4>,5|H<1>}	107.0300	0.000	2	107.0300	0.000	2	107.0300	0.000	2	107.2723	0.134	12	107.3997	0.389	19	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,5,6]	C[6]	O[5,6]	4:2:4:3:	4:4:1:	4:4:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-3:	C[5,5,6]-4:C[6]-4:O-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(C[6]C[6]O)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[5,6]HH)(O)	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5,6]C[5,5]C[5,6]C)	C[5,5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(C[6]C[6]O){3|C<4>,7|H<1>}	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[5,6]HH)(O){1|O<2>,4|C<4>,4|H<1>}	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5,6]C[5,5]C[5,6]C){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	107.1600	0.000	1	107.1600	0.000	1	107.3208	0.148	10	107.2723	0.134	12	107.3997	0.389	19	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,5,6]	C[6]	O[5,6]	4:2:4:3:	4:4:1:	4:4:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-3:	C[5,5,6]-4:C[6]-4:O-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(C[6]C[6]O)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[5,6]HH)(O)	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5,6]C[5,5]C[5,6]H)	C[5,5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,1|C<4>,8|H<1>}	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[5,6]HH)(O){1|O<2>,4|C<4>,4|H<1>}	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5,6]C[5,5]C[5,6]H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	107.9670	0.000	1	107.2716	0.193	7	107.3208	0.148	10	107.2723	0.134	12	107.3997	0.389	19	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,5,6]	C[6]	O[5,6]	4:2:4:3:	4:4:1:	4:4:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-3:	C[5,5,6]-4:C[6]-4:O-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(C[6]C[6]O)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[5,6]HH)(O)	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5,6]C[5,5]C[5,6]H)	C[5,5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(C[6]C[6]O){2|C<4>,8|H<1>}	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[5,6]HH)(O){1|O<2>,4|C<4>,4|H<1>}	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5,6]C[5,5]C[5,6]H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	107.1557	0.344	6	107.2716	0.193	7	107.3208	0.148	10	107.2723	0.134	12	107.3997	0.389	19	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,5,6]	C[6]	O[5,6]	4:2:4:3:	4:4:1:	4:4:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-3:	C[5,5,6]-4:C[6]-4:O-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,5,6])(C[5]O[5]HH)(C[6]C[6]O)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[5,6]HH)(O)	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5,6]C[5,5]C[5,6]H)	C[5,5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,5,6])(C[5]O[5]HH)(C[6]C[6]O){2|C<4>,6|H<1>}	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[5,6]HH)(O){2|O<2>,3|C<4>,4|H<1>}	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5,6]C[5,5]C[5,6]H){1|O<1>,2|O<2>,3|C<4>,5|H<1>}	107.5735	0.059	2	107.5735	0.003	2	107.3208	0.148	10	107.2723	0.134	12	107.3997	0.389	19	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,5,6]	C[6]	O[5,6]	4:3:2:4:	4:3:1:	4:4:	C[5,5,6]-4:C[6]-3:O[5,6]-2:C[5]-4:	C[5,5,6]-4:C[6,6a]-3:O-1:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]2H)(C[6]C[6,6a]O)(O[5,6]C[5,6])(C[5]O[5]HH)	C[6](C[5,5,6]C[5,5,6]O[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(O)	O[5,6](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6]C[6,6a]C[5,6]H)	C[5,5,6](C[5,5,6]C[5,6]2H)(C[6]C[6,6a]O)(O[5,6]C[5,6])(C[5]O[5]HH){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5,5,6]C[5,5,6]O[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	O[5,6](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6]C[6,6a]C[5,6]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	106.3260	0.000	1	106.3260	0.000	1	106.3260	0.000	1	107.0795	1.136	2	107.3997	0.389	19	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,5,6]	C[6]	O[5,6]	4:3:2:4:	4:3:1:	4:4:	C[5,5]-4:C[6]-3:O[5,6]-2:C[5]-4:	C[5,5,6]-4:C[6,6a]-3:O-1:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6](C[5,5]C[5]2H)(C[6]C[6,6a]O)(O[5,6]C[5,6])(C[5]C[5]HH)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(O)	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[6,6a]C[5]H)	C[5,5,6](C[5,5]C[5]2H)(C[6]C[6,6a]O)(O[5,6]C[5,6])(C[5]C[5]HH){4|C<3>,5|H<1>}	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(O){2|C<3>,4|C<4>,4|H<1>}	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[6,6a]C[5]H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	107.8330	0.000	1	107.8330	0.000	1	107.8330	0.000	1	107.0795	1.136	2	107.3997	0.389	19	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,5,6]	C[6]	O[5,6]	4:4:2:3:	4:3:1:	4:4:	C[5,6]-4:C[5,5]-4:O[5,6]-2:C[6]-3:	C[5,5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2H)(O[5,6]C[5,6])(C[6]C[6]H)	C[6](C[5,5,6]C[5,5]C[5,6]O[5,6])(C[6]C[6]H)(H)	O[5,6](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6]C[5]C[6]H)	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2H)(O[5,6]C[5,6])(C[6]C[6]H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]O[5,6])(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	O[5,6](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6]C[5]C[6]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	106.5680	0.000	1	106.5680	0.000	1	106.5680	0.000	1	106.5680	0.000	1	107.3997	0.389	19	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6,6]	C[6,6]	O[5,6]	2:3:4:4:	4:3:3:	4:4:	O[5,6]-2:C[6,6]-3:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6,6]H)(C[6]C[6]H)	O[5,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[6,6]C[5]C[6])	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH){1|Br<1>,1|C<4>,2|C<3>,5|H<1>}	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6,6]H)(C[6]C[6]H){1|O<1>,4|C<4>,4|H<1>}	O[5,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[6,6]C[5]C[6]){2|C<3>,4|C<4>,7|H<1>}	108.2170	0.000	1	108.2170	0.000	1	108.5930	0.106	3	108.5930	0.106	3	108.0263	1.532	13	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6,6]	C[6,6]	O[5,6]	2:3:4:4:	4:3:3:	4:4:	O[5,6]-2:C[6,6]-3:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6,6]H)(C[6]C[6]O)	O[5,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[6,6]C[5]C[6])	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6,6]H)(C[6]C[6]O){1|C<3>,3|C<4>,6|H<1>}	O[5,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[6,6]C[5]C[6]){3|C<3>,3|C<4>,7|H<1>}	108.7810	0.000	2	108.7810	0.000	2	108.5930	0.106	3	108.5930	0.106	3	108.0263	1.532	13	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6,6]	C[6,6]	O[5,6]	2:3:4:4:	4:3:4:	4:4:	O[5,6]-2:C[6,6]-3:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-3:C[6]-4:	C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6,6]H)(C[6]C[6]HO)	O[5,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[6,6]C[5]C[6])	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6,6]H)(C[6]C[6]HO){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	O[5,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[6,6]C[5]C[6]){2|C<3>,4|C<4>,7|H<1>}	109.2530	0.000	1	109.2530	0.000	1	109.2530	0.000	1	109.2530	0.000	1	108.0263	1.532	13	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6,6]	C[6,6]	O[5,6]	2:3:4:4:	4:4:3:	4:4:	O[5,6]-2:C[6,6]-3:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C[6]-3:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](O[5,6]C[5,6])(C[6,6]C[6]2)(C[5]C[5]CH)(C[6]C[6]CH)	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]H)	O[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)	C[5,6,6](O[5,6]C[5,6])(C[6,6]C[6]2)(C[5]C[5]CH)(C[6]C[6]CH){1|C<4>,2|C<3>,7|H<1>}	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]H){1|O<1>,4|H<1>,5|C<4>}	O[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	107.6960	0.000	1	107.6960	0.000	1	107.6960	0.000	1	107.6960	0.000	1	108.0263	1.532	13	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6,6]	C[6,6]	O[5,6]	3:2:4:2:	4:4:3:	4:4:	C[6,6]-3:O[5,6]-2:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6]-3:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[6,6]C[6,6]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5])	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	O[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)	C[5,6,6](C[6,6]C[6,6]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5]){1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	O[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	108.7260	0.102	2	108.7260	0.010	2	108.4277	0.272	3	108.4277	0.272	3	108.0263	1.532	13	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6,6]	C[6,6]	O[5,6]	3:2:4:2:	4:4:3:	4:4:	C[6,6]-3:O[5,6]-2:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6]-3:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[6,6]C[6,6]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5])	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]O)(C[6]C[6]H)	O[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)	C[5,6,6](C[6,6]C[6,6]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]O)(C[6]C[6]H){1|O<1>,4|H<1>,6|C<4>}	O[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	107.8310	0.000	1	107.8310	0.000	1	108.4277	0.272	3	108.4277	0.272	3	108.0263	1.532	13	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6,6]	C[6,6]	O[5,6]	4:2:3:4:	4:3:3:	4:4:	C[5,6]-4:O[5,6]-2:C[6,6]-3:C[5]-4:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH)	C[6,6](C[5,6,6]C[5,6]O[5,6]C[5])(C[6]C[6,6]H)(C[6]C[6]H)	O[5,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[6,6]C[5]C[6])	C[5,6,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]O[5,6]C[5])(C[6]C[6,6]H)(C[6]C[6]H){1|C<3>,4|C<4>,5|H<1>}	O[5,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[6,6]C[5]C[6]){3|C<3>,3|C<4>,7|H<1>}	106.7490	0.000	2	106.1833	0.960	3	106.6868	1.654	4	106.6868	1.654	4	108.0263	1.532	13	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6,6]	C[6,6]	O[5,6]	4:2:3:4:	4:3:3:	4:4:	C[5,6]-4:O[5,6]-2:C[6,6]-3:C[5]-4:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH)	C[6,6](C[5,6,6]C[5,6]O[5,6]C[5])(C[6]C[6,6]H)(C[6]C[6]H)	O[5,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[6,6]C[5]C[6])	C[5,6,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]O[5,6]C[5])(C[6]C[6,6]H)(C[6]C[6]H){5|C<4>,5|H<1>}	O[5,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[6,6]C[5]C[6]){2|C<3>,4|C<4>,7|H<1>}	105.0520	0.000	1	106.1833	0.960	3	106.6868	1.654	4	106.6868	1.654	4	108.0263	1.532	13	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6,6]	C[6,6]	O[5,6]	4:2:3:4:	4:3:3:	4:4:	C[5,6]-4:O[5,6]-2:C[6,6]-3:C[5]-4:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH)	C[6,6](C[5,6,6]C[5,6]O[5,6]C[5])(C[6]C[6,6]O)(C[6]C[6]H)	O[5,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[6,6]C[5]C[6])	C[5,6,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH){1|O<1>,5|H<1>,6|C<4>}	C[6,6](C[5,6,6]C[5,6]O[5,6]C[5])(C[6]C[6,6]O)(C[6]C[6]H){5|C<4>,6|H<1>}	O[5,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[6,6]C[5]C[6]){2|C<3>,4|C<4>,8|H<1>}	108.1970	0.000	1	108.1970	0.000	1	106.6868	1.654	4	106.6868	1.654	4	108.0263	1.532	13	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6,6]	C[6,6]	O[5,6]	4:2:3:4:	4:3:4:	4:4:	C[5,6]-4:O[5,6]-2:C[6,6]-3:C[5]-4:	C[5,6,6]-4:C[6]-3:C[6]-4:	C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH)	C[6,6](C[5,6,6]C[5,6]O[5,6]C[5])(C[6]C[6,6]H)(C[6]C[6]HH)	O[5,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[6,6]C[5]C[6])	C[5,6,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH){1|C<3>,5|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,6]O[5,6]C[5])(C[6]C[6,6]H)(C[6]C[6]HH){1|C<3>,4|C<4>,5|H<1>}	O[5,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[6,6]C[5]C[6]){2|C<3>,4|C<4>,7|H<1>}	109.5840	0.000	1	109.5840	0.000	1	109.5840	0.000	1	109.5840	0.000	1	108.0263	1.532	13	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6,6]	C[6]	O[5,6]	3:2:4:3:	4:3:1:	4:4:	C[5,6]-3:O[5,6]-2:C[6]-4:C[6]-3:	C[5,6,6]-4:C[6]-3:Br-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[5,6]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)(C[6]C[6]Br)	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]Br)(Br)	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[5]C[6]H)	C[5,6,6](C[5,6]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)(C[6]C[6]Br){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]Br)(Br){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[5]C[6]H){1|Br<1>,1|C<3>,1|O<1>,2|C<4>,3|H<1>}	103.9170	0.000	1	103.9170	0.000	1	103.9170	0.000	1	103.9170	0.000	1	106.2501	3.224	14	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6,6]	C[6]	O[5,6]	3:3:2:4:	4:3:1:	4:4:	C[5,6]-3:C[6]-3:O[5,6]-2:C[6]-4:	C[5,6,6]-4:C[6,6a]-3:O-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(O[5,6]C[5,6])(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6a]C[6,6a]C[6a])(O)	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[6,6a]C[5]H)	C[5,6,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(O[5,6]C[5,6])(C[6]C[6]HH){1|O<2>,2|C<3>,6|H<1>}	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6a]C[6,6a]C[6a])(O){3|C<3>,3|C<4>,3|H<1>}	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[6,6a]C[5]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	105.5990	0.000	1	105.5990	0.000	1	105.5990	0.000	1	105.5990	0.000	1	106.2501	3.224	14	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6,6]	C[6]	O[5,6]	3:4:2:3:	4:3:1:	4:4:	C[6,6a]-3:C[5,6]-4:O[5,6]-2:C[6]-3:	C[5,6,6]-4:C[6]-3:O-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[6]C[6]O)	C[6](C[5,6,6]C[6,6a]C[5,6]O[5,6])(C[6]C[6]H)(O)	O[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5,6]C[5]C[6]H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[6]C[6]O){1|C<4>,4|C<3>,6|H<1>}	C[6](C[5,6,6]C[6,6a]C[5,6]O[5,6])(C[6]C[6]H)(O){2|C<3>,2|H<1>,3|C<4>}	O[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5,6]C[5]C[6]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	107.1250	0.000	1	107.1250	0.000	1	107.1250	0.000	1	107.1250	0.000	1	106.2501	3.224	14	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6,6]	C[6]	O[5,6]	3:4:2:3:	4:4:1:	4:4:	C[6,6a]-3:C[5,6]-4:O[5,6]-2:C[6]-3:	C[5,6,6]-4:C[6]-4:O-1:	C[5,6,6]-4:C[5,5,6]-4:	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]H)(O[5,6]C[5,5,6])(C[6]C[6]O)	C[6](C[5,6,6]C[6,6a]C[5,6]O[5,6])(C[6]C[5,6]HH)(O)	O[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5,5,6]C[5,5]C[5,6]H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]H)(O[5,6]C[5,5,6])(C[6]C[6]O){2|C<3>,3|C<4>,7|H<1>}	C[6](C[5,6,6]C[6,6a]C[5,6]O[5,6])(C[6]C[5,6]HH)(O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	O[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5,5,6]C[5,5]C[5,6]H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	106.5870	0.000	1	106.5870	0.000	1	106.5870	0.000	1	106.5870	0.000	1	106.2501	3.224	14	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6,6]	C[6]	O[5,6]	4:2:3:3:	4:3:1:	4:4:	C[5,5,6]-4:O[5,6]-2:C[6]-3:C[6]-3:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]H)2	C[6](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6]C[6]C)(H)	O[5,6](C[5,6,6]C[5,5,6]C[6]2)(C[5,6]C[5,5]C[6]H)	C[5,6,6](C[5,5,6]C[5,5]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]H)2{1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	O[5,6](C[5,6,6]C[5,5,6]C[6]2)(C[5,6]C[5,5]C[6]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	108.2420	0.214	2	108.3590	0.064	3	108.3590	0.064	3	108.3590	0.064	3	106.2501	3.224	14	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6,6]	C[6]	O[5,6]	4:2:3:3:	4:3:1:	4:4:	C[5,5,6]-4:O[5,6]-2:C[6]-3:C[6]-3:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]H)2	C[6](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6]C[6]C)(H)	O[5,6](C[5,6,6]C[5,5,6]C[6]2)(C[5,6]C[5,5]C[6]H)	C[5,6,6](C[5,5,6]C[5,5]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]H)2{1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C[6](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6]C[6]C)(H){2|C<3>,3|C<4>,3|H<1>}	O[5,6](C[5,6,6]C[5,5,6]C[6]2)(C[5,6]C[5,5]C[6]H){2|C<4>,3|C<3>,5|H<1>}	108.5930	0.000	1	108.3590	0.064	3	108.3590	0.064	3	108.3590	0.064	3	106.2501	3.224	14	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6,6]	C[6]	O[5,6]	4:2:4:3:	4:3:1:	4:4:	C[5,6]-4:O[5,6]-2:C[6]-4:C[6]-3:	C[5,6,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,5]C[6]O)(O[5,6]C[5,5,6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]H)(H)	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6,6]C[5,6]C[6]2)	C[5,6,6](C[5,6]C[5,5]C[6]O)(O[5,6]C[5,5,6])(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|H<1>,5|C<4>}	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6,6]C[5,6]C[6]2){1|O<2>,2|C<3>,3|C<4>,8|H<1>}	109.4850	0.000	1	109.4850	0.000	1	109.4850	0.000	1	105.5996	3.123	7	106.2501	3.224	14	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6,6]	C[6]	O[5,6]	4:2:4:3:	4:3:1:	4:4:	C[5,6]-4:O[5,6]-2:C[6]-4:C[6]-3:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[5,6]C[3]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]O[6]H)(H)	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[5]O[6]H)	C[5,6,6](C[5,6]C[3]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,2|C<4>,2|O<2>,8|H<1>}	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]O[6]H)(H){2|H<1>,5|C<4>}	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[5]O[6]H){1|C<3>,3|C<4>,5|H<1>}	104.1120	0.000	1	104.7435	0.798	2	104.9520	0.225	6	105.5996	3.123	7	106.2501	3.224	14	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6,6]	C[6]	O[5,6]	4:2:4:3:	4:3:1:	4:4:	C[5,6]-4:O[5,6]-2:C[6]-4:C[6]-3:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[5,6]C[3]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]O[6]H)(H)	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[5]O[6]H)	C[5,6,6](C[5,6]C[3]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)(C[6]C[6]H){2|C<4>,2|O<2>,9|H<1>}	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]O[6]H)(H){2|H<1>,5|C<4>}	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[5]O[6]H){1|C<3>,3|C<4>,5|H<1>}	105.3750	0.000	1	104.7435	0.798	2	104.9520	0.225	6	105.5996	3.123	7	106.2501	3.224	14	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6,6]	C[6]	O[5,6]	4:2:4:3:	4:3:1:	4:4:	C[5,6]-4:O[5,6]-2:C[6]-4:C[6]-3:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[5,6]C[5]C[6]C)(O[5,6]C[5,6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]O[6]H)(H)	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[5]O[6]H)	C[5,6,6](C[5,6]C[5]C[6]C)(O[5,6]C[5,6])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|O<2>,8|H<1>}	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]O[6]H)(H){2|H<1>,5|C<4>}	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[5]O[6]H){1|C<3>,3|C<4>,5|H<1>}	105.0563	0.255	4	105.0563	0.065	4	104.9520	0.225	6	105.5996	3.123	7	106.2501	3.224	14	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6]	C[6,6]	O[5,6]	3:2:2:4:	4:4:2:	4:4:	C[6,6]-3:O[5,6]-2:O[5]-2:C-4:	C[5,6]-4:C[6,6]-4:N[6]-2:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6,6]C[6,6]N[6])(O[5,6]C[5,6])(O[5]O[5])(CH3)	C[6,6](C[5,6]O[5,6]O[5]C)(C[6,6]C[6a]C[6]2)(N[6]C[6,6a])	O[5,6](C[5,6]C[6,6]O[5]C)(C[5,6]C[6]O[5]C)	C[5,6](C[6,6]C[6,6]N[6])(O[5,6]C[5,6])(O[5]O[5])(CH3){2|C<3>,3|C<4>}	C[6,6](C[5,6]O[5,6]O[5]C)(C[6,6]C[6a]C[6]2)(N[6]C[6,6a]){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	O[5,6](C[5,6]C[6,6]O[5]C)(C[5,6]C[6]O[5]C){1|C<4>,1|N<2>,2|H<1>}	109.4690	0.000	1	109.4690	0.000	1	109.4690	0.000	1	109.4690	0.000	1	108.9610	0.516	2	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6]	C[6,6]	O[5,6]	3:3:2:1:	4:3:3:	4:4:	C[5,6a]-3:C[6,6]-3:O[5,6]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6,6]-3:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6a]C[6,6])(O[5,6]C[5,6])(H)	C[6,6](C[5,6]C[5,6a]O[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])	O[5,6](C[5,6]C[5,6a]C[6,6]H)(C[5,6]C[5,6a]C[6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6a]C[6,6])(O[5,6]C[5,6])(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6](C[5,6]C[5,6a]O[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]){2|C<4>,3|H<1>,5|C<3>}	O[5,6](C[5,6]C[5,6a]C[6,6]H)(C[5,6]C[5,6a]C[6]H){2|H<1>,4|C<3>}	108.4530	0.000	1	108.4530	0.000	1	108.4530	0.000	1	108.4530	0.000	1	108.9610	0.516	2	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6]	C[6]	O[5,6]	2:3:2:1:	4:3:1:	4:4:	O[5,6]-2:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]H)(O[5]C[5])(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6a]C[6])(H)	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]H)(O[5]C[5])(H){2|C<3>,3|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6a]C[6])(H){1|C<3>,1|N<2>,1|O<1>,2|C<4>}	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<3>,1|O<1>,3|H<1>}	110.1600	0.000	1	109.7597	0.129	3	109.7597	0.129	3	110.4573	0.783	18	108.6615	3.031	120	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6]	C[6]	O[5,6]	2:3:2:1:	4:3:1:	4:4:	O[5,6]-2:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]H)(O[5]C[5])(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6a]C[6])(H)	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]H)(O[5]C[5])(H){2|C<3>,3|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6a]C[6])(H){1|O<1>,2|C<3>,2|C<4>}	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<3>,1|O<1>,3|H<1>}	109.5595	0.132	2	109.7597	0.129	3	109.7597	0.129	3	110.4573	0.783	18	108.6615	3.031	120	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6]	C[6]	O[5,6]	2:3:2:1:	4:3:1:	4:4:	O[5,6]-2:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]O)(O[5]C[5])(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]C)(O)	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]O)(O[5]C[5])(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]C)(O){2|C<4>,2|H<1>}	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<3>,1|O<1>,4|H<1>}	110.6387	0.963	13	110.6387	0.928	13	110.5968	0.808	15	110.4573	0.783	18	108.6615	3.031	120	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6]	C[6]	O[5,6]	2:3:2:1:	4:3:1:	4:4:	O[5,6]-2:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]O)(O[5]C[5])(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6a]C[6])(O)	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]O)(O[5]C[5])(H){2|C<3>,3|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6a]C[6])(O){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<3>,1|O<1>,3|H<1>}	110.3245	0.011	2	110.3245	0.000	2	110.5968	0.808	15	110.4573	0.783	18	108.6615	3.031	120	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6]	C[6]	O[5,6]	2:3:2:1:	4:4:1:	4:4:	O[5,6]-2:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[5,6]O)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]O[5,6]O[5]H)(O)	O[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[6]C[5,6]O)(O[5]C[5])(H){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]O[5,6]O[5]H)(O){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	O[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H){1|O<1>,2|C<4>,3|H<1>}	108.2220	0.000	1	108.2220	0.000	1	108.2220	0.000	1	108.0625	0.051	2	108.6615	3.031	120	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6]	C[6]	O[5,6]	2:3:2:1:	4:4:1:	4:4:	O[5,6]-2:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]O)(O[5]C[5])(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(O)	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]O)(O[5]C[5])(H){1|C<4>,5|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<4>}	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	107.9030	0.000	1	107.9030	0.000	1	107.9030	0.000	1	108.0625	0.051	2	108.6615	3.031	120	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6]	C[6]	O[5,6]	2:3:2:1:	4:4:2:	4:4:	O[5,6]-2:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-4:N-2:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]N)(O[5]C[5])(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(NO)	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]N)(O[5]C[5])(H){1|C<4>,5|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(NO){2|C<4>,2|H<1>}	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<4>,1|N<2>,4|H<1>}	108.6960	0.962	13	108.6960	0.926	13	108.6960	0.926	13	108.6960	0.926	13	108.6615	3.031	120	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6]	C[6]	O[5,6]	2:3:3:1:	4:3:1:	4:4:	O[5,6]-2:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]C)(C[6]C[6]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(H)	O[5,6](C[5,6]C[5]C[6]H)2	C[5,6](O[5,6]C[5,6])(C[5]C[5]C)(C[6]C[6]H)(H){1|C<4>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O[5,6](C[5,6]C[5]C[6]H)2{1|O<2>,2|C<3>,3|H<1>}	108.5950	0.000	1	108.5950	0.000	1	108.5950	0.000	1	108.4742	0.094	4	108.6615	3.031	120	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6]	C[6]	O[5,6]	2:3:3:1:	4:3:1:	4:4:	O[5,6]-2:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]Br)(O)	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[5]C[6]H)	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]H)(C[6]C[6]O)(H){1|Br<1>,1|C<3>,2|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]Br)(O){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[5]C[6]H){1|Br<1>,1|C<3>,1|O<1>,2|C<4>,3|H<1>}	108.7670	0.000	1	108.7670	0.000	1	108.7670	0.000	1	108.4742	0.094	4	108.6615	3.031	120	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6]	C[6]	O[5,6]	2:3:3:1:	4:3:1:	4:4:	O[5,6]-2:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]H)(C[6]C[6]O)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]Br)(O)	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]H)(C[6]C[6]O)(H){1|Br<1>,1|C<3>,2|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]Br)(O){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	108.0480	0.000	1	108.0480	0.000	1	108.2675	0.096	2	108.4742	0.094	4	108.6615	3.031	120	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6]	C[6]	O[5,6]	2:3:3:1:	4:3:1:	4:4:	O[5,6]-2:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]H)(C[6]C[6]O)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(O)	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]H)(C[6]C[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H){1|O<1>,2|C<3>,2|H<1>}	108.4870	0.000	1	108.4870	0.000	1	108.2675	0.096	2	108.4742	0.094	4	108.6615	3.031	120	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6]	C[6]	O[5,6]	2:3:3:2:	4:3:1:	4:4:	O[5,6]-2:C[5]-3:C[6]-3:O-2:	C[5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,5,6])(C[5]C[5]C)(C[6]C[6]H)(OH)	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[5,6]C)(H)	O[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]O)	C[5,6](O[5,6]C[5,5,6])(C[5]C[5]C)(C[6]C[6]H)(OH){2|H<1>,3|C<4>}	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[5,6]C)(H){1|C<3>,1|H<1>,3|C<4>}	O[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]O){2|C<3>,3|C<4>,5|H<1>}	107.0785	0.127	2	107.0785	0.016	2	107.0785	0.016	2	107.0785	0.016	2	108.6615	3.031	120	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6]	C[6]	O[5,6]	2:3:3:4:	4:3:1:	4:4:	O[5,6]-2:C[6]-3:C[5]-3:C-4:	C[5,6]-4:C[6]-3:Br-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]Br)(C[5]C[5]C)(CH3)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]Br)(Br)	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]Br)(C[5]C[5]C)(CH3){1|Br<1>,1|C<3>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]Br)(Br){1|C<3>,1|O<1>,2|C<4>}	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	103.9970	0.000	1	103.9970	0.000	1	103.9970	0.000	1	103.9970	0.000	1	108.6615	3.031	120	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6]	C[6]	O[5,6]	2:3:4:1:	4:3:3:	4:4:	O[5,6]-2:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-3:N-3:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[5,6]N)(C[5]C[5]HH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[5,6]N[5,6]N[5])(NOO)	O[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[5]C[6]H)	C[5,6](O[5,6]C[5,6])(C[6]C[5,6]N)(C[5]C[5]HH)(H){2|N<3>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[5,6]N[5,6]N[5])(NOO){2|H<1>,5|C<4>}	O[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[5]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	106.7820	0.000	1	106.7820	0.000	1	106.7820	0.000	1	106.7820	0.000	1	108.6615	3.031	120	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6]	C[6]	O[5,6]	2:3:4:1:	4:4:1:	4:4:	O[5,6]-2:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[5,6]O)(C[5]O[5]HH)(H)	C[6](C[5,6]C[5,6]C[6]O[5])(C[5,6]O[5,6]C[5]H)(O)	O[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)	C[5,6](O[5,6]C[5,6])(C[6]C[5,6]O)(C[5]O[5]HH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[6]O[5])(C[5,6]O[5,6]C[5]H)(O){3|H<1>,3|O<2>,4|C<4>}	O[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	110.2410	0.000	1	110.2410	0.000	1	110.2410	0.000	1	110.2410	0.000	1	108.6615	3.031	120	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6]	C[6]	O[5,6]	2:3:4:3:	4:4:1:	4:4:	O[5,6]-2:C[6]-3:C[5]-4:N-3:	C[6,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6,6]O)(C[5]C[5]HH)(NCH)	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]O[5,6]C[5]N)(O)	O[5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5]C[6]N)	C[5,6](O[5,6]C[5,6])(C[6]C[6,6]O)(C[5]C[5]HH)(NCH){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]O[5,6]C[5]N)(O){2|C<3>,3|C<4>,4|H<1>}	O[5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5]C[6]N){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	104.6535	0.292	2	104.6535	0.085	2	103.4267	4.558	3	103.4267	4.558	3	108.6615	3.031	120	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6]	C[6]	O[5,6]	2:3:4:3:	4:4:1:	4:4:	O[5,6]-2:C[6]-3:C[5]-4:N-3:	C[6,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6,6]O)(C[5]C[5]HH)(NCH)	C[6](C[6,6]C[5a,6]C[6,6]H)(C[5,6]O[5,6]C[5]N)(O)	O[5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5]C[6]N)	C[5,6](O[5,6]C[5,6])(C[6]C[6,6]O)(C[5]C[5]HH)(NCH){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[5a,6]C[6,6]H)(C[5,6]O[5,6]C[5]N)(O){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	O[5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5]C[6]N){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	100.9730	0.000	1	100.9730	0.000	1	103.4267	4.558	3	103.4267	4.558	3	108.6615	3.031	120	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6]	C[6]	O[5,6]	2:3:4:4:	4:4:1:	4:4:	O[5,6]-2:C[6]-3:C[5]-4:C-4:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[5,6]O)(C[5]C[5]HH)(CCCH)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]O[5,6]C[5]C)(O)	O[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)	C[5,6](O[5,6]C[5,6])(C[6]C[5,6]O)(C[5]C[5]HH)(CCCH){1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]O[5,6]C[5]C)(O){4|H<1>,5|C<4>}	O[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	109.4160	0.000	1	109.4160	0.000	1	109.4160	0.000	1	109.4160	0.000	1	108.6615	3.031	120	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6]	C[6]	O[5,6]	2:4:3:1:	4:3:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[4,5,5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[4,5,5,6])(C[5]C[4,5,5]HH)(C[6]C[6]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[4,6]H)(H)	O[5,6](C[4,5,5,6]C[4,5,5]C[5,6a]C[4,6])(C[5,6]C[5]C[6]H)	C[5,6](O[5,6]C[4,5,5,6])(C[5]C[4,5,5]HH)(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[4,6]H)(H){3|C<4>,3|H<1>}	O[5,6](C[4,5,5,6]C[4,5,5]C[5,6a]C[4,6])(C[5,6]C[5]C[6]H){1|C<4>,4|C<3>,4|H<1>}	107.2030	0.000	1	107.2030	0.000	1	107.2030	0.000	1	108.8822	0.624	17	108.6615	3.031	120	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6]	C[6]	O[5,6]	2:4:3:1:	4:3:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(H)	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>}	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,6|H<1>}	108.8240	0.000	1	108.8177	0.039	3	108.8177	0.039	3	108.8822	0.624	17	108.6615	3.031	120	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6]	C[6]	O[5,6]	2:4:3:1:	4:3:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(H)	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	108.6170	0.000	1	108.8177	0.039	3	108.8177	0.039	3	108.8822	0.624	17	108.6615	3.031	120	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6]	C[6]	O[5,6]	2:4:3:1:	4:3:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(H)	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]H)(H){2|H<1>,3|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(H){1|O<2>,2|C<4>,3|H<1>}	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	109.0120	0.000	1	108.8177	0.039	3	108.8177	0.039	3	108.8822	0.624	17	108.6615	3.031	120	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6]	C[6]	O[5,6]	2:4:3:1:	4:3:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]CH)(C[6]C[6]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(H)	O[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5,6]C[5]C[6]H)	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]CH)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	O[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5,6]C[5]C[6]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	108.5180	0.000	1	108.5180	0.000	1	108.5180	0.000	1	108.8822	0.624	17	108.6615	3.031	120	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6]	C[6]	O[5,6]	2:4:3:1:	4:3:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]C)(H)	O[5,6](C[5,6]C[5]C[6]H)2	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]C)(H){2|C<4>,4|H<1>}	O[5,6](C[5,6]C[5]C[6]H)2{3|C<3>,5|H<1>}	109.2255	0.547	2	109.2255	0.299	2	109.3045	0.108	4	108.8822	0.624	17	108.6615	3.031	120	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6]	C[6]	O[5,6]	2:4:3:1:	4:3:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6a]C[6])(H)	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6a]C[6])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<3>,1|O<1>,3|H<1>}	109.3835	0.033	2	109.3835	0.001	2	109.3045	0.108	4	108.8822	0.624	17	108.6615	3.031	120	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6]	C[6]	O[5,6]	2:4:3:1:	4:3:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[5]C[5]HH)(C[6]C[6]O)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]H)(O)	O[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)	C[5,6](O[5,6]C[5,6,6])(C[5]C[5]HH)(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]H)(O){2|H<1>,3|C<4>}	O[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	108.3370	0.000	1	108.3370	0.000	1	109.4965	0.714	4	108.8822	0.624	17	108.6615	3.031	120	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6]	C[6]	O[5,6]	2:4:3:1:	4:3:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[5]O[5]CC)(C[6]C[6]O)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]H)(O)	O[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)	C[5,6](O[5,6]C[5,6,6])(C[5]O[5]CC)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]H)(O){1|O<2>,4|C<4>}	O[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	109.8830	0.419	3	109.8830	0.175	3	109.4965	0.714	4	108.8822	0.624	17	108.6615	3.031	120	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6]	C[6]	O[5,6]	2:4:3:1:	4:3:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]O)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(O)	O[5,6](C[5,6]C[5]C[6]H)2	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(O){2|H<1>,3|C<4>}	O[5,6](C[5,6]C[5]C[6]H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	107.6810	0.000	1	107.6810	0.000	1	108.4050	0.448	4	108.8822	0.624	17	108.6615	3.031	120	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6]	C[6]	O[5,6]	2:4:3:1:	4:3:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]O)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6a]C[6])(O)	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6a]C[6])(O){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<3>,1|O<1>,3|H<1>}	108.1810	0.000	1	108.6463	0.322	3	108.4050	0.448	4	108.8822	0.624	17	108.6615	3.031	120	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6]	C[6]	O[5,6]	2:4:3:1:	4:3:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]O)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6a]C[6])(O)	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6a]C[6])(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<3>,1|O<1>,3|H<1>}	108.8790	0.566	2	108.6463	0.322	3	108.4050	0.448	4	108.8822	0.624	17	108.6615	3.031	120	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6]	C[6]	O[5,6]	2:4:3:1:	4:4:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]O[5,6]C[5]H)(O)	O[5,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5]C[6]H)	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[5,6]O)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]O[5,6]C[5]H)(O){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	O[5,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5]C[6]H){1|O<1>,5|C<4>,5|H<1>}	108.5255	0.829	2	108.5255	0.688	2	108.5255	0.688	2	108.1993	0.663	3	108.6615	3.031	120	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6]	C[6]	O[5,6]	2:4:3:1:	4:4:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]O)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(O)	O[5,6](C[5,6]C[5]C[6]H)2	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]O)(H){1|C<4>,1|N<3>,4|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(O){2|C<4>,4|H<1>}	O[5,6](C[5,6]C[5]C[6]H)2{1|C<4>,1|N<3>,1|O<1>,5|H<1>}	107.5470	0.000	1	107.5470	0.000	1	107.5470	0.000	1	108.1993	0.663	3	108.6615	3.031	120	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6]	C[6]	O[5,6]	2:4:3:1:	4:4:3:	4:4:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]2)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]2H)(C[6]C[6]H)	O[5,6](C[5,6]C[5]C[6]H)2	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]2)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]2H)(C[6]C[6]H){1|O<1>,1|O<2>,3|H<1>,6|C<4>}	O[5,6](C[5,6]C[5]C[6]H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	111.4820	0.000	1	110.7635	1.032	2	110.7635	1.032	2	110.7635	1.032	2	108.6615	3.031	120	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6]	C[6]	O[5,6]	2:4:3:1:	4:4:3:	4:4:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]2)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]2H)(C[6]C[6]H)	O[5,6](C[5,6]C[5]C[6]H)2	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]2)(H){3|C<4>,5|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]2H)(C[6]C[6]H){2|O<2>,4|H<1>,6|C<4>}	O[5,6](C[5,6]C[5]C[6]H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	110.0450	0.000	1	110.7635	1.032	2	110.7635	1.032	2	110.7635	1.032	2	108.6615	3.031	120	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6]	C[6]	O[5,6]	2:4:3:2:	4:3:1:	4:4:	O[5,6]-2:C[5,5]-4:C[6]-3:C-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5,5]C[5]3)(C[6]C[6]H)(CC)	C[6](C[5,6]C[5,5]O[5,6]C)(C[6]C[6]H)(H)	O[5,6](C[5,6]C[5,5]C[6]C)(C[5,6]C[5]C[6]H)	C[5,6](O[5,6]C[5,6])(C[5,5]C[5]3)(C[6]C[6]H)(CC){1|C<3>,1|C<4>,1|O<1>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,5]O[5,6]C)(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O[5,6](C[5,6]C[5,5]C[6]C)(C[5,6]C[5]C[6]H){2|O<2>,3|C<3>,3|H<1>}	109.1760	0.062	2	109.1760	0.004	2	109.1760	0.004	2	109.1760	0.004	2	108.6615	3.031	120	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6]	C[6]	O[5,6]	2:4:3:3:	4:3:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-3:N-3:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]O)(NCH)	C[6](C[5,6]O[5,6]C[5]N)(C[6]C[6]H)(O)	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]N)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]O)(NCH){1|C<2>,2|C<3>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]N)(C[6]C[6]H)(O){2|C<4>,3|H<1>}	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]N){1|O<1>,2|C<3>,4|H<1>}	105.7025	3.246	2	105.7025	10.539	2	105.7025	10.539	2	105.7025	10.539	2	108.6615	3.031	120	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6]	C[6]	O[5,6]	2:4:3:3:	4:4:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-3:C-3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]CH)(C[6]C[6]O)(COO)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(O)	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)	C[5,6](O[5,6]C[5,6])(C[5]O[5]CH)(C[6]C[6]O)(COO){2|C<4>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	106.9020	0.000	1	106.9020	0.000	1	106.9020	0.000	1	106.9020	0.000	1	108.6615	3.031	120	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6]	C[6]	O[5,6]	2:4:3:3:	4:4:2:	4:4:	O[5,6]-2:C[5]-4:C[6]-3:C-3:	C[5,6]-4:C[6]-4:N-2:	C[5,5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]N)(COO)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(NO)	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]C)	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]N)(COO){3|C<4>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(NO){2|C<4>,4|H<1>}	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]C){1|N<2>,3|C<4>,7|H<1>}	107.2670	0.000	1	107.2670	0.000	1	107.2670	0.000	1	107.2670	0.000	1	108.6615	3.031	120	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6]	C[6]	O[5,6]	2:4:3:4:	4:3:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]H)(CHHO)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]H)(H)	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]C)	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]H)(CHHO){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>}	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]C){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	107.8610	0.000	1	107.8610	0.000	1	107.8610	0.000	1	107.8610	0.000	1	108.6615	3.031	120	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6]	C[6]	O[5,6]	3:2:2:1:	3:4:1:	4:4:	C[6]-3:O[5,6]-2:O[5]-2:H-1:	C[5a,6]-3:C[5,6]-4:O-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[5a,6]O)(O[5,6]C[5,6])(O[5]C[5])(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]O[5,6]O[5]H)(O)	O[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[6]O[5]H)	C[5,6](C[6]C[5a,6]O)(O[5,6]C[5,6])(O[5]C[5])(H){2|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]O[5,6]O[5]H)(O){1|N<3>,2|C<3>,2|C<4>}	O[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[6]O[5]H){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	111.5050	0.658	2	111.5050	0.432	2	111.5050	0.432	2	111.5050	0.432	2	108.6615	3.031	120	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6]	C[6]	O[5,6]	3:2:3:4:	4:3:1:	4:4:	C[5,6a]-3:O[5,6]-2:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6]C[6]H)(CH3)	C[6](C[5,6]C[5,6a]O[5,6]C)(C[6]C[6a]C[6])(H)	O[5,6](C[5,6]C[5,6a]C[6]C)(C[5,6]C[5,6a]C[6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6]C[6]H)(CH3){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]O[5,6]C)(C[6]C[6a]C[6])(H){1|C<4>,2|H<1>,4|C<3>}	O[5,6](C[5,6]C[5,6a]C[6]C)(C[5,6]C[5,6a]C[6]H){3|C<3>,3|H<1>}	107.1890	0.000	1	107.1890	0.000	1	107.1890	0.000	1	106.9893	1.955	3	108.6615	3.031	120	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6]	C[6]	O[5,6]	3:2:3:4:	4:3:1:	4:4:	C[5]-3:O[5,6]-2:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5]C[6a]C[5])(O[5,6]C[5,6])(C[6]C[6]H)(CCHN)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]H)(H)	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)	C[5,6](C[5]C[6a]C[5])(O[5,6]C[5,6])(C[6]C[6]H)(CCHN){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H){1|O<2>,2|C<3>,3|H<1>}	105.5020	0.000	1	106.8895	3.850	2	106.8895	3.850	2	106.9893	1.955	3	108.6615	3.031	120	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6]	C[6]	O[5,6]	3:2:3:4:	4:3:1:	4:4:	C[5]-3:O[5,6]-2:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5]C[6a]C[5])(O[5,6]C[5,6])(C[6]C[6]H)(CCHN)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]H)(H)	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)	C[5,6](C[5]C[6a]C[5])(O[5,6]C[5,6])(C[6]C[6]H)(CCHN){3|C<3>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>}	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H){1|O<1>,2|C<3>,2|H<1>}	108.2770	0.000	1	106.8895	3.850	2	106.8895	3.850	2	106.9893	1.955	3	108.6615	3.031	120	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6]	C[6]	O[5,6]	3:2:4:1:	3:4:1:	3:4:	C[6]-3:O[5,6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	N[5,6]-3:C[5,6]-4:	C[5,6](C[6]C[6,6a]O)(O[5,6]N[5,6])(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(O)	O[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)	C[5,6](C[6]C[6,6a]O)(O[5,6]N[5,6])(C[5]C[5]HH)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	108.7070	0.000	1	108.7070	0.000	1	108.7070	0.000	1	108.7070	0.000	1	108.6615	3.031	120	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6]	C[6]	O[5,6]	3:2:4:1:	3:4:1:	4:4:	C[6]-3:O[5,6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[6,6a]O)(O[5,6]C[5,6])(C[5]O[5]CC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(O)	O[5,6](C[5,6]C[6,6a]O[5]O)(C[5,6]C[5]C[6]H)	C[5,6](C[6]C[6,6a]O)(O[5,6]C[5,6])(C[5]O[5]CC)(H){1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	O[5,6](C[5,6]C[6,6a]O[5]O)(C[5,6]C[5]C[6]H){1|C<4>,1|O<1>,3|C<3>}	109.4530	0.000	1	109.4530	0.000	1	109.4530	0.000	1	109.4530	0.000	1	108.6615	3.031	120	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6]	C[6]	O[5,6]	3:2:4:1:	3:4:3:	4:4:	C[6]-3:O[5,6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C-3:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[6,6a]C)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(CHH)	O[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[6]C[6,6a]C)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(CHH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H){2|H<1>,3|C<3>}	108.4650	0.000	1	108.4650	0.000	1	108.4650	0.000	1	108.4650	0.000	1	108.6615	3.031	120	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6]	C[6]	O[5,6]	3:2:4:1:	4:4:1:	4:4:	C[6]-3:O[5,6]-2:C[5]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[5,6,6]O)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]O[5,6]C[5]H)(O)	O[5,6](C[5,6]C[5,6,6]O[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[6]C[5,6,6]O)(O[5,6]C[5,6])(C[5]O[5]HH)(H){2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]O[5,6]C[5]H)(O){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	O[5,6](C[5,6]C[5,6,6]O[5]H)(C[5,6]C[5]C[6]H){1|O<1>,2|C<4>,3|H<1>}	107.9340	0.000	1	107.9340	0.000	1	107.9340	0.000	1	107.9340	0.000	1	108.6615	3.031	120	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6]	C[6]	O[5,6]	4:2:3:1:	4:3:1:	4:4:	C[5,5,6]-4:O[5,6]-2:C[6]-3:H-1:	C[5,6]-4:C[6]-3:Br-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]2H)(O[5,6]C[5,6])(C[6]C[6]Br)(H)	C[6](C[5,6]C[5,5,6]O[5,6]H)(C[6]C[6]Br)(Br)	O[5,6](C[5,6]C[5,5,6]C[6]H)2	C[5,6](C[5,5,6]C[5,5,6]2H)(O[5,6]C[5,6])(C[6]C[6]Br)(H){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,5,6]O[5,6]H)(C[6]C[6]Br)(Br){1|H<1>,1|O<1>,3|C<4>}	O[5,6](C[5,6]C[5,5,6]C[6]H)2{1|Br<1>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	107.0020	0.000	1	107.0020	0.000	1	107.0020	0.000	1	107.8605	0.482	8	108.6615	3.031	120	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6]	C[6]	O[5,6]	4:2:3:1:	4:3:1:	4:4:	C[5,5,6]-4:O[5,6]-2:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]2H)(O[5,6]C[5,6])(C[6]C[6]O)(H)	C[6](C[5,6]C[5,5,6]O[5,6]H)(C[6]C[6]Br)(O)	O[5,6](C[5,6]C[5,5,6]C[6]H)2	C[5,6](C[5,5,6]C[5,5,6]2H)(O[5,6]C[5,6])(C[6]C[6]O)(H){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,5,6]O[5,6]H)(C[6]C[6]Br)(O){1|Br<1>,1|H<1>,3|C<4>}	O[5,6](C[5,6]C[5,5,6]C[6]H)2{1|Br<1>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	108.0360	0.000	1	108.0360	0.000	1	108.0360	0.000	1	107.8605	0.482	8	108.6615	3.031	120	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6]	C[6]	O[5,6]	4:2:3:1:	4:3:1:	4:4:	C[5,5]-4:O[5,6]-2:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]O)(O[5,6]C[5,6])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]H)(H)	O[5,6](C[5,6]C[5,5]C[6]H)2	C[5,6](C[5,5]C[5,5]C[5]O)(O[5,6]C[5,6])(C[6]C[6]H)(H){1|N<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	O[5,6](C[5,6]C[5,5]C[6]H)2{1|C<4>,2|C<3>,2|O<2>,3|H<1>}	109.1180	0.000	1	109.1180	0.000	1	109.1180	0.000	1	107.8605	0.482	8	108.6615	3.031	120	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6]	C[6]	O[5,6]	4:2:3:1:	4:3:1:	4:4:	C[5,5]-4:O[5,6]-2:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6](C[5,5]C[5,5,6]C[5]H)(O[5,6]C[5,6,6])(C[6]C[6]O)(H)	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]C)(O)	O[5,6](C[5,6,6]C[5,5,6]C[6]2)(C[5,6]C[5,5]C[6]H)	C[5,6](C[5,5]C[5,5,6]C[5]H)(O[5,6]C[5,6,6])(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]C)(O){2|H<1>,3|C<4>}	O[5,6](C[5,6,6]C[5,5,6]C[6]2)(C[5,6]C[5,5]C[6]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	107.6280	0.574	2	107.6280	0.330	2	107.6280	0.330	2	107.8605	0.482	8	108.6615	3.031	120	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6]	C[6]	O[5,6]	4:2:3:1:	4:3:1:	4:4:	C[5,5]-4:O[5,6]-2:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(H)	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]H)(O)	O[5,6](C[5,6]C[5,5]C[6]H)2	C[5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]H)(O){1|H<1>,2|C<3>,2|C<4>}	O[5,6](C[5,6]C[5,5]C[6]H)2{1|H<1>,1|O<1>,2|C<4>,3|C<3>}	108.2950	0.000	1	108.2950	0.000	1	108.2950	0.000	1	107.8605	0.482	8	108.6615	3.031	120	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6]	C[6]	O[5,6]	4:2:3:1:	4:3:1:	4:4:	C[5,6,6]-4:O[5,6]-2:C[6]-3:H-1:	C[5,6]-4:C[6]-3:Br-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[3x6]H)(O[5,6]C[5,6])(C[6]C[6]Br)(H)	C[6](C[5,6]C[5,6,6]O[5,6]H)(C[6]C[6]Br)(Br)	O[5,6](C[5,6]C[5,6,6]C[6]H)2	C[5,6](C[5,6,6]C[5,6,6]C[3x6]H)(O[5,6]C[5,6])(C[6]C[6]Br)(H){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]O[5,6]H)(C[6]C[6]Br)(Br){1|H<1>,1|O<1>,3|C<4>}	O[5,6](C[5,6]C[5,6,6]C[6]H)2{1|Br<1>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	107.2340	0.000	1	107.2340	0.000	1	107.2340	0.000	1	107.8605	0.482	8	108.6615	3.031	120	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6]	C[6]	O[5,6]	4:2:3:1:	4:3:1:	4:4:	C[5,6,6]-4:O[5,6]-2:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[3x6]H)(O[5,6]C[5,6])(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6,6]O[5,6]H)(C[6]C[6]Br)(O)	O[5,6](C[5,6]C[5,6,6]C[6]H)2	C[5,6](C[5,6,6]C[5,6,6]C[3x6]H)(O[5,6]C[5,6])(C[6]C[6]O)(H){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]O[5,6]H)(C[6]C[6]Br)(O){1|Br<1>,1|H<1>,3|C<4>}	O[5,6](C[5,6]C[5,6,6]C[6]H)2{1|Br<1>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	107.9430	0.000	1	107.9430	0.000	1	107.9430	0.000	1	107.8605	0.482	8	108.6615	3.031	120	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6]	C[6]	O[5,6]	4:2:3:1:	4:3:3:	4:4:	C[5,5]-4:O[5,6]-2:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]C)(O[5,6]C[5,6])(C[6]C[6]C)(H)	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]H)(CCH)	O[5,6](C[5,6]C[5,5]C[6]H)2	C[5,6](C[5,5]C[5,5]C[5]C)(O[5,6]C[5,6])(C[6]C[6]C)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]H)(CCH){1|O<1>,4|C<4>}	O[5,6](C[5,6]C[5,5]C[6]H)2{1|H<1>,1|O<1>,2|C<4>,3|C<3>}	110.1400	0.000	1	110.1400	0.000	1	110.1400	0.000	1	109.6555	0.469	2	108.6615	3.031	120	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6]	C[6]	O[5,6]	4:2:3:1:	4:3:3:	4:4:	C[5,6]-4:O[5,6]-2:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]O)(COO)	O[5,6](C[5,6]C[5,6]C[6]H)2	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]C)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]O)(COO){1|C<3>,2|C<4>,3|H<1>}	O[5,6](C[5,6]C[5,6]C[6]H)2{1|C<4>,3|C<3>,4|H<1>}	109.1710	0.000	1	109.1710	0.000	1	109.1710	0.000	1	109.6555	0.469	2	108.6615	3.031	120	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6]	C[6]	O[5,6]	4:2:3:1:	4:3:4:	4:4:	C[5]-4:O[5,6]-2:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5]C[5]C[6]H)(O[5,6]C[5,6])(C[6]C[6]C)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(CC[6]HH)	O[5,6](C[5,6]C[5]C[6]H)2	C[5,6](C[5]C[5]C[6]H)(O[5,6]C[5,6])(C[6]C[6]C)(H){4|C<4>,4|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(CC[6]HH){1|O<2>,2|H<1>,3|C<4>}	O[5,6](C[5,6]C[5]C[6]H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	110.1560	0.000	1	110.1560	0.000	1	110.1560	0.000	1	110.1560	0.000	1	108.6615	3.031	120	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6]	C[6]	O[5,6]	4:2:3:1:	4:4:1:	4:4:	C[3,5]-4:O[5,6]-2:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[3,5]C[3,5]2O[5])(O[5,6]C[5,6])(C[6]C[6]O)(H)	C[6](C[5,6]C[3,5]O[5,6]H)(C[6]C[6]HH)(O)	O[5,6](C[5,6]C[6a]C[6]O[5])(C[5,6]C[3,5]C[6]H)	C[5,6](C[3,5]C[3,5]2O[5])(O[5,6]C[5,6])(C[6]C[6]O)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[3,5]O[5,6]H)(C[6]C[6]HH)(O){1|O<2>,2|H<1>,3|C<4>}	O[5,6](C[5,6]C[6a]C[6]O[5])(C[5,6]C[3,5]C[6]H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	106.7285	0.180	2	106.7285	0.033	2	106.7285	0.033	2	107.4414	0.595	5	108.6615	3.031	120	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6]	C[6]	O[5,6]	4:2:3:1:	4:4:1:	4:4:	C[5,5]-4:O[5,6]-2:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(H)	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O)	O[5,6](C[5,6]C[5,5]C[6]H)2	C[5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(H){1|O<1>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O){1|C<3>,2|H<1>,3|C<4>}	O[5,6](C[5,6]C[5,5]C[6]H)2{1|C<3>,1|O<1>,2|H<1>,4|C<4>}	107.7130	0.635	2	107.7130	0.403	2	107.9167	0.326	3	107.4414	0.595	5	108.6615	3.031	120	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6]	C[6]	O[5,6]	4:2:3:1:	4:4:1:	4:4:	C[5,5]-4:O[5,6]-2:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,5]C[5,5]N[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(H)	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O)	O[5,6](C[5,6]C[5,5]C[6a]C[6])(C[5,6]C[5,5]C[6]H)	C[5,6](C[5,5]C[5,5]N[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O){1|N<3>,2|C<4>,3|H<1>}	O[5,6](C[5,6]C[5,5]C[6a]C[6])(C[5,6]C[5,5]C[6]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	108.3240	0.000	1	108.3240	0.000	1	107.9167	0.326	3	107.4414	0.595	5	108.6615	3.031	120	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6]	C[6]	O[5,6]	4:2:3:2:	4:3:1:	4:4:	C[5]-4:O[5,6]-2:C[6]-3:C-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]H)(CN)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]H)(H)	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]N)	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]H)(CN){1|N<3>,3|C<3>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]N){1|O<1>,2|C<3>,4|H<1>}	109.8025	0.538	2	109.8025	0.290	2	109.8025	0.290	2	109.8025	0.290	2	108.6615	3.031	120	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6]	C[6]	O[5,6]	4:2:3:3:	4:4:1:	4:4:	C[5,5]-4:O[5,6]-2:C[6]-3:C-3:	C[5,6]-4:C[6]-4:O-1:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]O[5])(O[5,6]C[5,5,6])(C[6]C[6]O)(COO)	C[6](C[5,6]C[5,5]O[5,6]C)(C[6]C[6]HH)(O)	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5,5]C[6]C)	C[5,6](C[5,5]C[5,5]C[5]O[5])(O[5,6]C[5,5,6])(C[6]C[6]O)(COO){2|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,5]O[5,6]C)(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5,5]C[6]C){1|C<3>,1|O<1>,2|C<4>,2|O<2>,5|H<1>}	107.2190	0.000	1	107.2190	0.000	1	107.2190	0.000	1	106.3195	0.601	4	108.6615	3.031	120	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6]	C[6]	O[5,6]	4:2:3:3:	4:4:1:	4:4:	C[5]-4:O[5,6]-2:C[6]-3:C-3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(COO)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(O)	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(COO){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,3|H<1>}	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	106.6760	0.000	1	106.6760	0.000	1	106.0197	0.362	3	106.3195	0.601	4	108.6615	3.031	120	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6]	C[6]	O[5,6]	4:2:3:3:	4:4:1:	4:4:	C[5]-4:O[5,6]-2:C[6]-3:C-3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(COO)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(O)	O[5,6](C[5,6]C[5]C[6]C)2	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(COO){2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,3|H<1>}	O[5,6](C[5,6]C[5]C[6]C)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	105.6915	0.281	2	105.6915	0.079	2	106.0197	0.362	3	106.3195	0.601	4	108.6615	3.031	120	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6]	C[6]	O[5,6]	4:3:2:1:	3:4:3:	4:4:	C[5]-4:C[6]-3:O[5,6]-2:H-1:	C[6,6a]-3:C[5,6]-4:C-3:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5]C[6a]O[5]H)(C[6]C[6,6a]C)(O[5,6]C[5,6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(CHH)	O[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[5]C[6a]O[5]H)(C[6]C[6,6a]C)(O[5,6]C[5,6])(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(CHH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H){1|H<1>,4|C<3>}	109.8332	0.311	10	109.8332	0.096	10	109.8332	0.096	10	109.8332	0.096	10	108.6615	3.031	120	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6]	C[6]	O[5,6]	4:3:2:4:	3:4:1:	4:4:	C[5]-4:C[6]-3:O[5,6]-2:C-4:	C[5a,6]-3:C[5,6]-4:O-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5]C[6a]C[5]H)(C[6]C[5a,6]O)(O[5,6]C[5,6])(CH3)	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]O[5,6]C[5]C)(O)	O[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[5]C[6]C)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[5a,6]O)(O[5,6]C[5,6])(CH3){1|O<2>,3|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]O[5,6]C[5]C)(O){1|H<1>,2|C<4>,3|C<3>}	O[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[5]C[6]C){1|O<1>,3|C<3>,3|H<1>}	108.6120	0.000	1	108.6120	0.000	1	108.6120	0.000	1	108.6120	0.000	1	108.6615	3.031	120	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6]	C[6]	O[5,6]	4:3:2:4:	4:3:1:	4:4:	C[5,5]-4:C[6]-3:O[5,6]-2:C-4:	C[5,6]-4:C[5a,6]-3:O-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,5]C[5,5]N[5]H)(C[6]C[5a,6]O)(O[5,6]C[5,6])(CH3)	C[6](C[5,6]C[5,5]O[5,6]C)(C[5a,6]C[5a,6]O[5a])(O)	O[5,6](C[5,6]C[5a,6]C[5,5]H)(C[5,6]C[5,5]C[6]C)	C[5,6](C[5,5]C[5,5]N[5]H)(C[6]C[5a,6]O)(O[5,6]C[5,6])(CH3){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,5]O[5,6]C)(C[5a,6]C[5a,6]O[5a])(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	O[5,6](C[5,6]C[5a,6]C[5,5]H)(C[5,6]C[5,5]C[6]C){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	108.1755	0.333	2	108.1755	0.111	2	108.1755	0.111	2	108.1257	0.063	3	108.6615	3.031	120	108.2723	3.114	168
474	762	976	6:SP3_SP2_SP3	C[5,6]	C[6]	O[5,6]	4:3:2:4:	4:3:1:	4:4:	C[5,6]-4:C[6]-3:O[5,6]-2:C-4:	C[5,6]-4:C[5a,6]-3:O-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[5a,6]O)(O[5,6]C[5,6])(CH3)	C[6](C[5,6]C[5,6]O[5,6]C)(C[5a,6]C[5a,6]O[5a])(O)	O[5,6](C[5,6]C[5a,6]C[5,6]H)(C[5,6]C[5,6]C[6]C)	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[5a,6]O)(O[5,6]C[5,6])(CH3){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]O[5,6]C)(C[5a,6]C[5a,6]O[5a])(O){1|H<1>,2|C<4>,3|C<3>}	O[5,6](C[5,6]C[5a,6]C[5,6]H)(C[5,6]C[5,6]C[6]C){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	108.0260	0.000	1	108.0260	0.000	1	108.0260	0.000	1	108.1257	0.063	3	108.6615	3.031	120	108.2723	3.114	168
474	762	983	0:SP3_SP1_SP2	C[5,6]	C[6]	C	2:4:3:2:	4:3:1:	4:2:	O[5,6]-2:C[5,5]-4:C[6]-3:C-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C-2:	C[5,6](O[5,6]C[5,6])(C[5,5]C[5]3)(C[6]C[6]H)(CC)	C[6](C[5,6]C[5,5]O[5,6]C)(C[6]C[6]H)(H)	C(C[5,6]C[5,5]O[5,6]C[6])(CSi)	C[5,6](O[5,6]C[5,6])(C[5,5]C[5]3)(C[6]C[6]H)(CC){1|C<3>,1|C<4>,1|O<1>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,5]O[5,6]C)(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C(C[5,6]C[5,5]O[5,6]C[6])(CSi)	112.9455	0.025	2	112.9455	0.001	2	112.9455	0.001	2	112.9455	0.001	2	109.7389	7.046	15	109.7389	7.046	15
474	762	983	0:SP3_SP1_SP2	C[5,6]	C[6]	C	3:3:4:2:	3:4:1:	4:1:	C[5,6]-3:C[6]-3:C[5]-4:C-2:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:N-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]C[5]HH)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(O)	C(C[5,6]C[5,6]C[5]C[6])(N)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]C[5]HH)(CN){1|Si<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(O){2|C<4>,3|C<3>,3|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(N)	105.9850	1.230	2	105.9850	1.514	2	105.9850	1.514	2	105.9850	1.514	2	109.7389	7.046	15	109.7389	7.046	15
474	762	983	0:SP3_SP1_SP2	C[5,6]	C[6]	C	4:2:3:2:	4:3:1:	4:1:	C[5]-4:O[5,6]-2:C[6]-3:C-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:N-1:	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]H)(CN)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]H)(H)	C(C[5,6]O[5,6]C[5]C[6])(N)	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]H)(CN){1|N<3>,3|C<3>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C(C[5,6]O[5,6]C[5]C[6])(N)	111.7465	2.797	2	111.7465	7.821	2	111.7465	7.821	2	111.7465	7.821	2	109.7389	7.046	15	109.7389	7.046	15
474	762	983	0:SP3_SP1_SP2	C[5,6]	C[6]	C	4:3:2:2:	4:3:4:	4:2:	C[5,6]-4:C[6]-3:O[5]-2:C-2:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C-2:	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]C)(O[5]C[5])(CC)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(CH3)	C(C[5,6]C[5,6]C[6]O[5])(CSi)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]C)(O[5]C[5])(CC){2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(CH3){1|O<2>,2|C<4>,3|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(CSi)	113.0390	0.000	1	113.0390	0.000	1	113.0390	0.000	1	113.0390	0.000	1	109.7389	7.046	15	109.7389	7.046	15
474	762	983	0:SP3_SP1_SP2	C[5,6]	C[6]	C	4:3:3:2:	4:4:1:	4:1:	C[5,6]-4:C[5]-3:C[6]-3:C-2:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:N-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]O)(CN)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(O)	C(C[5,6]C[5,6]C[5]C[6])(N)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]O)(CN){1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(O){2|C<3>,2|C<4>,3|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(N)	107.8985	0.786	2	108.8167	1.342	4	108.8167	1.342	4	108.8167	1.342	4	109.7389	7.046	15	109.7389	7.046	15
474	762	983	0:SP3_SP1_SP2	C[5,6]	C[6]	C	4:3:3:2:	4:4:1:	4:1:	C[5,6]-4:C[5]-3:C[6]-3:C-2:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:N-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]O)(CN)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(O)	C(C[5,6]C[5,6]C[5]C[6])(N)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]O)(CN){1|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(O){1|C<3>,3|C<4>,3|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(N)	109.7350	0.192	2	108.8167	1.342	4	108.8167	1.342	4	108.8167	1.342	4	109.7389	7.046	15	109.7389	7.046	15
474	762	983	0:SP3_SP1_SP2	C[5,6]	C[6]	C	4:4:3:2:	3:4:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-3:C-2:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:N-1:	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[6a]C[5]C)(C[6]C[6,6a]O)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(O)	C(C[5,6]C[5,6]C[5]C[6])(N)	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[6a]C[5]C)(C[6]C[6,6a]O)(CN){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(O){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C(C[5,6]C[5,6]C[5]C[6])(N)	107.4420	0.890	2	107.4420	0.791	2	107.4420	0.791	2	107.4420	0.791	2	109.7389	7.046	15	109.7389	7.046	15
474	762	983	0:SP3_SP1_SP2	C[5,6]	C[6]	C	4:4:3:2:	4:2:2:	4:1:	C[5,6]-4:C[5]-4:C[6]-3:C-2:	C[5,6]-4:O[6]-2:N-2:	C[5,6]-4:N-1:	C[5,6](C[5,6]C[5,6]C[6a]H)(C[5]C[5]HH)(C[6]O[6]N)(CN)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(NH)	C(C[5,6]C[5,6]C[5]C[6])(N)	C[5,6](C[5,6]C[5,6]C[6a]H)(C[5]C[5]HH)(C[6]O[6]N)(CN){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(NH){1|C<3>,2|C<4>,5|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(N)	110.7695	0.842	2	110.7695	0.709	2	110.7695	0.709	2	110.7695	0.709	2	109.7389	7.046	15	109.7389	7.046	15
474	762	997	0:SP3_SP2_SP3	C[5,6]	C[6]	Se[5]	3:2:2:3:	4:3:1:	4:3:	N[5]-3:Se[5]-2:Se[6]-2:C[6]-3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[5,6a]-3:	C[5,6](N[5]C[5,6a]C)(Se[5]C[5,6a])(Se[6]C[6,6a])(C[6]N[6]O)	C[6](C[5,6]Se[5]Se[6]N[5])(N[6]C[6,6a]C)(O)	Se[5](C[5,6]Se[6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])	C[5,6](N[5]C[5,6a]C)(Se[5]C[5,6a])(Se[6]C[6,6a])(C[6]N[6]O){1|C<4>,4|C<3>}	C[6](C[5,6]Se[5]Se[6]N[5])(N[6]C[6,6a]C)(O){1|C<4>,4|C<3>}	Se[5](C[5,6]Se[6]C[6]N[5])(C[5,6a]C[5,6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	108.4590	0.000	1	108.4590	0.000	1	108.4590	0.000	1	108.4590	0.000	1	108.4590	0.000	1	108.4590	0.000	1
474	762	999	0:SP3_SP2_SP3	C[5,6]	C[6]	N[5]	4:3:4:1:	4:4:1:	4:4:4:4:	C[5,6]-4:C[6]-3:N[5]-4:H-1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,5,6]O)(N[5]C[5]CC)(H)	C[6](C[5,5,6]C[5,5,6]N[5]O[5])(C[5,6]C[5,6]N[5]H)(O)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH)(CH3)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,5,6]O)(N[5]C[5]CC)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,5,6]C[5,5,6]N[5]O[5])(C[5,6]C[5,6]N[5]H)(O){2|H<1>,3|C<3>,6|C<4>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH)(CH3){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	104.3830	0.000	2	104.3830	0.000	2	104.3830	0.000	2	104.3830	0.000	2	104.3830	0.000	2	110.8067	21.180	7
474	762	999	0:SP3_SP2_SP3	C[5]	C[6]	N[5]	3:4:3:1:	4:3:3:	3:4:4:4:	C[5,6a]-3:N[5]-4:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(C[6]C[6]2)(H)	C[6](C[5]C[5,6a]N[5]H)(C[6]C[6]O)2	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6]H)(CH3)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(C[6]C[6]2)(H){1|H<1>,2|C<4>,2|O<1>,3|C<3>}	C[6](C[5]C[5,6a]N[5]H)(C[6]C[6]O)2{3|C<3>,3|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6]H)(CH3)2{1|H<1>,5|C<3>}	113.9870	0.000	1	113.9870	0.000	1	114.7635	1.206	2	114.7635	1.206	2	113.3762	2.885	5	110.8067	21.180	7
474	762	999	0:SP3_SP2_SP3	C[5]	C[6]	N[5]	3:4:3:1:	4:3:3:	3:4:4:4:	C[5,6a]-3:N[5]-4:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(C[6]C[6]2)(H)	C[6](C[5]C[5,6a]N[5]H)(C[6]N[6]O)2	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6]H)(CH3)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(C[6]C[6]2)(H){1|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[6](C[5]C[5,6a]N[5]H)(C[6]N[6]O)2{4|C<3>,4|C<4>}	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6]H)(CH3)2{1|H<1>,5|C<3>}	115.5400	0.000	1	115.5400	0.000	1	114.7635	1.206	2	114.7635	1.206	2	113.3762	2.885	5	110.8067	21.180	7
474	762	999	0:SP3_SP2_SP3	C[5]	C[6]	N[5]	3:4:4:1:	4:3:3:	4:4:4:1:	C[6]-3:N[5]-4:N[5]-4:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[5]-4:C[5]-4:S-4:H-1:	C[5](C[6]C[6]N[6])(N[5]C[5]FeH)(N[5]C[5]HS)(H)	C[6](C[5]N[5]2H)(N[6]C[6]Fe)(C[6]C[6]H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6]N[5]H)(SC[6a]OO)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]FeH)(N[5]C[5]HS)(H){3|H<1>,4|C<3>}	C[6](C[5]N[5]2H)(N[6]C[6]Fe)(C[6]C[6]H){1|C<3>,1|S<4>,3|C<4>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6]N[5]H)(SC[6a]OO)(H){1|Fe<6>,1|N<3>,2|H<1>,4|C<3>}	111.7650	0.000	1	111.7650	0.000	1	111.7650	0.000	1	111.7650	0.000	1	113.3762	2.885	5	110.8067	21.180	7
474	762	999	0:SP3_SP2_SP3	C[5]	C[6]	N[5]	4:4:3:1:	4:3:3:	4:4:4:1:	C[5]-4:N[5]-4:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:C[5]-4:C-4:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]CH)(C[6]C[6]2)(H)	C[6](C[5]C[5]N[5]H)(C[6]C[6]H)(C[6]N[6]H)	N[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(C[6]C[6]2)(H){1|C<3>,1|N<3>,6|H<1>}	C[6](C[5]C[5]N[5]H)(C[6]C[6]H)(C[6]N[6]H){1|C<3>,3|C<4>,5|H<1>}	N[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CH3)(H){2|C<3>,4|H<1>}	112.7945	1.793	2	112.7945	3.213	2	112.7945	3.213	2	112.7945	3.213	2	113.3762	2.885	5	110.8067	21.180	7
474	762	999	6:SP3_SP2_SP3	C[5,6]	C[6]	N[5,6]	4:4:3:1:	4:3:1:	4:4:1:1:	N[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](N[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[5a]C[6])(H)	N[5,6](C[5,6]C[5]C[6]H)2(H)2	C[5,6](N[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[5a]C[6])(H){1|C<3>,1|S<2>,2|C<4>,6|H<1>}	N[5,6](C[5,6]C[5]C[6]H)2(H)2{1|C<3>,7|H<1>}	108.2120	0.000	1	108.2120	0.000	1	108.2120	0.000	1	108.2120	0.000	1	107.7145	0.495	2	107.7145	0.495	2
474	762	999	6:SP3_SP2_SP3	C[5,6]	C[6]	N[5,6]	4:4:3:1:	4:3:3:	4:4:4:1:	N[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(COO)	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H)	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(COO){3|C<4>,5|H<1>}	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H){2|C<3>,6|H<1>}	107.2170	0.000	1	107.2170	0.000	1	107.2170	0.000	1	107.2170	0.000	1	107.7145	0.495	2	107.7145	0.495	2
474	770	818	0:SP3_SP2_SP2	C[5]	B	C[5]	3:3:3:1:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:B-3:H-1:	C[5]-4:N-3:N-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(BNN)(H)	B(C[5]C[5,6a]C[5]H)(NCC)(NCH)	C[5](C[5]C[5,6a]BH)(C[5]C[5,6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(BNN)(H){2|C<3>,2|H<1>}	B(C[5]C[5,6a]C[5]H)(NCC)(NCH)	C[5](C[5]C[5,6a]BH)(C[5]C[5,6a]H)(H){2|C<3>}	120.2700	0.000	1	120.2700	0.000	1	120.2700	0.000	1	120.2700	0.000	1	108.5107	45.580	13	108.5107	45.580	13
474	770	818	0:SP3_SP2_SP2	C[5]	B	C[5]	3:3:3:4:	4:4:1:	4:3:4:	C[5]-3:C[5]-3:B-3:C-4:	C[5]-4:C[5]-4:Cl-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(BC[5]Cl)(CH3)	B(C[5]C[5]2C)2(Cl)	C[5](C[5]C[5]BC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(BC[5]Cl)(CH3){2|C<4>}	B(C[5]C[5]2C)2(Cl)	C[5](C[5]C[5]BC)(C[5]C[5]C)(CH3){2|C<4>}	108.6190	7.625	4	108.6190	58.147	4	108.6190	58.147	4	108.6190	58.147	4	108.5107	45.580	13	108.5107	45.580	13
474	770	818	0:SP3_SP2_SP2	C[5]	B	C[5]	3:3:3:4:	4:4:4:	4:3:4:	C[5]-3:C[5]-3:B-3:C-4:	C[5]-4:C[5]-4:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(BC[5]C)(CH3)	B(C[5]C[5]2C)2(CH3)	C[5](C[5]C[5]BC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(BC[5]C)(CH3){2|C<4>}	B(C[5]C[5]2C)2(CH3)	C[5](C[5]C[5]BC)(C[5]C[5]C)(CH3){2|C<4>}	106.9867	5.550	8	106.9867	30.801	8	106.9867	30.801	8	106.9867	30.801	8	108.5107	45.580	13	108.5107	45.580	13
474	770	951	0:SP3_SP-NON_SP2	C[5,6]	B	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6]-4:B-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(BC[6a]2)(H)	B(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)2	H(C[5,6]C[5,5,6]C[5,6]B)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(BC[6a]2)(H){1|C<4>,5|H<1>}	B(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)2	H(C[5,6]C[5,5,6]C[5,6]B)	108.6260	0.000	1	108.6260	0.000	1	108.6260	0.000	1	108.6260	0.000	1	108.6260	0.000	1	107.9770	4.427	7
474	770	951	0:SP3_SP-NON_SP2	C[5]	B	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,6a]-3:B-3:H-1:	C[5]-4:N-3:N-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(BNN)(H)	B(C[5]C[5,6a]2H)(NCC)(NCH)	H(C[5]C[5,6a]2B)	C[5](C[5,6a]C[5,6a]C[6a])2(BNN)(H){2|H<1>,4|C<3>}	B(C[5]C[5,6a]2H)(NCC)(NCH)	H(C[5]C[5,6a]2B)	105.9550	0.000	1	105.9550	0.000	1	105.9550	0.000	1	106.2060	0.126	2	107.8688	5.214	6	107.9770	4.427	7
474	770	951	0:SP3_SP-NON_SP2	C[5]	B	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[5]-3:B-3:H-1:	C[5]-4:N-3:N-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(BNN)(H)	B(C[5]C[5,6a]C[5]H)(NCC)(NCH)	H(C[5]C[5,6a]C[5]B)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(BNN)(H){2|C<3>,2|H<1>}	B(C[5]C[5,6a]C[5]H)(NCC)(NCH)	H(C[5]C[5,6a]C[5]B)	106.4570	0.000	1	106.4570	0.000	1	106.4570	0.000	1	106.2060	0.126	2	107.8688	5.214	6	107.9770	4.427	7
474	770	951	0:SP3_SP-NON_SP2	C[5]	B	H	3:4:3:1:	4:3:1:	4:	N[5]-3:C[5]-4:B-3:H-1:	C[5]-4:B-3:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BBH)(H)	B(C[5]C[5]N[5]H)(BC[5]2)(H)	H(C[5]C[5]N[5]B)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BBH)(H){2|C<3>,2|C<4>,2|H<1>}	B(C[5]C[5]N[5]H)(BC[5]2)(H)	H(C[5]C[5]N[5]B)	108.6820	0.000	1	108.6820	0.000	1	108.6820	0.000	1	108.6820	0.000	1	107.8688	5.214	6	107.9770	4.427	7
474	770	951	0:SP3_SP-NON_SP2	C[5]	B	H	3:4:3:1:	4:3:3:	4:	B[5]-3:C[5]-4:B-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](B[5]C[6a]C[5])(C[5]C[5]HH)(BC[6a]2)(H)	B(C[5]B[5]C[5]H)(C[6a]C[6a]2)2	H(C[5]B[5]C[5]B)	C[5](B[5]C[6a]C[5])(C[5]C[5]HH)(BC[6a]2)(H){1|C<4>,2|H<1>,3|C<3>}	B(C[5]B[5]C[5]H)(C[6a]C[6a]2)2	H(C[5]B[5]C[5]B)	106.3890	0.000	1	106.3890	0.000	1	106.3890	0.000	1	106.3890	0.000	1	107.8688	5.214	6	107.9770	4.427	7
474	770	951	0:SP3_SP-NON_SP2	C[5]	B	H	4:3:3:1:	4:2:2:	4:	C[5]-4:N[5]-3:B-3:H-1:	C[5]-4:O-2:O-2:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(BOO)(H)	B(C[5]C[5]N[5]H)(OH)2	H(C[5]C[5]N[5]B)	C[5](C[5]C[5]HH)(N[5]C[5]C)(BOO)(H){4|H<1>}	B(C[5]C[5]N[5]H)(OH)2	H(C[5]C[5]N[5]B)	112.0550	0.000	1	112.0550	0.000	1	112.0550	0.000	1	112.0550	0.000	1	107.8688	5.214	6	107.9770	4.427	7
474	770	951	0:SP3_SP-NON_SP2	C[5]	B	H	4:4:3:1:	3:3:4:	4:	C[5]-4:C[5]-4:B-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]P[5]BH)(BC[6a]2)(H)	B(C[6a]C[6a]2)2(C[5]C[5]2H)	H(C[5]C[5]2B)	C[5](C[5]C[5]CH)(C[5]P[5]BH)(BC[6a]2)(H){2|C<3>,2|H<1>}	B(C[6a]C[6a]2)2(C[5]C[5]2H)	H(C[5]C[5]2B)	107.6750	0.000	1	107.6750	0.000	1	107.6750	0.000	1	107.6750	0.000	1	107.8688	5.214	6	107.9770	4.427	7
474	778	818	5:SP3_SP2_SPD5	C[5]	C[3x3,4x5,12x6]	C[5,6]	5:3:1:1:	6:6:6:5:4:	3:4:3:	C[3x3,4x5,12x6]-5:C[5,6]-3:H-1:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,4x5,12x6]-6:B[3x3,3x5,12x6]-5:C[5]-4:	N[5,6]-3:C[5]-4:C[6]-3:	C[5](C[3x3,4x5,12x6]B[3x3,3x5,12x6]B[4x3,4x5,12x6]B[5x3,3x5,11x6]2)(C[5,6]N[5,6]C[6])(H)2	C[3x3,4x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[4x3,4x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[4x3,4x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2N[5,6]H[3])(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(C[5]C[5,6]HH)	C[5,6](N[5,6]B[4x3,4x5,12x6]C[6])(C[5]C[3x3,4x5,12x6]HH)(C[6]C[6]H)	C[5](C[3x3,4x5,12x6]B[3x3,3x5,12x6]B[4x3,4x5,12x6]B[5x3,3x5,11x6]2)(C[5,6]N[5,6]C[6])(H)2{1|H<2>,2|C<3>,4|H<1>,5|B<6>}	C[3x3,4x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[4x3,4x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[4x3,4x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2N[5,6]H[3])(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(C[5]C[5,6]HH){1|B<6>,2|C<3>,6|H<1>}	C[5,6](N[5,6]B[4x3,4x5,12x6]C[6])(C[5]C[3x3,4x5,12x6]HH)(C[6]C[6]H){1|B<5>,1|C<3>,1|H<2>,2|H<1>,4|B<6>}	105.0350	0.000	1	105.0350	0.000	1	105.0350	0.000	1	105.0350	0.000	1	105.0350	0.000	1	105.0350	0.000	1
474	778	951	0:SP3_SP-NON_SPD5	C[5]	C[3,3,4,4,3x5,10x6]	H	5:4:1:1:	6:6:5:5:4:	4:	C[3,3,4,4,3x5,10x6]-5:C[5]-4:H-1:H-1:	B[4x3,4,4x5,18x6]-6:B[4x3,4,4x5,18x6]-6:C[3x3,4,5,5,9x6]-5:B[3x3,4,5,9x6]-5:C[5]-4:	C[5]-4:	C[5](C[3,3,4,4,3x5,10x6]B[4x3,4,4x5,18x6]2C[3x3,4,5,5,9x6]B[3x3,4,5,9x6])(C[5]C[5]HH)(H)2	C[3,3,4,4,3x5,10x6](B[4x3,4,4x5,18x6]B[4x3,4,4x5,19x6]C[3x3,4,5,5,9x6]B[5x3,3x5,12x6]B[5x3,3x5,14x6]H)(B[4x3,4,4x5,18x6]B[4x3,4,4x5,19x6]B[5x3,3x5,12x6]B[5x3,3x5,14x6]B[3x3,4,5,9x6]H)(C[3x3,4,5,5,9x6]B[4x3,4,4x5,18x6]B[4x3,4,4x5,19x6]B[5x3,3x5,12x6]C[5])(B[3x3,4,5,9x6]B[4x3,4,4x5,18x6]B[4x3,4,4x5,19x6]B[5x3,3x5,12x6]H)(C[5]C[5]HH)	H(C[5]C[3,3,4,4,3x5,10x6]C[5]H)	C[5](C[3,3,4,4,3x5,10x6]B[4x3,4,4x5,18x6]2C[3x3,4,5,5,9x6]B[3x3,4,5,9x6])(C[5]C[5]HH)(H)2{5|H<1>,6|B<6>}	C[3,3,4,4,3x5,10x6](B[4x3,4,4x5,18x6]B[4x3,4,4x5,19x6]C[3x3,4,5,5,9x6]B[5x3,3x5,12x6]B[5x3,3x5,14x6]H)(B[4x3,4,4x5,18x6]B[4x3,4,4x5,19x6]B[5x3,3x5,12x6]B[5x3,3x5,14x6]B[3x3,4,5,9x6]H)(C[3x3,4,5,5,9x6]B[4x3,4,4x5,18x6]B[4x3,4,4x5,19x6]B[5x3,3x5,12x6]C[5])(B[3x3,4,5,9x6]B[4x3,4,4x5,18x6]B[4x3,4,4x5,19x6]B[5x3,3x5,12x6]H)(C[5]C[5]HH){10|H<1>,2|B<6>}	H(C[5]C[3,3,4,4,3x5,10x6]C[5]H)	110.7795	0.042	2	110.7795	0.002	2	110.7795	0.002	2	110.7795	0.002	2	109.6257	1.828	4	110.3640	0.559	26
474	778	951	0:SP3_SP-NON_SPD5	C[5]	C[3,3,4,4,3x5,10x6]	H	5:4:1:1:	6:6:6:4:4:	4:	C[3,3,4,4,3x5,10x6]-5:C[5]-4:H-1:H-1:	B[4x3,4,5x5,19x6]-6:B[4x3,4,5x5,19x6]-6:B[5x3,3x5,14x6]-6:C[3,4,4,5,4x6]-4:C[5]-4:	C[5]-4:	C[5](C[3,3,4,4,3x5,10x6]B[4x3,4,5x5,19x6]2B[5x3,3x5,14x6]C[3,4,4,5,4x6])(C[5]C[5]HH)(H)2	C[3,3,4,4,3x5,10x6](B[4x3,4,5x5,19x6]B[4x3,4,4x5,15x6]B[5x3,3x5,14x6]B[5x3,3x5,17x6]B[5x3,4x5,13x6]H)2(B[5x3,3x5,14x6]B[4x3,4,5x5,19x6]2B[5x3,4x5,13x6]2H)(C[3,4,4,5,4x6]B[4x3,4,4x5,15x6]2C[5])(C[5]C[5]HH)	H(C[5]C[3,3,4,4,3x5,10x6]C[5]H)	C[5](C[3,3,4,4,3x5,10x6]B[4x3,4,5x5,19x6]2B[5x3,3x5,14x6]C[3,4,4,5,4x6])(C[5]C[5]HH)(H)2{5|H<1>,6|B<6>}	C[3,3,4,4,3x5,10x6](B[4x3,4,5x5,19x6]B[4x3,4,4x5,15x6]B[5x3,3x5,14x6]B[5x3,3x5,17x6]B[5x3,4x5,13x6]H)2(B[5x3,3x5,14x6]B[4x3,4,5x5,19x6]2B[5x3,4x5,13x6]2H)(C[3,4,4,5,4x6]B[4x3,4,4x5,15x6]2C[5])(C[5]C[5]HH){4|Br<1>,2|B<6>,6|H<1>}	H(C[5]C[3,3,4,4,3x5,10x6]C[5]H)	108.4720	0.397	2	108.4720	0.158	2	108.4720	0.158	2	108.4720	0.158	2	109.6257	1.828	4	110.3640	0.559	26
474	778	951	0:SP3_SP-NON_SPD5	C[5]	C[3x3,3x5,11x6]	H	5:4:1:1:	6:6:5:5:4:	4:	C[3x3,3x5,11x6]-5:C[5]-4:H-1:H-1:	B[5x3,3x5,5x6]-6:B[5x3,5,5,8x6]-6:B[3x3,5,5,13x6]-5:C[3x3,5,5,8x6]-5:C[5]-4:	C[5]-4:	C[5](C[3x3,3x5,11x6]B[3x3,5,5,13x6]B[5x3,3x5,5x6]B[5x3,5,5,8x6]C[3x3,5,5,8x6])(C[5]C[5]HH)(H)2	C[3x3,3x5,11x6](B[5x3,3x5,5x6]B[3x3,5,5,13x6]B[5x3,3x5,6x6]B[5x3,4x5,5x6]B[5x3,5,5,8x6]H)(B[5x3,5,5,8x6]B[6x3,4x5,13x6]B[5x3,3x5,5x6]B[5x3,4x5,5x6]C[3x3,5,5,8x6]H)(B[3x3,5,5,13x6]B[4x3,3x5,12x6]B[5x3,3x5,5x6]B[5x3,3x5,6x6]H)(C[3x3,5,5,8x6]B[6x3,4x5,13x6]B[5x3,5,5,8x6]B[3x3,5,4x6]C[5])(C[5]C[5]HH)	H(C[5]C[3x3,3x5,11x6]C[5]H)	C[5](C[3x3,3x5,11x6]B[3x3,5,5,13x6]B[5x3,3x5,5x6]B[5x3,5,5,8x6]C[3x3,5,5,8x6])(C[5]C[5]HH)(H)2{1|B<5>,1|B<7>,3|B<6>,5|H<1>}	C[3x3,3x5,11x6](B[5x3,3x5,5x6]B[3x3,5,5,13x6]B[5x3,3x5,6x6]B[5x3,4x5,5x6]B[5x3,5,5,8x6]H)(B[5x3,5,5,8x6]B[6x3,4x5,13x6]B[5x3,3x5,5x6]B[5x3,4x5,5x6]C[3x3,5,5,8x6]H)(B[3x3,5,5,13x6]B[4x3,3x5,12x6]B[5x3,3x5,5x6]B[5x3,3x5,6x6]H)(C[3x3,5,5,8x6]B[6x3,4x5,13x6]B[5x3,5,5,8x6]B[3x3,5,4x6]C[5])(C[5]C[5]HH){1|B<5>,2|B<6>,9|H<1>}	H(C[5]C[3x3,3x5,11x6]C[5]H)	110.5560	0.031	2	110.5560	0.001	2	110.5560	0.001	2	110.5560	0.001	2	110.5560	0.001	2	110.3640	0.559	26
474	778	951	0:SP3_SP-NON_SPD5	C[5]	C[3x3,3x5,4x6]	H	5:4:1:1:	6:6:5:6:4:	4:	C[3x3,3x5,4x6]-5:C[5]-4:H-1:H-1:	B[5x3,5,5,3x6]-6:B[5x3,5,5,3x6]-6:C[3x3,3x5,4x6]-5:B[3x3,5,5,4x6]-6:C[5]-4:	C[5]-4:	C[5](C[3x3,3x5,4x6]B[3x3,5,5,4x6]B[5x3,5,5,3x6]2C[3x3,3x5,4x6])(C[5]C[5]HH)(H)2	C[3x3,3x5,4x6](B[5x3,5,5,3x6]B[3x3,5,5,4x6]B[5x3,5,5,3x6]2B[6x3,6x5,6x6]H)(B[5x3,5,5,3x6]B[5x3,5,5,3x6]2B[6x3,6x5,6x6]C[3x3,3x5,4x6]H)(C[3x3,3x5,4x6]B[3x3,5,5,4x6]B[5x3,5,5,3x6]2C[5])(B[3x3,5,5,4x6]B[3x3,5,5,4x6]B[5x3,5,5,3x6]2SnH)(C[5]C[5]HH)	H(C[5]C[3x3,3x5,4x6]C[5]H)	C[5](C[3x3,3x5,4x6]B[3x3,5,5,4x6]B[5x3,5,5,3x6]2C[3x3,3x5,4x6])(C[5]C[5]HH)(H)2{1|Sn<6>,1|B<7>,4|B<6>,5|H<1>}	C[3x3,3x5,4x6](B[5x3,5,5,3x6]B[3x3,5,5,4x6]B[5x3,5,5,3x6]2B[6x3,6x5,6x6]H)(B[5x3,5,5,3x6]B[5x3,5,5,3x6]2B[6x3,6x5,6x6]C[3x3,3x5,4x6]H)(C[3x3,3x5,4x6]B[3x3,5,5,4x6]B[5x3,5,5,3x6]2C[5])(B[3x3,5,5,4x6]B[3x3,5,5,4x6]B[5x3,5,5,3x6]2SnH)(C[5]C[5]HH){3|B<6>,9|H<1>}	H(C[5]C[3x3,3x5,4x6]C[5]H)	110.4440	0.099	4	110.4440	0.010	4	110.4440	0.010	4	110.4440	0.010	4	110.4440	0.010	4	110.3640	0.559	26
474	778	951	0:SP3_SP-NON_SPD5	C[5]	C[3x3,4,3x5,14x6]	H	5:3:4:1:	6:6:6:6:4:	4:	C[3x3,4,3x5,14x6]-5:C[5,6a]-3:C[5]-4:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[5]-4:	C[5]-4:	C[5](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[5]C[5,6a]C[5]H)	H(C[5]C[3x3,4,3x5,14x6]C[5,6a]C[5])	C[5](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H){1|C<5>,2|C<3>,5|B<6>,7|H<1>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[5]C[5,6a]C[5]H){1|B<6>,1|C<4>,1|O<2>,2|C<3>,7|H<1>}	H(C[5]C[3x3,4,3x5,14x6]C[5,6a]C[5])	108.3010	0.000	1	108.3010	0.000	1	108.3010	0.000	1	108.3010	0.000	1	108.3010	0.000	1	110.3640	0.559	26
474	778	951	0:SP3_SP-NON_SPD5	C[5]	C[3x3,4,3x5,9x6]	H	5:4:1:1:	6:6:5:7:4:	4:	C[3x3,4,3x5,9x6]-5:Si[5]-4:H-1:H-1:	B[4x3,4,6x5,20x6]-6:B[5x3,4x5,15x6]-6:C[3x3,4,3x5,9x6]-5:B[6x3,7x5,24x6]-7:C[5]-4:	C[5]-4:	C[5](C[3x3,4,3x5,9x6]B[4x3,4,6x5,20x6]C[3x3,4,3x5,9x6]B[5x3,4x5,15x6]B[6x3,7x5,24x6])(Si[5]C[5]CC)(H)2	C[3x3,4,3x5,9x6](B[4x3,4,6x5,20x6]B[4x3,4,6x5,20x6]B[5x3,3x5,21x6]B[5x3,4x5,15x6]B[5x3,4x5,16x6]H)(B[5x3,4x5,15x6]B[4x3,4,6x5,20x6]B[5x3,4x5,16x6]B[5x3,4x5,17x6]B[6x3,7x5,24x6]H)(C[3x3,4,3x5,9x6]B[4x3,4,6x5,20x6]B[5x3,4x5,15x6]B[6x3,7x5,24x6]C[5])(B[6x3,7x5,24x6]C[3x3,4,3x5,9x6]B[5x3,4x5,15x6]2B[5x3,4x5,17x6]2H)(C[5]Si[5]HH)	H(C[5]C[3x3,4,3x5,9x6]Si[5]H)	C[5](C[3x3,4,3x5,9x6]B[4x3,4,6x5,20x6]C[3x3,4,3x5,9x6]B[5x3,4x5,15x6]B[6x3,7x5,24x6])(Si[5]C[5]CC)(H)2{5|H<1>,6|B<6>}	C[3x3,4,3x5,9x6](B[4x3,4,6x5,20x6]B[4x3,4,6x5,20x6]B[5x3,3x5,21x6]B[5x3,4x5,15x6]B[5x3,4x5,16x6]H)(B[5x3,4x5,15x6]B[4x3,4,6x5,20x6]B[5x3,4x5,16x6]B[5x3,4x5,17x6]B[6x3,7x5,24x6]H)(C[3x3,4,3x5,9x6]B[4x3,4,6x5,20x6]B[5x3,4x5,15x6]B[6x3,7x5,24x6]C[5])(B[6x3,7x5,24x6]C[3x3,4,3x5,9x6]B[5x3,4x5,15x6]2B[5x3,4x5,17x6]2H)(C[5]Si[5]HH){2|B<6>,2|C<4>,8|H<1>}	H(C[5]C[3x3,4,3x5,9x6]Si[5]H)	110.9013	0.018	4	110.9013	0.000	4	110.9013	0.000	4	110.9013	0.000	4	110.9013	0.000	4	110.3640	0.559	26
474	778	951	0:SP3_SP-NON_SPD5	C[5]	C[3x3,4,5,5,9x6]	H	5:4:1:1:	6:6:6:5:4:	4:	C[3x3,4,5,5,9x6]-5:C[5]-4:H-1:H-1:	B[4x3,4,4x5,18x6]-6:B[4x3,4,4x5,19x6]-6:B[5x3,3x5,12x6]-6:C[3,3,4,4,3x5,10x6]-5:C[5]-4:	C[5]-4:	C[5](C[3x3,4,5,5,9x6]C[3,3,4,4,3x5,10x6]B[4x3,4,4x5,18x6]B[4x3,4,4x5,19x6]B[5x3,3x5,12x6])(C[5]C[5]HH)(H)2	C[3x3,4,5,5,9x6](B[4x3,4,4x5,18x6]C[3,3,4,4,3x5,10x6]B[4x3,4,4x5,19x6]B[5x3,3x5,12x6]B[5x3,3x5,14x6]H)(B[4x3,4,4x5,19x6]B[4x3,4,4x5,18x6]B[5x3,3x5,12x6]B[5x3,3x5,14x6]B[5x3,4x5,10x6]H)(B[5x3,3x5,12x6]B[4x3,4,4x5,18x6]B[4x3,4,4x5,19x6]B[5x3,3x5,14x6]B[5x3,4x5,10x6]H)(C[3,3,4,4,3x5,10x6]B[4x3,4,4x5,18x6]2B[3x3,4,5,9x6]C[5])(C[5]C[5]HH)	H(C[5]C[3x3,4,5,5,9x6]C[5]H)	C[5](C[3x3,4,5,5,9x6]C[3,3,4,4,3x5,10x6]B[4x3,4,4x5,18x6]B[4x3,4,4x5,19x6]B[5x3,3x5,12x6])(C[5]C[5]HH)(H)2{1|B<5>,5|B<6>,5|H<1>}	C[3x3,4,5,5,9x6](B[4x3,4,4x5,18x6]C[3,3,4,4,3x5,10x6]B[4x3,4,4x5,19x6]B[5x3,3x5,12x6]B[5x3,3x5,14x6]H)(B[4x3,4,4x5,19x6]B[4x3,4,4x5,18x6]B[5x3,3x5,12x6]B[5x3,3x5,14x6]B[5x3,4x5,10x6]H)(B[5x3,3x5,12x6]B[4x3,4,4x5,18x6]B[4x3,4,4x5,19x6]B[5x3,3x5,14x6]B[5x3,4x5,10x6]H)(C[3,3,4,4,3x5,10x6]B[4x3,4,4x5,18x6]2B[3x3,4,5,9x6]C[5])(C[5]C[5]HH){10|H<1>,2|B<6>}	H(C[5]C[3x3,4,5,5,9x6]C[5]H)	110.7790	0.040	2	110.7790	0.002	2	110.7790	0.002	2	110.7790	0.002	2	110.7790	0.002	2	110.3640	0.559	26
474	778	951	0:SP3_SP-NON_SPD5	C[5]	C[3x3,4x5,12x6]	H	5:3:1:1:	6:6:6:5:4:	4:	C[3x3,4x5,12x6]-5:C[5,6]-3:H-1:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,4x5,12x6]-6:B[3x3,3x5,12x6]-5:C[5]-4:	C[5]-4:	C[5](C[3x3,4x5,12x6]B[3x3,3x5,12x6]B[4x3,4x5,12x6]B[5x3,3x5,11x6]2)(C[5,6]N[5,6]C[6])(H)2	C[3x3,4x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[4x3,4x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[4x3,4x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2N[5,6]H[3])(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(C[5]C[5,6]HH)	H(C[5]C[3x3,4x5,12x6]C[5,6]H)	C[5](C[3x3,4x5,12x6]B[3x3,3x5,12x6]B[4x3,4x5,12x6]B[5x3,3x5,11x6]2)(C[5,6]N[5,6]C[6])(H)2{1|H<2>,2|C<3>,4|H<1>,5|B<6>}	C[3x3,4x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[4x3,4x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[4x3,4x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2N[5,6]H[3])(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(C[5]C[5,6]HH){1|B<6>,2|C<3>,6|H<1>}	H(C[5]C[3x3,4x5,12x6]C[5,6]H)	110.7240	0.010	2	110.7240	0.000	2	110.7240	0.000	2	110.7240	0.000	2	110.7240	0.000	2	110.3640	0.559	26
474	778	951	0:SP3_SP-NON_SPD5	C[5]	C[3x3,4x5,5x6]	H	5:4:1:1:	6:6:5:6:4:	4:	C[3x3,4x5,5x6]-5:C[5]-4:H-1:H-1:	B[4x3,4x5,15x6]-6:B[5x3,5,5,9x6]-6:C[3x3,4x5,5x6]-5:B[5x3,5,5,6x6]-6:C[5]-4:	C[5]-4:	C[5](C[3x3,4x5,5x6]B[4x3,4x5,15x6]B[5x3,5,5,6x6]B[5x3,5,5,9x6]C[3x3,4x5,5x6])(C[5]C[5]HH)(H)2	C[3x3,4x5,5x6](B[4x3,4x5,15x6]B[3x3,3x5,14x6]B[5x3,3x5,7x6]B[5x3,3x5,9x6]B[5x3,5,5,9x6]H)(B[5x3,5,5,9x6]B[4x3,4x5,15x6]B[6x3,6x5,16x6]B[5x3,3x5,9x6]B[5x3,5,5,6x6]H)(C[3x3,4x5,5x6]B[4x3,4x5,15x6]B[5x3,5,5,6x6]B[5x3,5,5,9x6]C[5])(B[5x3,5,5,6x6]B[6x3,6x5,16x6]B[5x3,5,5,9x6]2C[3x3,4x5,5x6]H)(C[5]C[5]HH)	H(C[5]C[3x3,4x5,5x6]C[5]H)	C[5](C[3x3,4x5,5x6]B[4x3,4x5,15x6]B[5x3,5,5,6x6]B[5x3,5,5,9x6]C[3x3,4x5,5x6])(C[5]C[5]HH)(H)2{1|B<5>,1|B<7>,4|B<6>,5|H<1>}	C[3x3,4x5,5x6](B[4x3,4x5,15x6]B[3x3,3x5,14x6]B[5x3,3x5,7x6]B[5x3,3x5,9x6]B[5x3,5,5,9x6]H)(B[5x3,5,5,9x6]B[4x3,4x5,15x6]B[6x3,6x5,16x6]B[5x3,3x5,9x6]B[5x3,5,5,6x6]H)(C[3x3,4x5,5x6]B[4x3,4x5,15x6]B[5x3,5,5,6x6]B[5x3,5,5,9x6]C[5])(B[5x3,5,5,6x6]B[6x3,6x5,16x6]B[5x3,5,5,9x6]2C[3x3,4x5,5x6]H)(C[5]C[5]HH){1|C<3>,3|B<6>,9|H<1>}	H(C[5]C[3x3,4x5,5x6]C[5]H)	110.3515	0.088	4	110.3515	0.008	4	110.3515	0.008	4	110.3515	0.008	4	110.3515	0.008	4	110.3640	0.559	26
474	778	951	0:SP3_SP-NON_SPD5	C[5]	C[3x3,5,5,8x6]	H	5:4:1:1:	7:6:5:5:4:	4:	C[3x3,5,5,8x6]-5:C[5]-4:H-1:H-1:	B[6x3,4x5,13x6]-7:B[5x3,5,5,8x6]-6:C[3x3,3x5,11x6]-5:B[3x3,5,4x6]-5:C[5]-4:	C[5]-4:	C[5](C[3x3,5,5,8x6]B[6x3,4x5,13x6]C[3x3,3x5,11x6]B[5x3,5,5,8x6]B[3x3,5,4x6])(C[5]C[5]HH)(H)2	C[3x3,5,5,8x6](B[6x3,4x5,13x6]B[5x3,3x5,8x6]B[5x3,4x5,5x6]B[5x3,5,5,8x6]B[3x3,5,4x6]B[5x3,5,7x6]H)(B[5x3,5,5,8x6]B[6x3,4x5,13x6]C[3x3,3x5,11x6]B[5x3,3x5,5x6]B[5x3,4x5,5x6]H)(C[3x3,3x5,11x6]B[3x3,5,5,13x6]B[5x3,3x5,5x6]B[5x3,5,5,8x6]C[5])(B[3x3,5,4x6]B[6x3,4x5,13x6]B[3,3,5,6,6]B[5x3,5,7x6]H)(C[5]C[5]HH)	H(C[5]C[3x3,5,5,8x6]C[5]H)	C[5](C[3x3,5,5,8x6]B[6x3,4x5,13x6]C[3x3,3x5,11x6]B[5x3,5,5,8x6]B[3x3,5,4x6])(C[5]C[5]HH)(H)2{2|B<5>,4|B<6>,5|H<1>}	C[3x3,5,5,8x6](B[6x3,4x5,13x6]B[5x3,3x5,8x6]B[5x3,4x5,5x6]B[5x3,5,5,8x6]B[3x3,5,4x6]B[5x3,5,7x6]H)(B[5x3,5,5,8x6]B[6x3,4x5,13x6]C[3x3,3x5,11x6]B[5x3,3x5,5x6]B[5x3,4x5,5x6]H)(C[3x3,3x5,11x6]B[3x3,5,5,13x6]B[5x3,3x5,5x6]B[5x3,5,5,8x6]C[5])(B[3x3,5,4x6]B[6x3,4x5,13x6]B[3,3,5,6,6]B[5x3,5,7x6]H)(C[5]C[5]HH){10|H<1>,1|C<3>,2|B<6>}	H(C[5]C[3x3,5,5,8x6]C[5]H)	110.6110	0.016	2	110.6110	0.000	2	110.6110	0.000	2	110.6110	0.000	2	110.6110	0.000	2	110.3640	0.559	26
474	778	951	0:SP3_SP-NON_SPD5	C[5]	C[3x3,5x5,13x6]	H	5:4:1:1:	6:6:5:6:4:	4:	C[3x3,5x5,13x6]-5:C[5]-4:H-1:H-1:	B[4x3,5x5,18x6]-6:B[5x3,3x5,15x6]-6:C[3x3,5x5,13x6]-5:B[5x3,3x5,14x6]-6:C[5]-4:	C[5]-4:	C[5](C[3x3,5x5,13x6]B[4x3,5x5,18x6]B[5x3,3x5,14x6]B[5x3,3x5,15x6]C[3x3,5x5,13x6])(C[5]C[5]HH)(H)2	C[3x3,5x5,13x6](B[4x3,5x5,18x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]B[3,3,5,5,6x6]H)(B[5x3,3x5,15x6]B[4x3,5x5,18x6]B[5x3,3x5,14x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(C[3x3,5x5,13x6]B[4x3,5x5,18x6]B[5x3,3x5,14x6]B[5x3,3x5,15x6]C[5])(B[5x3,3x5,14x6]B[5x3,3x5,15x6]2C[3x3,5x5,13x6]B[5x3,5x5,8x6]H)(C[5]C[5]HH)	H(C[5]C[3x3,5x5,13x6]C[5]H)	C[5](C[3x3,5x5,13x6]B[4x3,5x5,18x6]B[5x3,3x5,14x6]B[5x3,3x5,15x6]C[3x3,5x5,13x6])(C[5]C[5]HH)(H)2{1|B<5>,5|B<6>,5|H<1>}	C[3x3,5x5,13x6](B[4x3,5x5,18x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]B[3,3,5,5,6x6]H)(B[5x3,3x5,15x6]B[4x3,5x5,18x6]B[5x3,3x5,14x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(C[3x3,5x5,13x6]B[4x3,5x5,18x6]B[5x3,3x5,14x6]B[5x3,3x5,15x6]C[5])(B[5x3,3x5,14x6]B[5x3,3x5,15x6]2C[3x3,5x5,13x6]B[5x3,5x5,8x6]H)(C[5]C[5]HH){10|H<1>,1|B<6>,1|C<3>}	H(C[5]C[3x3,5x5,13x6]C[5]H)	110.5340	0.000	1	110.5340	0.000	1	110.5340	0.000	1	110.5340	0.000	1	110.5340	0.000	1	110.3640	0.559	26
474	786	818	0:SP3_SP2_SP3	C[5,5]	B[5]	C[5]	4:3:3:1:	4:4:3:3:	4:3:1:	B[5]-4:C[5,5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:H-1:	C[5,5](B[5]C[6a]2C[5])(C[5,5]C[5]2)(C[5]N[5]H)(H)	B[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)2	C[5](C[5,5]C[5,5]B[5]H)(N[5]C[5]C)(H)	C[5,5](B[5]C[6a]2C[5])(C[5,5]C[5]2)(C[5]N[5]H)(H){1|C<4>,3|H<1>,6|C<3>}	B[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)2{1|C<4>,1|H<1>,1|N<3>,4|F<1>,7|C<3>}	C[5](C[5,5]C[5,5]B[5]H)(N[5]C[5]C)(H){1|C<4>,2|H<1>,3|C<3>}	126.7090	0.355	2	126.7090	0.126	2	126.7090	0.126	2	126.7090	0.126	2	119.9615	60.762	4	119.9615	60.762	4
474	786	818	0:SP3_SP2_SP3	C[5,5]	B[5]	C[5]	4:4:3:1:	4:3:3:3:	4:3:1:	B[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:H-1:	C[5,5](B[5]C[6a]2C[5])(C[5,5]C[5]2H)(C[5]C[5]H)(H)	B[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)2(C[5]C[5]C)	C[5](C[5,5]C[5,5]B[5]H)(C[5]C[5]C)(H)	C[5,5](B[5]C[6a]2C[5])(C[5,5]C[5]2H)(C[5]C[5]H)(H){1|C<4>,2|H<1>,6|C<3>}	B[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)2(C[5]C[5]C){1|C<4>,2|H<1>,4|F<1>,6|C<3>}	C[5](C[5,5]C[5,5]B[5]H)(C[5]C[5]C)(H){3|H<1>,4|C<3>}	113.2140	0.212	2	113.2140	0.045	2	113.2140	0.045	2	113.2140	0.045	2	119.9615	60.762	4	119.9615	60.762	4
474	786	818	5:SP3_SP2_SP3	C[5,5,6]	B[5,5]	C[5,6]	4:3:3:3:	4:4:3:3:	4:3:3:	B[5,5]-4:C[5,6]-3:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:C[5]-3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,5,6](B[5,5]C[5,5,6]C[6a]C[5])(C[5,6]C[5,6]C[6a])2(C[6a]C[6a]2)	B[5,5](C[5,5,6]C[5,6]2C[6a])2(C[6a]C[6a]2)(C[5]N[5]2)	C[5,6](C[5,5,6]B[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[5,5,6](B[5,5]C[5,5,6]C[6a]C[5])(C[5,6]C[5,6]C[6a])2(C[6a]C[6a]2){11|C<3>,2|H<1>,2|N<3>}	B[5,5](C[5,5,6]C[5,6]2C[6a])2(C[6a]C[6a]2)(C[5]N[5]2){12|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]B[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){11|C<3>,2|H<1>}	98.1217	2.405	4	98.1217	5.785	4	98.1217	5.785	4	98.1217	5.785	4	98.1217	5.785	4	101.9499	21.217	17
474	786	818	5:SP3_SP2_SP3	C[5,5]	B[5]	C[5,5]	3:4:3:1:	4:3:3:3:	4:3:3:	C[5,6a]-3:B[5]-4:C[5,5]-3:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:O[5]-3:	C[5,5]-4:C[5]-3:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]2O[5])(C[5,5]C[5]2)(H)	B[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)2(O[5]C[5]Li)	C[5,5](C[5,5]C[5,6a]B[5]H)(C[5]C[5,6a]C)(C[5]O[5]C)	C[5,5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]2O[5])(C[5,5]C[5]2)(H){1|Li<3>,1|C<4>,1|H<1>,7|C<3>}	B[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)2(O[5]C[5]Li){1|F<2>,3|F<1>,8|C<3>}	C[5,5](C[5,5]C[5,6a]B[5]H)(C[5]C[5,6a]C)(C[5]O[5]C){1|Li<3>,4|C<3>}	95.7501	0.000	1	95.7501	0.000	1	95.7501	0.000	1	95.7501	0.000	1	100.8077	19.354	3	101.9499	21.217	17
474	786	818	5:SP3_SP2_SP3	C[5,5]	B[5]	C[5,5]	4:3:3:1:	4:4:3:3:	4:3:4:	B[5]-4:C[5,5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[5]-4:	C[5,5](B[5]C[6a]2C[5])(C[5,5]C[5]2)(C[5]N[5]H)(H)	B[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)2	C[5,5](C[5,5]B[5]C[5]H)(C[5]C[6a]C[5])(C[5]N[5]HH)	C[5,5](B[5]C[6a]2C[5])(C[5,5]C[5]2)(C[5]N[5]H)(H){1|C<4>,3|H<1>,6|C<3>}	B[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)2{1|C<4>,1|H<1>,1|N<3>,4|F<1>,7|C<3>}	C[5,5](C[5,5]B[5]C[5]H)(C[5]C[6a]C[5])(C[5]N[5]HH){1|C<4>,2|H<1>,5|C<3>}	103.3365	0.582	2	103.3365	0.339	2	103.3365	0.339	2	103.3365	0.339	2	100.8077	19.354	3	101.9499	21.217	17
474	786	818	5:SP3_SP2_SP3	C[5,6]	B[5,6]	C[5]	4:3:3:3:	4:3:4:3:	4:3:3:	B[5,6]-4:C[6,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:N[6,6]-3:C[5]-4:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6](B[5,6]N[6,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	B[5,6](C[5,6]C[6,6a]C[6a]C[5])(N[6,6]C[6,6]C[6])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	C[5](C[5,6]C[6,6a]B[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,6](B[5,6]N[6,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){11|C<3>,1|N<2>,4|H<1>}	B[5,6](C[5,6]C[6,6a]C[6a]C[5])(N[6,6]C[6,6]C[6])(C[5]C[6a]C[5]H)(C[6a]C[6a]2){12|C<3>,3|H<1>}	C[5](C[5,6]C[6,6a]B[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){10|C<3>,1|N<3>,3|H<1>}	101.0790	0.000	1	101.5467	0.186	3	101.5467	0.186	3	101.5467	0.186	3	101.5467	0.186	3	101.9499	21.217	17
474	786	818	5:SP3_SP2_SP3	C[5,6]	B[5,6]	C[5]	4:3:3:3:	4:3:4:3:	4:3:3:	B[5,6]-4:C[6,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:N[6,6]-3:C[5]-4:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6](B[5,6]N[6,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	B[5,6](C[5,6]C[6,6a]C[6a]C[5])(N[6,6]C[6,6]C[6])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	C[5](C[5,6]C[6,6a]B[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,6](B[5,6]N[6,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){12|C<3>,4|H<1>}	B[5,6](C[5,6]C[6,6a]C[6a]C[5])(N[6,6]C[6,6]C[6])(C[5]C[6a]C[5]H)(C[6a]C[6a]2){12|C<3>,3|H<1>}	C[5](C[5,6]C[6,6a]B[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){10|C<3>,1|N<3>,3|H<1>}	101.7805	0.210	2	101.5467	0.186	3	101.5467	0.186	3	101.5467	0.186	3	101.5467	0.186	3	101.9499	21.217	17
474	786	818	5:SP3_SP2_SP3	C[5,6]	B[5]	C[5,6]	4:3:3:1:	3:4:3:3:	3:4:3:	B[5]-4:C[5,6]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6](B[5]C[5,6a]C[6a]2)(C[5,6]C[5,6a]C[6])(C[6]C[5,6]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]B[5]C[6]H)(C[6]C[5,6]H)	C[5,6](B[5]C[5,6a]C[6a]2)(C[5,6]C[5,6a]C[6])(C[6]C[5,6]H)(H){1|C<4>,1|H<1>,7|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)2{2|H<1>,4|C<4>,8|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]B[5]C[6]H)(C[6]C[5,6]H){1|B<4>,3|H<1>,5|C<3>}	102.2580	0.000	1	102.2580	0.000	1	102.2580	0.000	1	102.2580	0.000	1	102.2580	0.000	1	101.9499	21.217	17
474	786	818	5:SP3_SP2_SP3	C[5]	B[5,6]	C[5]	4:3:3:1:	4:3:4:3:	4:3:3:	B[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5,6]-4:N[6,6]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5](B[5,6]C[5,6]N[6,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(H)	B[5,6](C[5,6]C[6,6a]C[6a]C[5])(N[6,6]C[6,6]C[6])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	C[5](C[5]B[5,6]C[6a]H)(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	C[5](B[5,6]C[5,6]N[6,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(H){11|C<3>,2|H<1>}	B[5,6](C[5,6]C[6,6a]C[6a]C[5])(N[6,6]C[6,6]C[6])(C[5]C[6a]C[5]H)(C[6a]C[6a]2){12|C<3>,3|H<1>}	C[5](C[5]B[5,6]C[6a]H)(C[5]C[5,6]C[6a])(C[6a]C[6a]2){1|N<3>,2|H<1>,9|C<3>}	102.5063	0.382	3	102.5063	0.146	3	102.5063	0.146	3	102.5063	0.146	3	102.5063	0.146	3	101.9499	21.217	17
474	786	818	5:SP3_SP2_SP3	C[5]	B[5]	C[5]	4:3:3:1:	4:3:3:4:	4:3:3:	B[5]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:S[5]-3:C[6a]-3:	C[5](B[5]C[6a]2C[5])(C[5]C[6a]S[5])(C[6a]C[6a]2)(H)	B[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(C[5]S[5]HH)	C[5](C[5]C[6a]B[5]H)(S[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](B[5]C[6a]2C[5])(C[5]C[6a]S[5])(C[6a]C[6a]2)(H){4|H<1>,9|C<3>}	B[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(C[5]S[5]HH){4|F<1>,8|C<3>}	C[5](C[5]C[6a]B[5]H)(S[5]C[6a]C[5])(C[6a]C[6a]2){4|H<1>,8|C<3>}	116.5360	0.000	1	116.5360	0.000	1	116.5360	0.000	1	116.5360	0.000	1	107.9403	55.520	3	101.9499	21.217	17
474	786	818	5:SP3_SP2_SP3	C[5]	B[5]	C[5]	4:3:3:1:	4:4:3:3:	3:4:3:	B[5]-4:C[5]-3:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-3:C[5]-4:C[6a]-3:	C[5](B[5]C[5,5]C[6a]2)(C[5]C[5,5]C[6a])(C[6a]C[6a]2)(H)	B[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)2	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]B[5]H)(C[6a]C[6a]2)	C[5](B[5]C[5,5]C[6a]2)(C[5]C[5,5]C[6a])(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,2|F<1>,9|C<3>}	B[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)2{1|C<4>,1|H<1>,1|N<3>,4|F<1>,7|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]B[5]H)(C[6a]C[6a]2){1|N<3>,5|H<1>,7|C<3>}	103.6425	0.460	2	103.6425	0.212	2	103.6425	0.212	2	103.6425	0.212	2	107.9403	55.520	3	101.9499	21.217	17
474	786	830	0:SP3_SP-NON_SP3	C[5]	B[5,5]	F	4:4:1:1:	3:4:2:2:	4:	B[5,5]-4:N[5]-4:F-1:F-1:	C[5,6a]-3:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:	C[5](B[5,5]C[5,6a]O[5]2)(N[5]C[5,6a]CC)(F)2	B[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]FF)(O[5]C[5])2	F(C[5]B[5,5]N[5]F)	C[5](B[5,5]C[5,6a]O[5]2)(N[5]C[5,6a]CC)(F)2{2|C<3>,2|C<4>}	B[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]FF)(O[5]C[5])2{1|H<1>,2|C<3>,6|C<4>}	F(C[5]B[5,5]N[5]F)	117.1785	6.789	2	117.1785	46.090	2	117.1785	46.090	2	117.1785	46.090	2	117.1785	46.090	2	117.1785	46.090	2
474	786	880	0:SP3_SP3_SP3	C[5]	B[5]	Si	4:4:4:1:	4:3:3:3:	4:4:4:4:	B[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C-4:C-4:C-4:	C[5](B[5]C[6a]2N[5])(C[5]P[5]HH)(SiC3)(H)	B[5](C[5]C[5]SiH)(C[6a]C[6a]2)2(N[5]P[5]O)	Si(C[5]B[5]C[5]H)(CH3)3	C[5](B[5]C[6a]2N[5])(C[5]P[5]HH)(SiC3)(H){1|O<1>,6|C<3>}	B[5](C[5]C[5]SiH)(C[6a]C[6a]2)2(N[5]P[5]O){2|H<1>,4|F<1>,6|C<3>}	Si(C[5]B[5]C[5]H)(CH3)3	128.1860	0.000	1	129.4670	3.282	2	129.4670	3.282	2	129.4670	3.282	2	129.4670	3.282	2	129.4670	3.282	2
474	786	880	0:SP3_SP3_SP3	C[5]	B[5]	Si	4:4:4:1:	4:3:3:3:	4:4:4:4:	B[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C-4:C-4:C-4:	C[5](B[5]C[6a]2N[5])(C[5]P[5]HH)(SiC3)(H)	B[5](C[5]C[5]SiH)(C[6a]C[6a]2)2(N[5]P[5]O)	Si(C[5]B[5]C[5]H)(CH3)3	C[5](B[5]C[6a]2N[5])(C[5]P[5]HH)(SiC3)(H){1|O<2>,6|C<3>}	B[5](C[5]C[5]SiH)(C[6a]C[6a]2)2(N[5]P[5]O){2|H<1>,4|F<1>,6|C<3>}	Si(C[5]B[5]C[5]H)(CH3)3	130.7480	0.000	1	129.4670	3.282	2	129.4670	3.282	2	129.4670	3.282	2	129.4670	3.282	2	129.4670	3.282	2
474	786	930	0:SP3_SP2_SP3	C[5]	B[5]	C	4:4:3:1:	4:3:2:1:	4:2:1:	B[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:O-2:O-1:	C[5](B[5]C[5]O[5]H)(C[5]C[5]HH)(COO)(H)	B[5](C[5]C[5]CH)(C[5]N[5]2)(O[5]C[5])(H)	C(C[5]B[5]C[5]H)(OC)(O)	C[5](B[5]C[5]O[5]H)(C[5]C[5]HH)(COO)(H){1|O<1>,2|N<3>}	B[5](C[5]C[5]CH)(C[5]N[5]2)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C(C[5]B[5]C[5]H)(OC)(O)	110.4273	0.315	3	108.4115	5.467	6	108.4115	5.467	6	108.4115	5.467	6	108.4115	5.467	6	108.4115	5.467	6
474	786	930	0:SP3_SP2_SP3	C[5]	B[5]	C	4:4:3:1:	4:3:2:1:	4:2:1:	B[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:O-2:O-1:	C[5](B[5]C[5]O[5]H)(C[5]C[5]HH)(COO)(H)	B[5](C[5]C[5]CH)(C[5]N[5]2)(O[5]C[5])(H)	C(C[5]B[5]C[5]H)(OC)(O)	C[5](B[5]C[5]O[5]H)(C[5]C[5]HH)(COO)(H){1|O<1>,2|N<3>}	B[5](C[5]C[5]CH)(C[5]N[5]2)(O[5]C[5])(H){1|O<1>,2|H<1>,4|C<3>}	C(C[5]B[5]C[5]H)(OC)(O)	106.3957	1.173	3	108.4115	5.467	6	108.4115	5.467	6	108.4115	5.467	6	108.4115	5.467	6	108.4115	5.467	6
474	786	951	0:SP3_SP-NON_SP3	C[5,5,6]	B[5,5]	H	4:4:4:1:	4:2:2:2:	4:	C[5,5,6]-4:C[5,5,6]-4:B[5,5]-4:H-1:	C[5,5,6]-4:O[5]-2:O[5]-2:O[5]-2:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(B[5,5]O[5]3)(H)	B[5,5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])3	H(C[5,5,6]C[5,5,6]2B[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(B[5,5]O[5]3)(H){1|N<3>,3|C<4>,5|H<1>}	B[5,5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])3{1|N<3>,2|H<1>,7|C<4>}	H(C[5,5,6]C[5,5,6]2B[5,5])	110.3580	0.000	1	110.3580	0.000	1	110.3580	0.000	1	110.3580	0.000	1	110.3580	0.000	1	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5,5,6]	B[5]	H	4:4:4:1:	4:3:3:3:	4:	C[5,5,6]-4:C[5,5,6]-4:B[5]-4:H-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:N[5]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]P[5]H)(C[5,5,6]C[5,5]C[5,6]H)(B[5]C[6a]2N[5])(H)	B[5](C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)2(N[5]P[5]O)	H(C[5,5,6]C[5,5,6]2B[5])	C[5,5,6](C[5,5,6]C[5,5,6]P[5]H)(C[5,5,6]C[5,5]C[5,6]H)(B[5]C[6a]2N[5])(H){1|C<4>,1|O<2>,5|H<1>,6|C<3>}	B[5](C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)2(N[5]P[5]O){2|H<1>,3|C<4>,4|F<1>,6|C<3>}	H(C[5,5,6]C[5,5,6]2B[5])	105.7290	0.000	1	105.7290	0.000	1	105.7290	0.000	1	105.7290	0.000	1	105.7290	0.000	1	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5,5]	B[5,5,6]	H	4:4:4:1:	4:3:3:3:	4:	B[5,5,6]-4:P[5,5,6]-4:C-4:H-1:	C[5,5]-4:C[5,6]-3:C[5,6]-3:C[6a]-3:	C[5,5]-4:	C[5,5](B[5,5,6]C[5,6]2C[6a])(P[5,5,6]C[5,6]2C[6a])(CH3)(H)	B[5,5,6](C[5,5]P[5,5,6]CH)(C[5,6]C[5,6]H)2(C[6a]C[6a]2)	H(C[5,5]B[5,5,6]P[5,5,6]C)	C[5,5](B[5,5,6]C[5,6]2C[6a])(P[5,5,6]C[5,6]2C[6a])(CH3)(H){2|H<1>,6|C<3>}	B[5,5,6](C[5,5]P[5,5,6]CH)(C[5,6]C[5,6]H)2(C[6a]C[6a]2){2|F<1>,5|C<3>}	H(C[5,5]B[5,5,6]P[5,5,6]C)	110.2775	0.271	2	110.2775	0.073	2	110.2775	0.073	2	110.2775	0.073	2	110.7096	0.188	5	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5,5]	B[5,5,6]	H	4:4:4:1:	4:4:2:3:	4:	B[5,5,6]-4:P[5,5,6]-4:C-4:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C[6a]-3:	C[5,5]-4:	C[5,5](B[5,5,6]C[5,6]O[5,6]C[6a])(P[5,5,6]C[5,6]2C[6a])(CH3)(H)	B[5,5,6](C[5,5]P[5,5,6]CH)(C[5,6]C[5,6]HH)(O[5,6]C[5,6])(C[6a]C[6a]2)	H(C[5,5]B[5,5,6]P[5,5,6]C)	C[5,5](B[5,5,6]C[5,6]O[5,6]C[6a])(P[5,5,6]C[5,6]2C[6a])(CH3)(H){5|C<3>,5|H<1>}	B[5,5,6](C[5,5]P[5,5,6]CH)(C[5,6]C[5,6]HH)(O[5,6]C[5,6])(C[6a]C[6a]2){2|F<1>,3|H<1>,4|C<3>}	H(C[5,5]B[5,5,6]P[5,5,6]C)	110.9977	0.167	3	110.9977	0.028	3	110.9977	0.028	3	110.9977	0.028	3	110.7096	0.188	5	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5,5]	B[5]	H	3:4:3:1:	4:3:3:3:	4:	C[5,6a]-3:B[5]-4:C[5,5]-3:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:O[5]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]2O[5])(C[5,5]C[5]2)(H)	B[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)2(O[5]C[5]Li)	H(C[5,5]C[5,6a]C[5,5]B[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]2O[5])(C[5,5]C[5]2)(H){1|Li<3>,1|C<4>,1|H<1>,7|C<3>}	B[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)2(O[5]C[5]Li){1|F<2>,3|F<1>,8|C<3>}	H(C[5,5]C[5,6a]C[5,5]B[5])	111.4430	0.000	1	111.4430	0.000	1	111.4430	0.000	1	111.4430	0.000	1	108.5673	8.154	8	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5,5]	B[5]	H	4:3:3:1:	4:4:3:3:	4:	B[5]-4:C[5,5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](B[5]C[6a]2C[5])(C[5,5]C[5]2)(C[5]N[5]H)(H)	B[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)2	H(C[5,5]C[5,5]B[5]C[5])	C[5,5](B[5]C[6a]2C[5])(C[5,5]C[5]2)(C[5]N[5]H)(H){1|C<4>,3|H<1>,6|C<3>}	B[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)2{1|C<4>,1|H<1>,1|N<3>,4|F<1>,7|C<3>}	H(C[5,5]C[5,5]B[5]C[5])	108.0530	0.352	2	108.0530	0.124	2	108.0530	0.124	2	108.0530	0.124	2	108.5673	8.154	8	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5,5]	B[5]	H	4:4:3:1:	4:3:3:3:	4:	B[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:	C[5,5](B[5]C[6a]2C[5])(C[5,5]C[5]2H)(C[5]C[5]H)(H)	B[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)2(C[5]C[5]C)	H(C[5,5]C[5,5]B[5]C[5])	C[5,5](B[5]C[6a]2C[5])(C[5,5]C[5]2H)(C[5]C[5]H)(H){1|C<4>,2|H<1>,6|C<3>}	B[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)2(C[5]C[5]C){1|C<4>,2|H<1>,4|F<1>,6|C<3>}	H(C[5,5]C[5,5]B[5]C[5])	111.7295	0.216	2	111.7295	0.047	2	111.7295	0.047	2	111.7295	0.047	2	108.5673	8.154	8	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5,5]	B[5]	H	4:4:4:1:	4:3:3:3:	4:	C[5,5]-4:B[5]-4:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:O[5]-3:	C[5,5]-4:	C[5,5](C[5,5]B[5]P[5]H)(B[5]C[6a]2O[5])(C[5]C[5]CH)(H)	B[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]B[5]C)	H(C[5,5]C[5,5]B[5]C[5])	C[5,5](C[5,5]B[5]P[5]H)(B[5]C[6a]2O[5])(C[5]C[5]CH)(H){1|C<4>,2|H<1>,8|C<3>}	B[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]B[5]C){1|P<4>,2|C<4>,2|H<1>,4|F<1>,6|C<3>}	H(C[5,5]C[5,5]B[5]C[5])	107.3340	0.000	1	107.3340	0.000	1	107.3340	0.000	1	105.8433	2.923	3	108.5673	8.154	8	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5,5]	B[5]	H	4:4:4:1:	4:3:3:3:	4:	C[5,5]-4:B[5]-4:C[5]-4:H-1:	C[5,5]-4:O[3,5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,5]B[3,5]P[5]H)(B[5]O[3,5]C[6a]2)(C[5]C[5]CH)(H)	B[5](C[5,5]C[5,5]C[5]H)(O[3,5]B[3,5]C[3])(C[6a]C[6a]2)2	H(C[5,5]C[5,5]B[5]C[5])	C[5,5](C[5,5]B[3,5]P[5]H)(B[5]O[3,5]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,2|H<1>,7|C<3>}	B[5](C[5,5]C[5,5]C[5]H)(O[3,5]B[3,5]C[3])(C[6a]C[6a]2)2{1|P<4>,2|C<4>,3|H<1>,4|F<1>,6|C<3>}	H(C[5,5]C[5,5]B[5]C[5])	103.9770	0.000	1	103.9770	0.000	1	103.9770	0.000	1	105.8433	2.923	3	108.5673	8.154	8	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5,5]	B[5]	H	4:4:4:1:	4:3:3:3:	4:	C[5,5]-4:B[5]-4:P[5]-4:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:O[5]-3:	C[5,5]-4:	C[5,5](C[5,5]B[5]C[5]H)(B[5]C[6a]2O[5])(P[5]C[6a]2C[5])(H)	B[5](C[5,5]C[5,5]P[5]H)(C[6a]C[6a]2)2(O[5]B[5]C)	H(C[5,5]C[5,5]B[5]P[5])	C[5,5](C[5,5]B[5]C[5]H)(B[5]C[6a]2O[5])(P[5]C[6a]2C[5])(H){10|C<3>,2|C<4>,3|H<1>}	B[5](C[5,5]C[5,5]P[5]H)(C[6a]C[6a]2)2(O[5]B[5]C){1|H<1>,2|C<4>,4|F<1>,8|C<3>}	H(C[5,5]C[5,5]B[5]P[5])	106.2190	0.000	1	106.2190	0.000	1	106.2190	0.000	1	105.8433	2.923	3	108.5673	8.154	8	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5,6]	B[5,5,6]	H	4:4:1:1:	4:4:2:3:	4:	B[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C[6a]-3:	C[5,6]-4:	C[5,6](B[5,5,6]C[5,5]O[5,6]C[6a])(C[5,6]P[5,5,6]HH)(H)2	B[5,5,6](C[5,5]P[5,5,6]CH)(C[5,6]C[5,6]HH)(O[5,6]C[5,6])(C[6a]C[6a]2)	H(C[5,6]B[5,5,6]C[5,6]H)	C[5,6](B[5,5,6]C[5,5]O[5,6]C[6a])(C[5,6]P[5,5,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	B[5,5,6](C[5,5]P[5,5,6]CH)(C[5,6]C[5,6]HH)(O[5,6]C[5,6])(C[6a]C[6a]2){2|F<1>,3|H<1>,4|C<3>}	H(C[5,6]B[5,5,6]C[5,6]H)	110.3598	0.138	6	110.3598	0.019	6	110.3598	0.019	6	110.3598	0.019	6	112.2242	10.476	10	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5,6]	B[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	B[5,5,6]-4:N[5,5,6]-4:H-1:H-1:	N[5,5,6]-4:N[5,5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](B[5,5,6]N[5,5,6]2H)(N[5,5,6]B[5,5,6]2H)(H)2	B[5,5,6](N[5,5,6]B[5,5,6]C[5,6]H)2(C[5,6]N[5,5,6]HH)(H)	H(C[5,6]B[5,5,6]N[5,5,6]H)	C[5,6](B[5,5,6]N[5,5,6]2H)(N[5,5,6]B[5,5,6]2H)(H)2{1|B<4>,1|N<4>,3|C<4>,4|H<1>}	B[5,5,6](N[5,5,6]B[5,5,6]C[5,6]H)2(C[5,6]N[5,5,6]HH)(H){1|B<4>,1|C<4>,1|N<4>,7|H<1>}	H(C[5,6]B[5,5,6]N[5,5,6]H)	115.0208	3.744	4	115.0208	14.016	4	115.0208	14.016	4	115.0208	14.016	4	112.2242	10.476	10	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5,6]	B[5,6]	H	4:4:4:1:	4:4:3:4:	4:	B[5,6]-4:P[5,6]-4:C-4:H-1:	P[5,6]-4:C[5,6]-4:C[6a]-3:C[5]-4:	C[5,6]-4:	C[5,6](B[5,6]P[5,6]C[6a]C[5])(P[5,6]B[5,6]C[6a]C[5])(CH3)(H)	B[5,6](P[5,6]C[5,6]C[6a]C[5])(C[5,6]P[5,6]CH)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5,6]B[5,6]P[5,6]C)	C[5,6](B[5,6]P[5,6]C[6a]C[5])(P[5,6]B[5,6]C[6a]C[5])(CH3)(H){3|C<4>,4|H<1>,6|C<3>}	B[5,6](P[5,6]C[5,6]C[6a]C[5])(C[5,6]P[5,6]CH)(C[6a]C[6a]2)(C[5]C[5]HH){1|B<4>,2|C<4>,2|F<1>,5|C<3>,5|H<1>}	H(C[5,6]B[5,6]P[5,6]C)	111.1795	0.237	2	111.1795	0.056	2	111.1795	0.056	2	111.1795	0.056	2	111.1795	0.056	2	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5,6]	B[5]	H	4:3:3:1:	3:4:3:3:	4:	B[5]-4:C[5,6]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](B[5]C[5,6a]C[6a]2)(C[5,6]C[5,6a]C[6])(C[6]C[5,6]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)2	H(C[5,6]C[5,6]B[5]C[6])	C[5,6](B[5]C[5,6a]C[6a]2)(C[5,6]C[5,6a]C[6])(C[6]C[5,6]H)(H){1|C<4>,1|H<1>,7|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)2{2|H<1>,4|C<4>,8|C<3>}	H(C[5,6]C[5,6]B[5]C[6])	100.6330	0.000	1	100.6330	0.000	1	100.6330	0.000	1	100.6330	0.000	1	106.0092	7.449	6	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5,6]	B[5]	H	4:4:2:1:	4:3:3:4:	4:	P[5,6]-4:B[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:C[5]-4:	C[5,6]-4:	C[5,6](P[5,6]C[6a]C[5]C[6])(B[5]C[6a]2C[5])(O[6]B[6])(H)	B[5](C[5,6]P[5,6]O[6]H)(C[6a]C[6a]2)2(C[5]C[5]HH)	H(C[5,6]P[5,6]B[5]O[6])	C[5,6](P[5,6]C[6a]C[5]C[6])(B[5]C[6a]2C[5])(O[6]B[6])(H){1|C<4>,6|H<1>,7|C<3>}	B[5](C[5,6]P[5,6]O[6]H)(C[6a]C[6a]2)2(C[5]C[5]HH){1|B<3>,1|C<4>,2|H<1>,4|F<1>,5|C<3>}	H(C[5,6]P[5,6]B[5]O[6])	105.7680	0.000	1	105.7680	0.000	1	105.7680	0.000	1	105.7680	0.000	1	106.0092	7.449	6	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5,6]	B[5]	H	4:4:4:1:	4:3:3:3:	4:	C[5,6]-4:B[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:	C[5,6](C[5,6]C[6]P[5]H)(B[5]C[6a]2N[5])(C[6]C[6]HH)(H)	B[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)2(N[5]P[5]O)	H(C[5,6]C[5,6]B[5]C[6])	C[5,6](C[5,6]C[6]P[5]H)(B[5]C[6a]2N[5])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>,6|C<3>}	B[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)2(N[5]P[5]O){2|C<4>,3|H<1>,4|F<1>,6|C<3>}	H(C[5,6]C[5,6]B[5]C[6])	107.4135	0.364	4	107.4135	0.132	4	107.4135	0.132	4	107.4135	0.132	4	106.0092	7.449	6	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5]	B[5,5]	H	4:2:4:1:	4:2:2:2:	4:	B[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:O[5]-2:O[5]-2:	C[5]-4:	C[5](B[5,5]O[5]3)(O[5]C[5])(CCHH)(H)	B[5,5](C[5]O[5]CH)(O[5]C[5])3	H(C[5]B[5,5]O[5]C)	C[5](B[5,5]O[5]3)(O[5]C[5])(CCHH)(H){1|N<3>,2|C<4>}	B[5,5](C[5]O[5]CH)(O[5]C[5])3{1|N<3>,4|C<4>}	H(C[5]B[5,5]O[5]C)	108.8945	0.193	2	108.8945	0.037	2	108.8945	0.037	2	108.8945	0.037	2	109.2860	0.588	10	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5]	B[5,5]	H	4:3:3:1:	4:2:2:2:	4:	B[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:O[5]-2:O[5]-2:O[5]-2:	C[5]-4:	C[5](B[5,5]O[5]3)(C[6a]C[6a]2)(N[5]C[5]H)(H)	B[5,5](C[5]C[6a]N[5]H)(O[5]C[5,6,6])2(O[5]C[5])	H(C[5]B[5,5]C[6a]N[5])	C[5](B[5,5]O[5]3)(C[6a]C[6a]2)(N[5]C[5]H)(H){2|C<3>,2|H<1>,3|C<4>}	B[5,5](C[5]C[6a]N[5]H)(O[5]C[5,6,6])2(O[5]C[5]){2|C<3>,2|H<1>,4|C<4>}	H(C[5]B[5,5]C[6a]N[5])	108.1410	0.000	1	108.1410	0.000	1	108.1410	0.000	1	108.1410	0.000	1	109.2860	0.588	10	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5]	B[5,5]	H	4:3:4:1:	4:2:2:2:	4:	B[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:O[5]-2:O[5]-2:O[5]-2:	C[5]-4:	C[5](B[5,5]O[5]3)(N[5]C[5]C)(CCHH)(H)	B[5,5](C[5]N[5]CH)(O[5]C[5])3	H(C[5]B[5,5]N[5]C)	C[5](B[5,5]O[5]3)(N[5]C[5]C)(CCHH)(H){1|C<3>,2|C<4>}	B[5,5](C[5]N[5]CH)(O[5]C[5])3{1|C<3>,5|C<4>}	H(C[5]B[5,5]N[5]C)	108.8960	0.000	1	108.8960	0.000	1	108.8960	0.000	1	108.8960	0.000	1	109.2860	0.588	10	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5]	B[5,5]	H	4:4:1:1:	3:4:4:1:	4:	B[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:N[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](B[5,5]C[5,6a]N[5,5]H)(C[5]C[5]CC)(H)2	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2C)(C[5]C[5]HH)(H)	H(C[5]B[5,5]C[5]H)	C[5](B[5,5]C[5,6a]N[5,5]H)(C[5]C[5]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[5]B[5,5]C[5]H)	110.2585	0.008	2	110.2585	0.000	2	110.2585	0.000	2	110.2585	0.000	2	109.2860	0.588	10	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5]	B[5,5]	H	4:4:2:1:	4:4:2:2:	4:	B[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:N[5,5]-4:O[5]-2:O[5]-2:	C[5]-4:	C[5](B[5,5]N[5,5]O[5]2)(C[5]C[5]HH)(O[5]C[5])(H)	B[5,5](C[5]C[5]O[5]H)(N[5,5]C[5]2C)(O[5]C[5])2	H(C[5]B[5,5]C[5]O[5])	C[5](B[5,5]N[5,5]O[5]2)(C[5]C[5]HH)(O[5]C[5])(H){1|Br<1>,2|H<1>,3|C<3>,3|C<4>}	B[5,5](C[5]C[5]O[5]H)(N[5,5]C[5]2C)(O[5]C[5])2{2|C<4>,2|O<1>,6|H<1>}	H(C[5]B[5,5]C[5]O[5])	109.5740	0.742	3	109.5740	0.550	3	109.5740	0.550	3	109.5740	0.550	3	109.2860	0.588	10	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5]	B[5,5]	H	4:4:4:1:	3:4:4:1:	4:	B[5,5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:N[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](B[5,5]C[5,6a]N[5,5]H)(C[5]C[5]HH)(CCHH)(H)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2C)(C[5]C[5]CH)(H)	H(C[5]B[5,5]C[5]C)	C[5](B[5,5]C[5,6a]N[5,5]H)(C[5]C[5]HH)(CCHH)(H){2|C<3>,2|C<4>,2|H<1>}	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2C)(C[5]C[5]CH)(H){2|C<3>,7|H<1>}	H(C[5]B[5,5]C[5]C)	108.7950	0.000	1	108.7950	0.000	1	108.7950	0.000	1	108.7950	0.000	1	109.2860	0.588	10	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5]	B[5,6,6]	H	4:3:1:1:	3:4:4:4:	4:	B[5,6,6]-4:N[5]-3:H-1:H-1:	N[5,6]-3:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5]-4:	C[5](B[5,6,6]C[6,6]2N[5,6])(N[5]C[5,6]C)(H)2	B[5,6,6](N[5,6]C[5,6]C[6])(C[6,6]C[6]2H)2(C[5]N[5]HH)	H(C[5]B[5,6,6]N[5]H)	C[5](B[5,6,6]C[6,6]2N[5,6])(N[5]C[5,6]C)(H)2{2|C<3>,2|H<1>,4|C<4>}	B[5,6,6](N[5,6]C[5,6]C[6])(C[6,6]C[6]2H)2(C[5]N[5]HH){2|C<3>,3|C<4>,9|H<1>}	H(C[5]B[5,6,6]N[5]H)	110.4580	0.024	2	110.4580	0.001	2	110.4580	0.001	2	110.4580	0.001	2	111.0238	0.721	4	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5]	B[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	B[5,6,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[5]-4:N[5]-4:	C[5]-4:	C[5](B[5,6,6]C[6,6]2N[5])(C[5]C[5]HH)(H)2	B[5,6,6](C[6,6]C[6]2H)2(C[5]C[5]HH)(N[5]C[5]CC)	H(C[5]B[5,6,6]C[5]H)	C[5](B[5,6,6]C[6,6]2N[5])(C[5]C[5]HH)(H)2{4|H<1>,6|C<4>}	B[5,6,6](C[6,6]C[6]2H)2(C[5]C[5]HH)(N[5]C[5]CC){12|H<1>,2|C<4>}	H(C[5]B[5,6,6]C[5]H)	111.5895	0.940	2	111.5895	0.883	2	111.5895	0.883	2	111.5895	0.883	2	111.0238	0.721	4	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5]	B[5,6]	H	4:3:3:1:	4:3:4:3:	4:	B[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5,6]-4:N[6,6]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](B[5,6]C[5,6]N[6,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(H)	B[5,6](C[5,6]C[6,6a]C[6a]C[5])(N[6,6]C[6,6]C[6])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	H(C[5]B[5,6]C[6a]C[5])	C[5](B[5,6]C[5,6]N[6,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(H){11|C<3>,2|H<1>}	B[5,6](C[5,6]C[6,6a]C[6a]C[5])(N[6,6]C[6,6]C[6])(C[5]C[6a]C[5]H)(C[6a]C[6a]2){12|C<3>,3|H<1>}	H(C[5]B[5,6]C[6a]C[5])	106.0360	0.159	3	106.0360	0.025	3	106.0360	0.025	3	106.0360	0.025	3	107.9869	3.347	7	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5]	B[5,6]	H	4:4:1:1:	4:4:3:4:	4:	B[5,6]-4:C[5]-4:H-1:H-1:	P[5,6]-4:C[5,6]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](B[5,6]C[5,6]P[5,6]C[6a])(C[5]P[5,6]HH)(H)2	B[5,6](P[5,6]C[5,6]C[6a]C[5])(C[5,6]P[5,6]CH)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]B[5,6]C[5]H)	C[5](B[5,6]C[5,6]P[5,6]C[6a])(C[5]P[5,6]HH)(H)2{1|B<4>,1|H<1>,3|C<4>,4|C<3>}	B[5,6](P[5,6]C[5,6]C[6a]C[5])(C[5,6]P[5,6]CH)(C[6a]C[6a]2)(C[5]C[5]HH){1|B<4>,2|C<4>,2|F<1>,5|C<3>,5|H<1>}	H(C[5]B[5,6]C[5]H)	109.4500	0.132	4	109.4500	0.017	4	109.4500	0.017	4	109.4500	0.017	4	107.9869	3.347	7	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5]	B[5]	H	3:4:1:1:	3:4:3:1:	4:	C[5,6a]-3:B[5]-4:H-1:H-1:	B[5]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(B[5]B[5]C[5]H)(H)2	B[5](B[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[5]N[5]2)(H)	H(C[5]C[5,6a]B[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(B[5]B[5]C[5]H)(H)2{1|H<1>,2|N<3>,3|C<3>}	B[5](B[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[5]N[5]2)(H){2|C<4>,6|C<3>}	H(C[5]C[5,6a]B[5]H)	110.6320	0.025	2	110.6320	0.001	2	110.6320	0.001	2	110.6320	0.001	2	109.6193	7.095	127	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5]	B[5]	H	3:4:1:1:	4:4:3:1:	4:	C[5,6a]-3:B[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C[6a]-3:Cl-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]N[5]Cl)(H)2	B[5](C[5]C[5,6a]HH)(N[5]C[5,6a]CC)(C[6a]C[6a]2)(Cl)	H(C[5]C[5,6a]B[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]N[5]Cl)(H)2{1|H<1>,2|C<4>,4|C<3>}	B[5](C[5]C[5,6a]HH)(N[5]C[5,6a]CC)(C[6a]C[6a]2)(Cl){2|H<1>,4|C<3>}	H(C[5]C[5,6a]B[5]H)	110.9865	0.037	2	110.9865	0.001	2	110.9865	0.001	2	110.9865	0.001	2	109.6193	7.095	127	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5]	B[5]	H	3:4:1:1:	4:4:3:4:	4:	C[5,6a]-3:B[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C[6a]-3:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]N[5]C)(H)2	B[5](C[5]C[5,6a]HH)(N[5]C[5,6a]CC)(C[6a]C[6a]2)(CC[6a]HH)	H(C[5]C[5,6a]B[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]N[5]C)(H)2{1|H<1>,2|C<4>,4|C<3>}	B[5](C[5]C[5,6a]HH)(N[5]C[5,6a]CC)(C[6a]C[6a]2)(CC[6a]HH){2|H<1>,4|C<3>}	H(C[5]C[5,6a]B[5]H)	111.0525	0.015	2	111.0525	0.000	2	111.0525	0.000	2	111.0525	0.000	2	109.6193	7.095	127	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5]	B[5]	H	4:2:1:1:	3:3:4:2:	4:	B[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:	C[5](B[5]C[6a]2O[5])(O[5]C[5])(H)2	B[5](C[6a]C[6a]2)2(C[5]O[5]HH)(O[5]C[5])	H(C[5]B[5]O[5]H)	C[5](B[5]C[6a]2O[5])(O[5]C[5])(H)2{1|O<2>,4|C<3>}	B[5](C[6a]C[6a]2)2(C[5]O[5]HH)(O[5]C[5]){1|O<2>,4|C<3>,4|F<1>}	H(C[5]B[5]O[5]H)	111.3520	0.000	1	111.3520	0.000	1	111.3520	0.000	1	111.3520	0.000	1	109.6193	7.095	127	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5]	B[5]	H	4:2:4:1:	3:3:4:2:	4:	B[5]-4:O[5]-2:C-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:	C[5](B[5]C[6a]2O[5])(O[5]C[5])(CCCH)(H)	B[5](C[6a]C[6a]2)2(C[5]O[5]CH)(O[5]C[5])	H(C[5]B[5]O[5]C)	C[5](B[5]C[6a]2O[5])(O[5]C[5])(CCCH)(H){1|B<4>,4|C<3>}	B[5](C[6a]C[6a]2)2(C[5]O[5]CH)(O[5]C[5]){1|B<4>,4|C<3>,4|F<1>}	H(C[5]B[5]O[5]C)	109.3270	0.000	1	109.3270	0.000	1	109.3270	0.000	1	109.3270	0.000	1	109.6193	7.095	127	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5]	B[5]	H	4:3:1:1:	4:3:3:4:	4:	B[5]-4:S[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](B[5]C[6a]2C[5])(S[5]C[6a]C[5])(H)2	B[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(C[5]S[5]HH)	H(C[5]B[5]S[5]H)	C[5](B[5]C[6a]2C[5])(S[5]C[6a]C[5])(H)2{1|H<1>,8|C<3>}	B[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(C[5]S[5]HH){4|F<1>,8|C<3>}	H(C[5]B[5]S[5]H)	110.2535	0.021	2	110.2535	0.000	2	110.2535	0.000	2	110.2535	0.000	2	109.6193	7.095	127	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5]	B[5]	H	4:3:2:1:	4:3:3:2:	4:	B[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:	C[5](B[5]C[6a]2O[5])(C[6a]C[6a]2)(O[5]B[5])(H)	B[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)2(O[5]B[5])	H(C[5]C[6a]B[5]O[5])	C[5](B[5]C[6a]2O[5])(C[6a]C[6a]2)(O[5]B[5])(H){1|C<4>,2|F<1>,6|C<3>}	B[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)2(O[5]B[5]){1|C<4>,4|F<1>,6|C<3>}	H(C[5]C[6a]B[5]O[5])	109.0840	0.000	1	109.0840	0.000	1	109.0840	0.000	1	109.0840	0.000	1	109.6193	7.095	127	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5]	B[5]	H	4:3:3:1:	4:3:3:4:	4:	B[5]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](B[5]C[6a]2C[5])(C[5]C[6a]S[5])(C[6a]C[6a]2)(H)	B[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(C[5]S[5]HH)	H(C[5]C[6a]B[5]C[5])	C[5](B[5]C[6a]2C[5])(C[5]C[6a]S[5])(C[6a]C[6a]2)(H){4|H<1>,9|C<3>}	B[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(C[5]S[5]HH){4|F<1>,8|C<3>}	H(C[5]C[6a]B[5]C[5])	94.5290	0.000	1	94.5290	0.000	1	94.5290	0.000	1	94.5290	0.000	1	109.6193	7.095	127	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5]	B[5]	H	4:3:3:1:	4:4:1:1:	4:	B[5]-4:N[5]-3:N-3:H-1:	C[5]-4:C[5]-4:Br-1:Br-1:	C[5]-4:	C[5](B[5]C[5]Br2)(N[5]C[5]C)(NCC)(H)	B[5](C[5]C[5]HH)(C[5]N[5]HN)(Br)2	H(C[5]B[5]N[5]N)	C[5](B[5]C[5]Br2)(N[5]C[5]C)(NCC)(H){1|C<4>,3|H<1>}	B[5](C[5]C[5]HH)(C[5]N[5]HN)(Br)2{1|H<1>,2|C<4>}	H(C[5]B[5]N[5]N)	90.7892	0.000	1	90.7892	0.000	1	90.7892	0.000	1	90.7892	0.000	1	109.6193	7.095	127	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5]	B[5]	H	4:3:3:1:	4:4:3:3:	4:	B[5]-4:C[5]-3:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](B[5]C[5,5]C[6a]2)(C[5]C[5,5]C[6a])(C[6a]C[6a]2)(H)	B[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)2	H(C[5]C[6a]B[5]C[5])	C[5](B[5]C[5,5]C[6a]2)(C[5]C[5,5]C[6a])(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,2|F<1>,9|C<3>}	B[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)2{1|C<4>,1|H<1>,1|N<3>,4|F<1>,7|C<3>}	H(C[5]C[6a]B[5]C[5])	107.2870	0.211	2	107.2870	0.044	2	107.2870	0.044	2	107.2870	0.044	2	109.6193	7.095	127	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5]	B[5]	H	4:3:4:1:	4:3:3:2:	4:	B[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C[6a]-3:C-2:	C[5]-4:	C[5](B[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	B[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)(CN)	H(C[5]C[6a]B[5]C[5])	C[5](B[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,2|F<1>,5|C<3>}	B[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)(CN){1|H<1>,2|C<4>,2|F<1>,6|C<3>}	H(C[5]C[6a]B[5]C[5])	105.0970	0.000	1	105.0970	0.000	1	105.0970	0.000	1	105.0970	0.000	1	109.6193	7.095	127	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5]	B[5]	H	4:4:1:1:	3:3:3:4:	4:	B[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](B[5]C[6a]2N[5])(C[5]C[6a]P[5]H)(H)2	B[5](N[5]C[6a]P[5])(C[6a]C[6a]2)2(C[5]C[5]HH)	H(C[5]B[5]C[5]H)	C[5](B[5]C[6a]2N[5])(C[5]C[6a]P[5]H)(H)2{2|C<4>,7|C<3>}	B[5](N[5]C[6a]P[5])(C[6a]C[6a]2)2(C[5]C[5]HH){1|H<1>,2|C<4>,4|F<1>,7|C<3>}	H(C[5]B[5]C[5]H)	109.4805	0.013	2	109.4805	0.000	2	109.6377	0.104	6	109.6659	0.077	8	109.6193	7.095	127	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5]	B[5]	H	4:4:1:1:	3:3:3:4:	4:	B[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](B[5]C[6a]2N[5])(C[5]P[5]CH)(H)2	B[5](N[5]C[6a]P[5])(C[6a]C[6a]2)2(C[5]C[5]HH)	H(C[5]B[5]C[5]H)	C[5](B[5]C[6a]2N[5])(C[5]P[5]CH)(H)2{2|C<4>,5|C<3>}	B[5](N[5]C[6a]P[5])(C[6a]C[6a]2)2(C[5]C[5]HH){1|H<1>,3|C<4>,4|F<1>,6|C<3>}	H(C[5]B[5]C[5]H)	109.7163	0.384	4	109.7163	0.148	4	109.6377	0.104	6	109.6659	0.077	8	109.6193	7.095	127	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5]	B[5]	H	4:4:1:1:	3:3:3:4:	4:	B[5]-4:P[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](B[5]C[6a]2N[5])(P[5]C[5]CC)(H)2	B[5](N[5]C[6a]C[5])(C[6a]C[6a]2)2(C[5]P[5]HH)	H(C[5]B[5]P[5]H)	C[5](B[5]C[6a]2N[5])(P[5]C[5]CC)(H)2{1|C<4>,5|C<3>}	B[5](N[5]C[6a]C[5])(C[6a]C[6a]2)2(C[5]P[5]HH){3|C<4>,4|H<1>,6|C<3>}	H(C[5]B[5]P[5]H)	109.7505	0.030	2	109.7505	0.001	2	109.7505	0.001	2	109.6659	0.077	8	109.6193	7.095	127	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5]	B[5]	H	4:4:1:1:	3:3:4:1:	4:	B[5]-4:P[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:Cl-1:	C[5]-4:	C[5](B[5]C[5,6a]C[6a]Cl)(P[5]C[5,6a]CC)(H)2	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(Cl)	H(C[5]B[5]P[5]H)	C[5](B[5]C[5,6a]C[6a]Cl)(P[5]C[5,6a]CC)(H)2{4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(Cl){1|F<1>,2|C<4>,2|H<1>,4|C<3>}	H(C[5]B[5]P[5]H)	110.1350	0.025	2	110.1497	0.001	4	110.1497	0.001	4	110.1800	0.013	7	109.6193	7.095	127	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5]	B[5]	H	4:4:1:1:	3:3:4:1:	4:	B[5]-4:P[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:Cl-1:	C[5]-4:	C[5](B[5]C[5,6a]C[6a]Cl)(P[5]C[5,6a]CC)(H)2	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(Cl)	H(C[5]B[5]P[5]H)	C[5](B[5]C[5,6a]C[6a]Cl)(P[5]C[5,6a]CC)(H)2{4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(Cl){2|C<4>,3|F<1>,4|C<3>}	H(C[5]B[5]P[5]H)	110.1645	0.049	2	110.1497	0.001	4	110.1497	0.001	4	110.1800	0.013	7	109.6193	7.095	127	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5]	B[5]	H	4:4:1:1:	3:3:4:1:	4:	B[5]-4:P[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:F-1:	C[5]-4:	C[5](B[5]C[5,6a]C[6a]F)(P[5]C[5,6a]CC)(H)2	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(F)	H(C[5]B[5]P[5]H)	C[5](B[5]C[5,6a]C[6a]F)(P[5]C[5,6a]CC)(H)2{4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(F){2|C<4>,3|F<1>,4|C<3>}	H(C[5]B[5]P[5]H)	110.0260	0.000	1	110.0260	0.000	1	110.0260	0.000	1	110.1800	0.013	7	109.6193	7.095	127	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5]	B[5]	H	4:4:1:1:	3:3:4:1:	4:	B[5]-4:P[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](B[5]C[5,6a]C[6a]H)(P[5]C[5,6a]CC)(H)2	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(H)	H(C[5]B[5]P[5]H)	C[5](B[5]C[5,6a]C[6a]H)(P[5]C[5,6a]CC)(H)2{4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(H){2|C<4>,3|F<1>,4|C<3>}	H(C[5]B[5]P[5]H)	110.3175	0.077	2	110.3175	0.006	2	110.3175	0.006	2	110.1800	0.013	7	109.6193	7.095	127	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5]	B[5]	H	4:4:1:1:	3:3:4:2:	4:	B[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:	C[5](B[5]C[6a]2O[5])(C[5]C[6a]P[5]H)(H)2	B[5](C[6a]C[6a]2)2(C[5]C[5]HH)(O[5]P[5])	H(C[5]B[5]C[5]H)	C[5](B[5]C[6a]2O[5])(C[5]C[6a]P[5]H)(H)2{8|C<3>}	B[5](C[6a]C[6a]2)2(C[5]C[5]HH)(O[5]P[5]){1|H<1>,4|F<1>,7|C<3>}	H(C[5]B[5]C[5]H)	110.5925	0.035	2	110.5925	0.001	2	110.5887	0.001	3	110.5255	0.477	24	109.6193	7.095	127	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5]	B[5]	H	4:4:1:1:	3:3:4:2:	4:	B[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:	C[5](B[5]C[6a]2O[5])(C[5]P[5]CH)(H)2	B[5](C[6a]C[6a]2)2(C[5]C[5]HH)(O[5]P[5])	H(C[5]B[5]C[5]H)	C[5](B[5]C[6a]2O[5])(C[5]P[5]CH)(H)2{6|C<3>}	B[5](C[6a]C[6a]2)2(C[5]C[5]HH)(O[5]P[5]){1|H<1>,4|F<1>,7|C<3>}	H(C[5]B[5]C[5]H)	110.5810	0.000	1	110.5810	0.000	1	110.5887	0.001	3	110.5255	0.477	24	109.6193	7.095	127	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5]	B[5]	H	4:4:1:1:	3:3:4:2:	4:	B[5]-4:P[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:O-2:	C[5]-4:	C[5](B[5]C[5,6a]C[6a]O)(P[5]C[5,6a]CC)(H)2	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(OC)	H(C[5]B[5]P[5]H)	C[5](B[5]C[5,6a]C[6a]O)(P[5]C[5,6a]CC)(H)2{4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(OC){2|C<4>,3|F<1>,4|C<3>}	H(C[5]B[5]P[5]H)	110.0364	0.143	10	110.0364	0.021	10	110.0471	0.017	12	110.5255	0.477	24	109.6193	7.095	127	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5]	B[5]	H	4:4:1:1:	3:3:4:2:	4:	B[5]-4:P[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:O-2:	C[5]-4:	C[5](B[5]C[5,6a]C[6a]O)(P[5]C[5,6a]CC)(H)2	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(OS)	H(C[5]B[5]P[5]H)	C[5](B[5]C[5,6a]C[6a]O)(P[5]C[5,6a]CC)(H)2{4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(OS){2|C<4>,3|F<1>,4|C<3>}	H(C[5]B[5]P[5]H)	110.1005	0.013	2	110.1005	0.000	2	110.0471	0.017	12	110.5255	0.477	24	109.6193	7.095	127	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5]	B[5]	H	4:4:1:1:	3:3:4:2:	4:	B[5]-4:P[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:	C[5](B[5]C[6a]2N[5])(P[5]C[5]CC)(H)2	B[5](C[6a]C[6a]2)2(C[5]P[5]HH)(N[5]C[5])	H(C[5]B[5]P[5]H)	C[5](B[5]C[6a]2N[5])(P[5]C[5]CC)(H)2{1|C<4>,4|C<3>}	B[5](C[6a]C[6a]2)2(C[5]P[5]HH)(N[5]C[5]){3|C<4>,4|C<3>,4|H<1>}	H(C[5]B[5]P[5]H)	110.9705	0.289	4	110.8077	0.114	6	110.8077	0.114	6	110.5255	0.477	24	109.6193	7.095	127	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5]	B[5]	H	4:4:1:1:	3:3:4:2:	4:	B[5]-4:P[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:	C[5](B[5]C[6a]2N[5])(P[5]C[5]CC)(H)2	B[5](C[6a]C[6a]2)2(C[5]P[5]HH)(N[5]C[5])	H(C[5]B[5]P[5]H)	C[5](B[5]C[6a]2N[5])(P[5]C[5]CC)(H)2{5|C<3>}	B[5](C[6a]C[6a]2)2(C[5]P[5]HH)(N[5]C[5]){2|C<4>,4|H<1>,5|C<3>}	H(C[5]B[5]P[5]H)	110.4820	0.033	2	110.8077	0.114	6	110.8077	0.114	6	110.5255	0.477	24	109.6193	7.095	127	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5]	B[5]	H	4:4:1:1:	3:3:4:2:	4:	B[5]-4:P[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:	C[5](B[5]C[6a]2O[5])(P[5]C[5]CC)(H)2	B[5](C[6a]C[6a]2)2(C[5]P[5]HH)(O[5]C[5])	H(C[5]B[5]P[5]H)	C[5](B[5]C[6a]2O[5])(P[5]C[5]CC)(H)2{1|N<2>,4|C<3>}	B[5](C[6a]C[6a]2)2(C[5]P[5]HH)(O[5]C[5]){1|N<2>,2|C<4>,4|C<3>,4|H<1>}	H(C[5]B[5]P[5]H)	110.6690	0.000	1	111.8113	1.001	3	111.8113	1.001	3	110.5255	0.477	24	109.6193	7.095	127	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5]	B[5]	H	4:4:1:1:	3:3:4:2:	4:	B[5]-4:P[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:	C[5](B[5]C[6a]2O[5])(P[5]C[5]CC)(H)2	B[5](C[6a]C[6a]2)2(C[5]P[5]HH)(O[5]C[5])	H(C[5]B[5]P[5]H)	C[5](B[5]C[6a]2O[5])(P[5]C[5]CC)(H)2{1|O<1>,4|C<3>}	B[5](C[6a]C[6a]2)2(C[5]P[5]HH)(O[5]C[5]){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	H(C[5]B[5]P[5]H)	112.3825	0.211	2	111.8113	1.001	3	111.8113	1.001	3	110.5255	0.477	24	109.6193	7.095	127	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5]	B[5]	H	4:4:1:1:	3:3:4:3:	4:	B[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:N[5]-3:	C[5]-4:	C[5](B[5]C[6a]2N[5])(C[5]C[6a]P[5]H)(H)2	B[5](C[6a]C[6a]2)2(C[5]C[5]HH)(N[5]P[5]O)	H(C[5]B[5]C[5]H)	C[5](B[5]C[6a]2N[5])(C[5]C[6a]P[5]H)(H)2{1|O<1>,8|C<3>}	B[5](C[6a]C[6a]2)2(C[5]C[5]HH)(N[5]P[5]O){1|H<1>,4|F<1>,7|C<3>}	H(C[5]B[5]C[5]H)	110.1125	0.005	2	110.0238	0.011	4	109.9227	0.285	17	109.9227	0.285	17	109.6193	7.095	127	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5]	B[5]	H	4:4:1:1:	3:3:4:3:	4:	B[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:N[5]-3:	C[5]-4:	C[5](B[5]C[6a]2N[5])(C[5]C[6a]P[5]H)(H)2	B[5](C[6a]C[6a]2)2(C[5]C[5]HH)(N[5]P[5]O)	H(C[5]B[5]C[5]H)	C[5](B[5]C[6a]2N[5])(C[5]C[6a]P[5]H)(H)2{1|O<2>,8|C<3>}	B[5](C[6a]C[6a]2)2(C[5]C[5]HH)(N[5]P[5]O){1|H<1>,4|F<1>,7|C<3>}	H(C[5]B[5]C[5]H)	109.9350	0.021	2	110.0238	0.011	4	109.9227	0.285	17	109.9227	0.285	17	109.6193	7.095	127	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5]	B[5]	H	4:4:1:1:	3:3:4:3:	4:	B[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:N[5]-3:	C[5]-4:	C[5](B[5]C[6a]2N[5])(C[5]P[5]CH)(H)2	B[5](C[6a]C[6a]2)2(C[5]C[5]HH)(N[5]P[5]N)	H(C[5]B[5]C[5]H)	C[5](B[5]C[6a]2N[5])(C[5]P[5]CH)(H)2{1|N<2>,6|C<3>}	B[5](C[6a]C[6a]2)2(C[5]C[5]HH)(N[5]P[5]N){1|C<4>,1|H<1>,4|F<1>,6|C<3>}	H(C[5]B[5]C[5]H)	110.0800	0.076	2	110.0800	0.006	2	109.9227	0.285	17	109.9227	0.285	17	109.6193	7.095	127	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5]	B[5]	H	4:4:1:1:	3:3:4:3:	4:	B[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:N[5]-3:	C[5]-4:	C[5](B[5]C[6a]2N[5])(C[5]P[5]CH)(H)2	B[5](C[6a]C[6a]2)2(C[5]C[5]HH)(N[5]P[5]O)	H(C[5]B[5]C[5]H)	C[5](B[5]C[6a]2N[5])(C[5]P[5]CH)(H)2{1|O<1>,6|C<3>}	B[5](C[6a]C[6a]2)2(C[5]C[5]HH)(N[5]P[5]O){1|C<4>,1|H<1>,4|F<1>,6|C<3>}	H(C[5]B[5]C[5]H)	110.3460	0.031	2	110.2490	0.013	4	109.9227	0.285	17	109.9227	0.285	17	109.6193	7.095	127	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5]	B[5]	H	4:4:1:1:	3:3:4:3:	4:	B[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:N[5]-3:	C[5]-4:	C[5](B[5]C[6a]2N[5])(C[5]P[5]CH)(H)2	B[5](C[6a]C[6a]2)2(C[5]C[5]HH)(N[5]P[5]O)	H(C[5]B[5]C[5]H)	C[5](B[5]C[6a]2N[5])(C[5]P[5]CH)(H)2{1|O<2>,6|C<3>}	B[5](C[6a]C[6a]2)2(C[5]C[5]HH)(N[5]P[5]O){1|C<4>,1|H<1>,4|F<1>,6|C<3>}	H(C[5]B[5]C[5]H)	110.1520	0.030	2	110.2490	0.013	4	109.9227	0.285	17	109.9227	0.285	17	109.6193	7.095	127	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5]	B[5]	H	4:4:1:1:	3:3:4:3:	4:	B[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:N[5]-3:	C[5]-4:	C[5](B[5]C[6a]2N[5])(C[5]P[5]CH)(H)2	B[5](C[6a]C[6a]2)2(C[5]C[5]HH)(N[5]P[5]Si)	H(C[5]B[5]C[5]H)	C[5](B[5]C[6a]2N[5])(C[5]P[5]CH)(H)2{1|Si<4>,2|C<4>,4|C<3>}	B[5](C[6a]C[6a]2)2(C[5]C[5]HH)(N[5]P[5]Si){1|H<1>,3|C<4>,4|C<3>,4|F<1>}	H(C[5]B[5]C[5]H)	109.1455	0.049	2	109.1455	0.002	2	109.9227	0.285	17	109.9227	0.285	17	109.6193	7.095	127	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5]	B[5]	H	4:4:1:1:	3:3:4:3:	4:	B[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:N[5]-3:	C[5]-4:	C[5](B[5]C[6a]2N[5])(C[5]P[5]HH)(H)2	B[5](C[6a]C[6a]2)2(C[5]C[5]HH)(N[5]P[5]H)	H(C[5]B[5]C[5]H)	C[5](B[5]C[6a]2N[5])(C[5]P[5]HH)(H)2{1|H<1>,6|C<3>}	B[5](C[6a]C[6a]2)2(C[5]C[5]HH)(N[5]P[5]H){2|H<1>,4|F<1>,6|C<3>}	H(C[5]B[5]C[5]H)	110.4230	0.052	2	110.4230	0.003	2	109.9227	0.285	17	109.9227	0.285	17	109.6193	7.095	127	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5]	B[5]	H	4:4:1:1:	3:3:4:3:	4:	B[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:N[5]-3:	C[5]-4:	C[5](B[5]C[6a]2N[5])(C[5]P[5]HH)(H)2	B[5](C[6a]C[6a]2)2(C[5]C[5]HH)(N[5]P[5]N)	H(C[5]B[5]C[5]H)	C[5](B[5]C[6a]2N[5])(C[5]P[5]HH)(H)2{1|N<2>,6|C<3>}	B[5](C[6a]C[6a]2)2(C[5]C[5]HH)(N[5]P[5]N){2|H<1>,4|F<1>,6|C<3>}	H(C[5]B[5]C[5]H)	108.9275	0.005	2	108.9275	0.000	2	109.9227	0.285	17	109.9227	0.285	17	109.6193	7.095	127	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5]	B[5]	H	4:4:1:1:	3:3:4:3:	4:	B[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:N[5]-3:	C[5]-4:	C[5](B[5]C[6a]2N[5])(C[5]P[5]HH)(H)2	B[5](C[6a]C[6a]2)2(C[5]C[5]HH)(N[5]P[5]O)	H(C[5]B[5]C[5]H)	C[5](B[5]C[6a]2N[5])(C[5]P[5]HH)(H)2{1|O<2>,6|C<3>}	B[5](C[6a]C[6a]2)2(C[5]C[5]HH)(N[5]P[5]O){2|H<1>,4|F<1>,6|C<3>}	H(C[5]B[5]C[5]H)	110.4430	0.000	1	110.4430	0.000	1	109.9227	0.285	17	109.9227	0.285	17	109.6193	7.095	127	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5]	B[5]	H	4:4:1:1:	3:3:4:4:	4:	B[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](B[5]C[6a]2C[5])(C[5]C[5]CH)(H)2	B[5](C[6a]C[6a]2)2(C[5]C[5]HH)2	H(C[5]B[5]C[5]H)	C[5](B[5]C[6a]2C[5])(C[5]C[5]CH)(H)2{1|P<4>,3|H<1>,4|C<3>}	B[5](C[6a]C[6a]2)2(C[5]C[5]HH)2{1|C<4>,1|P<4>,2|H<1>,4|C<3>,4|F<1>}	H(C[5]B[5]C[5]H)	110.6930	0.034	2	110.6930	0.001	2	110.8672	0.234	8	110.7050	0.299	10	109.6193	7.095	127	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5]	B[5]	H	4:4:1:1:	3:3:4:4:	4:	B[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](B[5]C[6a]2C[5])(C[5]C[5]HH)(H)2	B[5](C[6a]C[6a]2)2(C[5]C[5]HH)2	H(C[5]B[5]C[5]H)	C[5](B[5]C[6a]2C[5])(C[5]C[5]HH)(H)2{1|P<4>,3|H<1>,4|C<3>}	B[5](C[6a]C[6a]2)2(C[5]C[5]HH)2{1|P<4>,3|H<1>,4|C<3>,4|F<1>}	H(C[5]B[5]C[5]H)	110.3435	0.019	2	110.3435	0.000	2	110.8672	0.234	8	110.7050	0.299	10	109.6193	7.095	127	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5]	B[5]	H	4:4:1:1:	3:3:4:4:	4:	B[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](B[5]C[6a]2C[5])(C[5]C[5]HP)(H)2	B[5](C[6a]C[6a]2)2(C[5]C[5]HH)2	H(C[5]B[5]C[5]H)	C[5](B[5]C[6a]2C[5])(C[5]C[5]HP)(H)2{1|C<4>,3|H<1>,4|C<3>}	B[5](C[6a]C[6a]2)2(C[5]C[5]HH)2{1|C<4>,1|P<4>,2|H<1>,4|C<3>,4|F<1>}	H(C[5]B[5]C[5]H)	110.8500	0.038	2	111.2163	0.180	4	110.8672	0.234	8	110.7050	0.299	10	109.6193	7.095	127	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5]	B[5]	H	4:4:1:1:	3:3:4:4:	4:	B[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](B[5]C[6a]2C[5])(C[5]C[5]HP)(H)2	B[5](C[6a]C[6a]2)2(C[5]C[5]HH)2	H(C[5]B[5]C[5]H)	C[5](B[5]C[6a]2C[5])(C[5]C[5]HP)(H)2{4|C<3>,4|H<1>}	B[5](C[6a]C[6a]2)2(C[5]C[5]HH)2{1|P<4>,3|H<1>,4|C<3>,4|F<1>}	H(C[5]B[5]C[5]H)	111.5825	0.033	2	111.2163	0.180	4	110.8672	0.234	8	110.7050	0.299	10	109.6193	7.095	127	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5]	B[5]	H	4:4:1:1:	3:3:4:4:	4:	B[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:P[5]-4:	C[5]-4:	C[5](B[5]C[6a]2P[5])(C[5]C[5]HH)(H)2	B[5](C[6a]C[6a]2)2(C[5]C[5]HH)(P[5]C[5]CC)	H(C[5]B[5]C[5]H)	C[5](B[5]C[6a]2P[5])(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>,4|C<3>}	B[5](C[6a]C[6a]2)2(C[5]C[5]HH)(P[5]C[5]CC){4|C<3>,4|F<1>,4|H<1>}	H(C[5]B[5]C[5]H)	110.0560	0.014	2	110.0560	0.000	2	110.0560	0.000	2	110.7050	0.299	10	109.6193	7.095	127	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5]	B[5]	H	4:4:1:1:	3:4:1:1:	4:	B[5]-4:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:Br-1:Br-1:	C[5]-4:	C[5](B[5]C[5,5]Br2)(C[5]N[5,5]CC)(H)2	B[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(Br)2	H(C[5]B[5]C[5]H)	C[5](B[5]C[5,5]Br2)(C[5]N[5,5]CC)(H)2{1|C<3>,1|N<3>}	B[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(Br)2{2|C<3>,3|C<4>}	H(C[5]B[5]C[5]H)	110.7720	0.097	5	110.7720	0.009	5	110.7720	0.009	5	110.7720	0.009	5	109.6193	7.095	127	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5]	B[5]	H	4:4:1:1:	3:4:4:1:	4:	B[5]-4:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C-4:Cl-1:	C[5]-4:	C[5](B[5]C[5,5]ClC)(C[5]N[5,5]CC)(H)2	B[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(CC3)(Cl)	H(C[5]B[5]C[5]H)	C[5](B[5]C[5,5]ClC)(C[5]N[5,5]CC)(H)2{1|C<3>,1|N<3>}	B[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(CC3)(Cl){2|C<3>,3|C<4>}	H(C[5]B[5]C[5]H)	109.5870	0.021	2	109.5870	0.000	2	109.5870	0.000	2	110.0126	0.151	5	109.6193	7.095	127	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5]	B[5]	H	4:4:1:1:	3:4:4:1:	4:	B[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](B[5]C[6a]C[5]H)(C[5]P[5]HH)(H)2	B[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]P[5]CH)(H)	H(C[5]B[5]C[5]H)	C[5](B[5]C[6a]C[5]H)(C[5]P[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	B[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]P[5]CH)(H){2|F<1>,3|C<3>,3|H<1>}	H(C[5]B[5]C[5]H)	110.2963	0.020	3	110.2963	0.000	3	110.2963	0.000	3	110.0126	0.151	5	109.6193	7.095	127	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5]	B[5]	H	4:4:1:1:	3:4:4:2:	4:	B[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](B[5]C[6a]C[5]O)(C[5]P[5]HH)(H)2	B[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]P[5]CH)(OC)	H(C[5]B[5]C[5]H)	C[5](B[5]C[6a]C[5]O)(C[5]P[5]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	B[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]P[5]CH)(OC){1|C<4>,2|F<1>,2|H<1>,3|C<3>}	H(C[5]B[5]C[5]H)	110.2990	0.025	2	110.2990	0.001	2	110.2990	0.001	2	110.2990	0.001	2	109.6193	7.095	127	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5]	B[5]	H	4:4:1:1:	3:4:4:3:	4:	B[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:S-3:	C[5]-4:	C[5](B[5]C[6a]C[5]S)(C[5]P[5]HH)(H)2	B[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]P[5]CH)(SCC)	H(C[5]B[5]C[5]H)	C[5](B[5]C[6a]C[5]S)(C[5]P[5]HH)(H)2{1|B<4>,1|C<4>,1|H<1>,3|C<3>}	B[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]P[5]CH)(SCC){1|B<4>,2|F<1>,2|H<1>,3|C<3>}	H(C[5]B[5]C[5]H)	110.2440	0.025	2	110.2440	0.001	2	110.2440	0.001	2	110.2440	0.001	2	109.6193	7.095	127	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5]	B[5]	H	4:4:1:1:	4:3:3:4:	4:	B[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](B[5]C[5,6]C[6a]2)(C[5]P[5,6]HH)(H)2	B[5](C[5,6]P[5,6]O[6]H)(C[6a]C[6a]2)2(C[5]C[5]HH)	H(C[5]B[5]C[5]H)	C[5](B[5]C[5,6]C[6a]2)(C[5]P[5,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,5|C<3>}	B[5](C[5,6]P[5,6]O[6]H)(C[6a]C[6a]2)2(C[5]C[5]HH){1|B<3>,1|C<4>,2|H<1>,4|F<1>,5|C<3>}	H(C[5]B[5]C[5]H)	109.0955	0.016	2	109.0955	0.000	2	109.0955	0.000	2	109.4790	0.174	6	109.6193	7.095	127	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5]	B[5]	H	4:4:1:1:	4:3:3:4:	4:	B[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](B[5]C[6a]2N[5])(C[5]C[5]HH)(H)2	B[5](N[5]C[6a]C[5]C)(C[6a]C[6a]2)2(C[5]C[5]HH)	H(C[5]B[5]C[5]H)	C[5](B[5]C[6a]2N[5])(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,5|C<3>}	B[5](N[5]C[6a]C[5]C)(C[6a]C[6a]2)2(C[5]C[5]HH){4|F<1>,4|H<1>,6|C<3>}	H(C[5]B[5]C[5]H)	109.9980	0.027	2	109.9980	0.001	2	109.9980	0.001	2	109.4790	0.174	6	109.6193	7.095	127	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5]	B[5]	H	4:4:1:1:	4:3:3:4:	4:	B[5]-4:C[5]-4:H-1:H-1:	P[5]-4:C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](B[5]C[6a]2P[5])(C[5]C[5]HH)(H)2	B[5](P[5]C[6a]C[5]C)(C[6a]C[6a]2)2(C[5]C[5]HH)	H(C[5]B[5]C[5]H)	C[5](B[5]C[6a]2P[5])(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,5|C<3>}	B[5](P[5]C[6a]C[5]C)(C[6a]C[6a]2)2(C[5]C[5]HH){4|F<1>,4|H<1>,6|C<3>}	H(C[5]B[5]C[5]H)	109.3435	0.009	2	109.3435	0.000	2	109.3435	0.000	2	109.4790	0.174	6	109.6193	7.095	127	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5]	B[5]	H	4:4:1:1:	4:4:1:1:	4:	B[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:Br-1:Br-1:	C[5]-4:	C[5](B[5]C[5]Br2)(C[5]N[5]CH)(H)2	B[5](C[5]C[5]HH)(C[5]N[5]HN)(Br)2	H(C[5]B[5]C[5]H)	C[5](B[5]C[5]Br2)(C[5]N[5]CH)(H)2{1|C<4>,1|H<1>,1|N<3>}	B[5](C[5]C[5]HH)(C[5]N[5]HN)(Br)2{1|H<1>,2|C<4>}	H(C[5]B[5]C[5]H)	110.9020	0.018	2	110.9020	0.000	2	110.9020	0.000	2	110.9020	0.000	2	109.6193	7.095	127	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5]	B[5]	H	4:4:2:1:	3:3:4:2:	4:	B[5]-4:P-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:	C[5](B[5]C[6a]2O[5])(PC[6a]2C)(O[5]S[5])(H)	B[5](C[6a]C[6a]2)2(C[5]O[5]HP)(O[5]S[5])	H(C[5]B[5]O[5]P)	C[5](B[5]C[6a]2O[5])(PC[6a]2C)(O[5]S[5])(H){1|O<2>,4|C<3>}	B[5](C[6a]C[6a]2)2(C[5]O[5]HP)(O[5]S[5]){1|O<2>,4|C<3>,4|F<1>}	H(C[5]B[5]O[5]P)	106.8605	2.005	2	106.8605	4.019	2	106.8605	4.019	2	106.8605	4.019	2	109.6193	7.095	127	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5]	B[5]	H	4:4:3:1:	4:3:2:1:	4:	B[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:	C[5](B[5]C[5]O[5]H)(C[5]C[5]HH)(COO)(H)	B[5](C[5]C[5]CH)(C[5]N[5]2)(O[5]C[5])(H)	H(C[5]B[5]C[5]C)	C[5](B[5]C[5]O[5]H)(C[5]C[5]HH)(COO)(H){1|O<1>,2|N<3>}	B[5](C[5]C[5]CH)(C[5]N[5]2)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]B[5]C[5]C)	111.2430	0.835	3	111.3288	0.332	6	111.3288	0.332	6	111.3288	0.332	6	109.6193	7.095	127	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5]	B[5]	H	4:4:3:1:	4:3:2:1:	4:	B[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:	C[5](B[5]C[5]O[5]H)(C[5]C[5]HH)(COO)(H)	B[5](C[5]C[5]CH)(C[5]N[5]2)(O[5]C[5])(H)	H(C[5]B[5]C[5]C)	C[5](B[5]C[5]O[5]H)(C[5]C[5]HH)(COO)(H){1|O<1>,2|N<3>}	B[5](C[5]C[5]CH)(C[5]N[5]2)(O[5]C[5])(H){1|O<1>,2|H<1>,4|C<3>}	H(C[5]B[5]C[5]C)	111.4147	0.332	3	111.3288	0.332	6	111.3288	0.332	6	111.3288	0.332	6	109.6193	7.095	127	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5]	B[5]	H	4:4:3:1:	4:3:3:3:	4:	B[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](B[5]C[6a]2N[5])(C[5]C[6a]P[5]H)(C[6a]C[6a]2)(H)	B[5](C[5]C[6a]C[5]H)(N[5]C[6a]P[5])(C[6a]C[6a]2)2	H(C[5]C[6a]B[5]C[5])	C[5](B[5]C[6a]2N[5])(C[5]C[6a]P[5]H)(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,9|C<3>}	B[5](C[5]C[6a]C[5]H)(N[5]C[6a]P[5])(C[6a]C[6a]2)2{1|H<1>,2|C<4>,4|F<1>,9|C<3>}	H(C[5]C[6a]B[5]C[5])	108.4810	0.000	1	108.4810	0.000	1	108.4810	0.000	1	108.4810	0.000	1	109.6193	7.095	127	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5]	B[5]	H	4:4:4:1:	3:3:4:1:	4:	B[5]-4:C[5]-4:C-4:H-1:	C[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](B[5]C[5,5]C[6a]H)(C[5]N[5,5]HH)(CH3)(H)	B[5](C[5,5]N[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]B[5]C[5]C)	C[5](B[5]C[5,5]C[6a]H)(C[5]N[5,5]HH)(CH3)(H){1|N<3>,3|C<3>}	B[5](C[5,5]N[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,3|H<1>,5|C<3>}	H(C[5]B[5]C[5]C)	109.5280	0.000	1	109.5663	0.192	3	109.5663	0.192	3	109.5663	0.192	3	109.6193	7.095	127	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5]	B[5]	H	4:4:4:1:	3:3:4:1:	4:	B[5]-4:C[5]-4:C-4:H-1:	C[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](B[5]C[5,5]C[6a]H)(C[5]N[5,5]HH)(CH3)(H)	B[5](C[5,5]N[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	H(C[5]B[5]C[5]C)	C[5](B[5]C[5,5]C[6a]H)(C[5]N[5,5]HH)(CH3)(H){1|N<3>,3|C<3>}	B[5](C[5,5]N[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){2|C<4>,2|H<1>,5|C<3>}	H(C[5]B[5]C[5]C)	109.5855	0.617	2	109.5663	0.192	3	109.5663	0.192	3	109.5663	0.192	3	109.6193	7.095	127	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5]	B[5]	H	4:4:4:1:	3:3:4:2:	4:	B[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:	C[5](B[5]C[6a]2O[5])(C[5]C[5]HH)(CN[6]HH)(H)	B[5](C[6a]C[6a]2)2(C[5]C[5]CH)(O[5]C[5])	H(C[5]B[5]C[5]C)	C[5](B[5]C[6a]2O[5])(C[5]C[5]HH)(CN[6]HH)(H){2|C<4>,4|C<3>}	B[5](C[6a]C[6a]2)2(C[5]C[5]CH)(O[5]C[5]){2|C<4>,2|H<1>,4|C<3>,4|F<1>}	H(C[5]B[5]C[5]C)	105.2590	0.000	1	105.2590	0.000	1	105.2590	0.000	1	105.6310	19.711	3	109.6193	7.095	127	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5]	B[5]	H	4:4:4:1:	3:3:4:2:	4:	B[5]-4:P[5]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:	C[5](B[5]C[6a]2O[5])(P[5]C[6a]2C[5])(CCHH)(H)	B[5](C[6a]C[6a]2)2(C[5]P[5]CH)(O[5]C[5])	H(C[5]B[5]P[5]C)	C[5](B[5]C[6a]2O[5])(P[5]C[6a]2C[5])(CCHH)(H){1|H<1>,9|C<3>}	B[5](C[6a]C[6a]2)2(C[5]P[5]CH)(O[5]C[5]){1|H<1>,4|F<1>,7|C<3>}	H(C[5]B[5]P[5]C)	105.8170	6.262	2	105.8170	39.214	2	105.8170	39.214	2	105.6310	19.711	3	109.6193	7.095	127	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5]	B[5]	H	4:4:4:1:	3:4:4:1:	4:	B[5]-4:P[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](B[5]C[6a]C[5]H)(P[5]C[6a]C[5]H)(CH3)(H)	B[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]P[5]CH)(H)	H(C[5]B[5]P[5]C)	C[5](B[5]C[6a]C[5]H)(P[5]C[6a]C[5]H)(CH3)(H){4|C<3>,4|H<1>}	B[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]P[5]CH)(H){2|F<1>,3|C<3>,3|H<1>}	H(C[5]B[5]P[5]C)	109.6315	0.508	2	109.6315	0.258	2	109.6315	0.258	2	109.6315	0.258	2	109.6193	7.095	127	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5]	B[5]	H	4:4:4:1:	3:4:4:2:	4:	B[5]-4:P[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](B[5]C[6a]C[5]O)(P[5]C[6a]C[5]C)(CH3)(H)	B[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]P[5]CH)(OC)	H(C[5]B[5]P[5]C)	C[5](B[5]C[6a]C[5]O)(P[5]C[6a]C[5]C)(CH3)(H){4|C<3>,4|H<1>}	B[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]P[5]CH)(OC){1|C<4>,2|F<1>,2|H<1>,3|C<3>}	H(C[5]B[5]P[5]C)	111.6220	0.000	1	111.6220	0.000	1	111.6220	0.000	1	111.6220	0.000	1	109.6193	7.095	127	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5]	B[5]	H	4:4:4:1:	3:4:4:3:	4:	B[5]-4:P[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-4:S-3:	C[5]-4:	C[5](B[5]C[6a]C[5]S)(P[5]C[6a]C[5]B)(CH3)(H)	B[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]P[5]CH)(SCC)	H(C[5]B[5]P[5]C)	C[5](B[5]C[6a]C[5]S)(P[5]C[6a]C[5]B)(CH3)(H){4|C<3>,4|H<1>}	B[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]P[5]CH)(SCC){1|B<4>,2|F<1>,2|H<1>,3|C<3>}	H(C[5]B[5]P[5]C)	109.8390	0.000	1	109.8390	0.000	1	109.8390	0.000	1	109.8390	0.000	1	109.6193	7.095	127	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5]	B[5]	H	4:4:4:1:	4:3:3:3:	4:	B[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:	C[5](B[5]C[6a]2N[5])(C[5]P[5]HH)(SiC3)(H)	B[5](C[5]C[5]SiH)(C[6a]C[6a]2)2(N[5]P[5]O)	H(C[5]B[5]C[5]Si)	C[5](B[5]C[6a]2N[5])(C[5]P[5]HH)(SiC3)(H){1|O<1>,6|C<3>}	B[5](C[5]C[5]SiH)(C[6a]C[6a]2)2(N[5]P[5]O){2|H<1>,4|F<1>,6|C<3>}	H(C[5]B[5]C[5]Si)	105.3890	0.000	1	104.9150	0.449	2	104.9150	0.449	2	104.9150	0.449	2	109.6193	7.095	127	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5]	B[5]	H	4:4:4:1:	4:3:3:3:	4:	B[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:	C[5](B[5]C[6a]2N[5])(C[5]P[5]HH)(SiC3)(H)	B[5](C[5]C[5]SiH)(C[6a]C[6a]2)2(N[5]P[5]O)	H(C[5]B[5]C[5]Si)	C[5](B[5]C[6a]2N[5])(C[5]P[5]HH)(SiC3)(H){1|O<2>,6|C<3>}	B[5](C[5]C[5]SiH)(C[6a]C[6a]2)2(N[5]P[5]O){2|H<1>,4|F<1>,6|C<3>}	H(C[5]B[5]C[5]Si)	104.4410	0.000	1	104.9150	0.449	2	104.9150	0.449	2	104.9150	0.449	2	109.6193	7.095	127	109.5765	7.331	181
474	786	951	0:SP3_SP-NON_SP3	C[5]	B[5]	H	4:4:4:1:	4:4:2:2:	4:	B[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:O-2:O-2:	C[5]-4:	C[5](B[5]N[5]OO)(C[5]C[5]HH)(CH3)(H)	B[5](C[5]C[5]CH)(N[5]C[5]HH)(OC)2	H(C[5]B[5]C[5]C)	C[5](B[5]N[5]OO)(C[5]C[5]HH)(CH3)(H){4|H<1>}	B[5](C[5]C[5]CH)(N[5]C[5]HH)(OC)2{4|H<1>}	H(C[5]B[5]C[5]C)	107.0545	2.928	2	107.0545	8.574	2	107.0545	8.574	2	107.0545	8.574	2	109.6193	7.095	127	109.5765	7.331	181
474	786	955	0:SP3_SP3_SP3	C[5,5]	B[5]	P[5]	4:4:4:1:	4:3:3:3:	4:3:3:4:	C[5,5]-4:B[5]-4:P[5]-4:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:O[5]-3:	C[5,5]-4:C[6a]-3:C[6a]-3:C[5]-4:	C[5,5](C[5,5]B[5]C[5]H)(B[5]C[6a]2O[5])(P[5]C[6a]2C[5])(H)	B[5](C[5,5]C[5,5]P[5]H)(C[6a]C[6a]2)2(O[5]B[5]C)	P[5](C[5,5]C[5,5]B[5]H)(C[6a]C[6a]2)2(C[5]C[5]HH)	C[5,5](C[5,5]B[5]C[5]H)(B[5]C[6a]2O[5])(P[5]C[6a]2C[5])(H){10|C<3>,2|C<4>,3|H<1>}	B[5](C[5,5]C[5,5]P[5]H)(C[6a]C[6a]2)2(O[5]B[5]C){1|H<1>,2|C<4>,4|F<1>,8|C<3>}	P[5](C[5,5]C[5,5]B[5]H)(C[6a]C[6a]2)2(C[5]C[5]HH){1|B<4>,1|C<4>,1|O<3>,6|C<3>,6|H<1>}	129.7400	0.000	1	129.7400	0.000	1	129.7400	0.000	1	129.7400	0.000	1	129.7400	0.000	1	129.7400	0.000	1
474	786	955	5:SP3_SP3_SP3	C[5,5]	B[5,5,6]	P[5,5,6]	4:4:4:1:	4:3:3:3:	3:3:4:3:	B[5,5,6]-4:P[5,5,6]-4:C-4:H-1:	C[5,5]-4:C[5,6]-3:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[5,6]-3:C[5,5]-4:C[6a]-3:	C[5,5](B[5,5,6]C[5,6]2C[6a])(P[5,5,6]C[5,6]2C[6a])(CH3)(H)	B[5,5,6](C[5,5]P[5,5,6]CH)(C[5,6]C[5,6]H)2(C[6a]C[6a]2)	P[5,5,6](C[5,6]C[5,6]C[6a])2(C[5,5]B[5,5,6]CH)(C[6a]C[6a]2)	C[5,5](B[5,5,6]C[5,6]2C[6a])(P[5,5,6]C[5,6]2C[6a])(CH3)(H){2|H<1>,6|C<3>}	B[5,5,6](C[5,5]P[5,5,6]CH)(C[5,6]C[5,6]H)2(C[6a]C[6a]2){2|F<1>,5|C<3>}	P[5,5,6](C[5,6]C[5,6]C[6a])2(C[5,5]B[5,5,6]CH)(C[6a]C[6a]2){2|C<4>,2|H<1>,7|C<3>}	88.7493	0.597	2	88.7493	0.356	2	88.7493	0.356	2	88.7493	0.356	2	89.5316	0.670	5	102.3787	50.405	28
474	786	955	5:SP3_SP3_SP3	C[5,5]	B[5,5,6]	P[5,5,6]	4:4:4:1:	4:4:2:3:	4:4:4:3:	B[5,5,6]-4:P[5,5,6]-4:C-4:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C[6a]-3:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C[6a]-3:	C[5,5](B[5,5,6]C[5,6]O[5,6]C[6a])(P[5,5,6]C[5,6]2C[6a])(CH3)(H)	B[5,5,6](C[5,5]P[5,5,6]CH)(C[5,6]C[5,6]HH)(O[5,6]C[5,6])(C[6a]C[6a]2)	P[5,5,6](C[5,6]O[5,6]C[6a]H)(C[5,5]B[5,5,6]CH)(C[5,6]C[5,6]HH)(C[6a]C[6a]2)	C[5,5](B[5,5,6]C[5,6]O[5,6]C[6a])(P[5,5,6]C[5,6]2C[6a])(CH3)(H){5|C<3>,5|H<1>}	B[5,5,6](C[5,5]P[5,5,6]CH)(C[5,6]C[5,6]HH)(O[5,6]C[5,6])(C[6a]C[6a]2){2|F<1>,3|H<1>,4|C<3>}	P[5,5,6](C[5,6]O[5,6]C[6a]H)(C[5,5]B[5,5,6]CH)(C[5,6]C[5,6]HH)(C[6a]C[6a]2){2|C<4>,2|H<1>,5|C<3>}	90.0532	0.377	3	90.0532	0.142	3	90.0532	0.142	3	90.0532	0.142	3	89.5316	0.670	5	102.3787	50.405	28
474	786	955	5:SP3_SP3_SP3	C[5,6]	B[5]	P[5,6]	4:4:2:1:	4:3:3:4:	4:3:4:4:	P[5,6]-4:B[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:C[5]-4:	C[5,6]-4:C[6a]-3:C[5]-4:C[6]-4:	C[5,6](P[5,6]C[6a]C[5]C[6])(B[5]C[6a]2C[5])(O[6]B[6])(H)	B[5](C[5,6]P[5,6]O[6]H)(C[6a]C[6a]2)2(C[5]C[5]HH)	P[5,6](C[5,6]B[5]O[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6](P[5,6]C[6a]C[5]C[6])(B[5]C[6a]2C[5])(O[6]B[6])(H){1|C<4>,6|H<1>,7|C<3>}	B[5](C[5,6]P[5,6]O[6]H)(C[6a]C[6a]2)2(C[5]C[5]HH){1|B<3>,1|C<4>,2|H<1>,4|F<1>,5|C<3>}	P[5,6](C[5,6]B[5]O[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH){1|B<3>,2|C<4>,4|C<3>,4|H<1>}	104.7120	0.000	1	104.7120	0.000	1	104.7120	0.000	1	104.7120	0.000	1	104.7120	0.000	1	102.3787	50.405	28
474	786	955	5:SP3_SP3_SP3	C[5]	B[5]	P[5]	4:4:1:1:	3:3:3:4:	4:3:4:4:	B[5]-4:P[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C-4:C-4:	C[5](B[5]C[6a]2N[5])(P[5]C[5]CC)(H)2	B[5](N[5]C[6a]C[5])(C[6a]C[6a]2)2(C[5]P[5]HH)	P[5](C[5]B[5]HH)(C[5]N[5]C)(CC3)2	C[5](B[5]C[6a]2N[5])(P[5]C[5]CC)(H)2{1|C<4>,5|C<3>}	B[5](N[5]C[6a]C[5])(C[6a]C[6a]2)2(C[5]P[5]HH){3|C<4>,4|H<1>,6|C<3>}	P[5](C[5]B[5]HH)(C[5]N[5]C)(CC3)2{3|C<3>}	109.7820	0.000	1	109.7820	0.000	1	109.7820	0.000	1	109.7820	0.000	1	105.1924	16.828	22	102.3787	50.405	28
474	786	955	5:SP3_SP3_SP3	C[5]	B[5]	P[5]	4:4:1:1:	3:3:4:1:	3:4:4:4:	B[5]-4:P[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:Cl-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5](B[5]C[5,6a]C[6a]Cl)(P[5]C[5,6a]CC)(H)2	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(Cl)	P[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]HH)(CC3)2	C[5](B[5]C[5,6a]C[6a]Cl)(P[5]C[5,6a]CC)(H)2{4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(Cl){1|F<1>,2|C<4>,2|H<1>,4|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]HH)(CC3)2{1|Cl<1>,1|F<1>,3|C<3>}	107.8840	0.000	1	107.8370	0.004	2	107.8370	0.004	2	107.7233	0.305	4	105.1924	16.828	22	102.3787	50.405	28
474	786	955	5:SP3_SP3_SP3	C[5]	B[5]	P[5]	4:4:1:1:	3:3:4:1:	3:4:4:4:	B[5]-4:P[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:Cl-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5](B[5]C[5,6a]C[6a]Cl)(P[5]C[5,6a]CC)(H)2	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(Cl)	P[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]HH)(CC3)2	C[5](B[5]C[5,6a]C[6a]Cl)(P[5]C[5,6a]CC)(H)2{4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(Cl){2|C<4>,3|F<1>,4|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]HH)(CC3)2{1|Cl<1>,1|F<1>,3|C<3>}	107.7900	0.000	1	107.8370	0.004	2	107.8370	0.004	2	107.7233	0.305	4	105.1924	16.828	22	102.3787	50.405	28
474	786	955	5:SP3_SP3_SP3	C[5]	B[5]	P[5]	4:4:1:1:	3:3:4:1:	3:4:4:4:	B[5]-4:P[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:F-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5](B[5]C[5,6a]C[6a]F)(P[5]C[5,6a]CC)(H)2	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(F)	P[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]HH)(CC3)2	C[5](B[5]C[5,6a]C[6a]F)(P[5]C[5,6a]CC)(H)2{4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(F){2|C<4>,3|F<1>,4|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]HH)(CC3)2{2|F<1>,3|C<3>}	108.2650	0.000	1	108.2650	0.000	1	108.2650	0.000	1	107.7233	0.305	4	105.1924	16.828	22	102.3787	50.405	28
474	786	955	5:SP3_SP3_SP3	C[5]	B[5]	P[5]	4:4:1:1:	3:3:4:1:	3:4:4:4:	B[5]-4:P[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5](B[5]C[5,6a]C[6a]H)(P[5]C[5,6a]CC)(H)2	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(H)	P[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]HH)(CC3)2	C[5](B[5]C[5,6a]C[6a]H)(P[5]C[5,6a]CC)(H)2{4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(H){2|C<4>,3|F<1>,4|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]HH)(CC3)2{1|F<1>,1|H<1>,3|C<3>}	106.9540	0.000	1	106.9540	0.000	1	106.9540	0.000	1	107.7233	0.305	4	105.1924	16.828	22	102.3787	50.405	28
474	786	955	5:SP3_SP3_SP3	C[5]	B[5]	P[5]	4:4:1:1:	3:3:4:2:	3:4:4:4:	B[5]-4:P[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:O-2:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5](B[5]C[5,6a]C[6a]O)(P[5]C[5,6a]CC)(H)2	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(OC)	P[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]HH)(CC3)2	C[5](B[5]C[5,6a]C[6a]O)(P[5]C[5,6a]CC)(H)2{4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(OC){2|C<4>,3|F<1>,4|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]HH)(CC3)2{1|F<1>,1|O<2>,3|C<3>}	108.4134	0.594	5	108.4134	0.353	5	108.3195	0.335	6	108.0331	0.853	7	105.1924	16.828	22	102.3787	50.405	28
474	786	955	5:SP3_SP3_SP3	C[5]	B[5]	P[5]	4:4:1:1:	3:3:4:2:	3:4:4:4:	B[5]-4:P[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:O-2:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5](B[5]C[5,6a]C[6a]O)(P[5]C[5,6a]CC)(H)2	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(OS)	P[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]HH)(CC3)2	C[5](B[5]C[5,6a]C[6a]O)(P[5]C[5,6a]CC)(H)2{4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(OS){2|C<4>,3|F<1>,4|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]HH)(CC3)2{1|F<1>,1|O<2>,3|C<3>}	107.8500	0.000	1	107.8500	0.000	1	108.3195	0.335	6	108.0331	0.853	7	105.1924	16.828	22	102.3787	50.405	28
474	786	955	5:SP3_SP3_SP3	C[5]	B[5]	P[5]	4:4:1:1:	3:3:4:2:	3:4:4:4:	B[5]-4:P[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[5]-4:C-4:C-4:	C[5](B[5]C[6a]2N[5])(P[5]C[5]CC)(H)2	B[5](C[6a]C[6a]2)2(C[5]P[5]HH)(N[5]C[5])	P[5](C[5]C[6a]N[5])(C[5]B[5]HH)(CC3)2	C[5](B[5]C[6a]2N[5])(P[5]C[5]CC)(H)2{5|C<3>}	B[5](C[6a]C[6a]2)2(C[5]P[5]HH)(N[5]C[5]){2|C<4>,4|H<1>,5|C<3>}	P[5](C[5]C[6a]N[5])(C[5]B[5]HH)(CC3)2{4|C<3>}	106.3150	0.000	1	106.3150	0.000	1	106.3150	0.000	1	108.0331	0.853	7	105.1924	16.828	22	102.3787	50.405	28
474	786	955	5:SP3_SP3_SP3	C[5]	B[5]	P[5]	4:4:1:1:	3:3:4:2:	4:3:4:4:	B[5]-4:P[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:C[5]-3:C-4:C-4:	C[5](B[5]C[6a]2N[5])(P[5]C[5]CC)(H)2	B[5](C[6a]C[6a]2)2(C[5]P[5]HH)(N[5]C[5])	P[5](C[5]B[5]HH)(C[5]N[5]C)(CC3)2	C[5](B[5]C[6a]2N[5])(P[5]C[5]CC)(H)2{1|C<4>,4|C<3>}	B[5](C[6a]C[6a]2)2(C[5]P[5]HH)(N[5]C[5]){3|C<4>,4|C<3>,4|H<1>}	P[5](C[5]B[5]HH)(C[5]N[5]C)(CC3)2{2|C<3>}	105.3335	1.377	2	105.3335	1.895	2	105.3335	1.895	2	105.3032	0.635	4	105.1924	16.828	22	102.3787	50.405	28
474	786	955	5:SP3_SP3_SP3	C[5]	B[5]	P[5]	4:4:1:1:	3:3:4:2:	4:3:4:4:	B[5]-4:P[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:C[5]-3:C-4:C-4:	C[5](B[5]C[6a]2O[5])(P[5]C[5]CC)(H)2	B[5](C[6a]C[6a]2)2(C[5]P[5]HH)(O[5]C[5])	P[5](C[5]B[5]HH)(C[5]O[5]N)(CC3)2	C[5](B[5]C[6a]2O[5])(P[5]C[5]CC)(H)2{1|N<2>,4|C<3>}	B[5](C[6a]C[6a]2)2(C[5]P[5]HH)(O[5]C[5]){1|N<2>,2|C<4>,4|C<3>,4|H<1>}	P[5](C[5]B[5]HH)(C[5]O[5]N)(CC3)2{2|C<3>}	105.3210	0.000	1	105.3210	0.000	1	105.2730	0.005	2	105.3032	0.635	4	105.1924	16.828	22	102.3787	50.405	28
474	786	955	5:SP3_SP3_SP3	C[5]	B[5]	P[5]	4:4:1:1:	3:3:4:2:	4:3:4:4:	B[5]-4:P[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:C[5]-3:C-4:C-4:	C[5](B[5]C[6a]2O[5])(P[5]C[5]CC)(H)2	B[5](C[6a]C[6a]2)2(C[5]P[5]HH)(O[5]C[5])	P[5](C[5]B[5]HH)(C[5]O[5]O)(CC3)2	C[5](B[5]C[6a]2O[5])(P[5]C[5]CC)(H)2{1|O<1>,4|C<3>}	B[5](C[6a]C[6a]2)2(C[5]P[5]HH)(O[5]C[5]){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	P[5](C[5]B[5]HH)(C[5]O[5]O)(CC3)2{2|C<3>}	105.2250	0.000	1	105.2250	0.000	1	105.2730	0.005	2	105.3032	0.635	4	105.1924	16.828	22	102.3787	50.405	28
474	786	955	5:SP3_SP3_SP3	C[5]	B[5]	P[5]	4:4:4:1:	3:3:4:2:	3:3:4:4:	B[5]-4:P[5]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-4:	C[5](B[5]C[6a]2O[5])(P[5]C[6a]2C[5])(CCHH)(H)	B[5](C[6a]C[6a]2)2(C[5]P[5]CH)(O[5]C[5])	P[5](C[6a]C[6a]2)2(C[5]B[5]CH)(C[5]O[5]CH)	C[5](B[5]C[6a]2O[5])(P[5]C[6a]2C[5])(CCHH)(H){1|H<1>,9|C<3>}	B[5](C[6a]C[6a]2)2(C[5]P[5]CH)(O[5]C[5]){1|H<1>,4|F<1>,7|C<3>}	P[5](C[6a]C[6a]2)2(C[5]B[5]CH)(C[5]O[5]CH){4|F<1>,6|C<3>}	99.6956	0.000	1	99.6956	0.000	1	99.6956	0.000	1	99.6956	0.000	1	105.1924	16.828	22	102.3787	50.405	28
474	786	955	5:SP3_SP3_SP3	C[5]	B[5]	P[5]	4:4:4:1:	3:3:4:2:	4:3:3:4:	B[5]-4:P[5]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:C[5]-4:	C[5](B[5]C[6a]2O[5])(P[5]C[6a]2C[5])(CCHH)(H)	B[5](C[6a]C[6a]2)2(C[5]P[5]CH)(O[5]C[5])	P[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)2(C[5]B[5]CH)	C[5](B[5]C[6a]2O[5])(P[5]C[6a]2C[5])(CCHH)(H){1|H<1>,9|C<3>}	B[5](C[6a]C[6a]2)2(C[5]P[5]CH)(O[5]C[5]){1|H<1>,4|F<1>,7|C<3>}	P[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)2(C[5]B[5]CH){4|F<1>,8|C<3>}	98.0121	0.000	1	98.0121	0.000	1	98.0121	0.000	1	98.0121	0.000	1	105.1924	16.828	22	102.3787	50.405	28
474	786	955	5:SP3_SP3_SP3	C[5]	B[5]	P[5]	4:4:4:1:	3:4:4:1:	3:4:4:1:	B[5]-4:P[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5](B[5]C[6a]C[5]H)(P[5]C[6a]C[5]H)(CH3)(H)	B[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]P[5]CH)(H)	P[5](C[6a]C[6a]2)(C[5]B[5]CH)(C[5]C[5]HH)(H)	C[5](B[5]C[6a]C[5]H)(P[5]C[6a]C[5]H)(CH3)(H){4|C<3>,4|H<1>}	B[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]P[5]CH)(H){2|F<1>,3|C<3>,3|H<1>}	P[5](C[6a]C[6a]2)(C[5]B[5]CH)(C[5]C[5]HH)(H){2|C<4>,3|C<3>,3|H<1>}	97.8673	1.570	2	97.8673	2.466	2	97.8673	2.466	2	97.8673	2.466	2	105.1924	16.828	22	102.3787	50.405	28
474	786	955	5:SP3_SP3_SP3	C[5]	B[5]	P[5]	4:4:4:1:	3:4:4:2:	3:4:4:4:	B[5]-4:P[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[6a]-3:C[5]-4:C[5]-4:C-4:	C[5](B[5]C[6a]C[5]O)(P[5]C[6a]C[5]C)(CH3)(H)	B[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]P[5]CH)(OC)	P[5](C[6a]C[6a]2)(C[5]B[5]CH)(C[5]C[5]HH)(CC[6a]CH)	C[5](B[5]C[6a]C[5]O)(P[5]C[6a]C[5]C)(CH3)(H){4|C<3>,4|H<1>}	B[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]P[5]CH)(OC){1|C<4>,2|F<1>,2|H<1>,3|C<3>}	P[5](C[6a]C[6a]2)(C[5]B[5]CH)(C[5]C[5]HH)(CC[6a]CH){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	98.1011	0.000	1	98.1011	0.000	1	98.1011	0.000	1	98.1011	0.000	1	105.1924	16.828	22	102.3787	50.405	28
474	786	955	5:SP3_SP3_SP3	C[5]	B[5]	P[5]	4:4:4:1:	3:4:4:3:	3:4:4:4:	B[5]-4:P[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-4:S-3:	C[6a]-3:C[5]-4:C[5]-4:B-4:	C[5](B[5]C[6a]C[5]S)(P[5]C[6a]C[5]B)(CH3)(H)	B[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]P[5]CH)(SCC)	P[5](C[6a]C[6a]2)(C[5]B[5]CH)(C[5]C[5]HH)(BC[6a]HH)	C[5](B[5]C[6a]C[5]S)(P[5]C[6a]C[5]B)(CH3)(H){4|C<3>,4|H<1>}	B[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]P[5]CH)(SCC){1|B<4>,2|F<1>,2|H<1>,3|C<3>}	P[5](C[6a]C[6a]2)(C[5]B[5]CH)(C[5]C[5]HH)(BC[6a]HH){1|S<3>,2|C<4>,2|H<1>,3|C<3>}	104.5700	0.000	1	104.5700	0.000	1	104.5700	0.000	1	104.5700	0.000	1	105.1924	16.828	22	102.3787	50.405	28
474	786	955	6:SP3_SP3_SP3	C[5,6]	B[5,6]	P[5,6]	4:4:4:1:	4:4:3:4:	4:4:3:4:	B[5,6]-4:P[5,6]-4:C-4:H-1:	P[5,6]-4:C[5,6]-4:C[6a]-3:C[5]-4:	B[5,6]-4:C[5,6]-4:C[6a]-3:C[5]-4:	C[5,6](B[5,6]P[5,6]C[6a]C[5])(P[5,6]B[5,6]C[6a]C[5])(CH3)(H)	B[5,6](P[5,6]C[5,6]C[6a]C[5])(C[5,6]P[5,6]CH)(C[6a]C[6a]2)(C[5]C[5]HH)	P[5,6](B[5,6]C[5,6]C[6a]C[5])(C[5,6]B[5,6]CH)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,6](B[5,6]P[5,6]C[6a]C[5])(P[5,6]B[5,6]C[6a]C[5])(CH3)(H){3|C<4>,4|H<1>,6|C<3>}	B[5,6](P[5,6]C[5,6]C[6a]C[5])(C[5,6]P[5,6]CH)(C[6a]C[6a]2)(C[5]C[5]HH){1|B<4>,2|C<4>,2|F<1>,5|C<3>,5|H<1>}	P[5,6](B[5,6]C[5,6]C[6a]C[5])(C[5,6]B[5,6]CH)(C[6a]C[6a]2)(C[5]C[5]HH){1|P<4>,4|C<4>,5|C<3>,5|H<1>}	101.2884	2.949	2	101.2884	8.699	2	101.2884	8.699	2	101.2884	8.699	2	101.2884	8.699	2	101.2884	8.699	2
474	786	956	0:SP3_SP2_SP3	C[5]	B[5]	N	4:3:3:1:	4:4:1:1:	4:4:4:	B[5]-4:N[5]-3:N-3:H-1:	C[5]-4:C[5]-4:Br-1:Br-1:	C[5]-4:C-4:C-4:	C[5](B[5]C[5]Br2)(N[5]C[5]C)(NCC)(H)	B[5](C[5]C[5]HH)(C[5]N[5]HN)(Br)2	N(C[5]B[5]N[5]H)(CCCH)2	C[5](B[5]C[5]Br2)(N[5]C[5]C)(NCC)(H){1|C<4>,3|H<1>}	B[5](C[5]C[5]HH)(C[5]N[5]HN)(Br)2{1|H<1>,2|C<4>}	N(C[5]B[5]N[5]H)(CCCH)2	128.2050	0.000	1	128.2050	0.000	1	128.2050	0.000	1	128.2050	0.000	1	128.2050	0.000	1	128.2050	0.000	1
474	786	976	0:SP3_SP3_SP3	C[5]	B[5,5]	O[5]	4:4:2:1:	4:4:2:2:	4:4:	B[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:N[5,5]-4:O[5]-2:O[5]-2:	C[5]-4:C[5]-4:	C[5](B[5,5]N[5,5]O[5]2)(C[5]C[5]HH)(O[5]C[5])(H)	B[5,5](C[5]C[5]O[5]H)(N[5,5]C[5]2C)(O[5]C[5])2	O[5](C[5]B[5,5]C[5]H)(C[5]C[6a]C[5]H)	C[5](B[5,5]N[5,5]O[5]2)(C[5]C[5]HH)(O[5]C[5])(H){1|Br<1>,2|H<1>,3|C<3>,3|C<4>}	B[5,5](C[5]C[5]O[5]H)(N[5,5]C[5]2C)(O[5]C[5])2{2|C<4>,2|O<1>,6|H<1>}	O[5](C[5]B[5,5]C[5]H)(C[5]C[6a]C[5]H){1|Br<1>,1|N<4>,2|C<3>,2|O<2>,3|H<1>}	109.5143	0.925	3	109.5143	0.856	3	109.5143	0.856	3	109.5143	0.856	3	109.5143	0.856	3	109.5143	0.856	3
474	786	976	5:SP3_SP2_SP3	C[5]	B[5,5]	O[5]	4:2:4:1:	4:2:2:2:	4:3:	B[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:O[5]-2:O[5]-2:	C[5]-4:C[5]-3:	C[5](B[5,5]O[5]3)(O[5]C[5])(CCHH)(H)	B[5,5](C[5]O[5]CH)(O[5]C[5])3	O[5](C[5]B[5,5]CH)(C[5]O[5]N)	C[5](B[5,5]O[5]3)(O[5]C[5])(CCHH)(H){1|N<3>,2|C<4>}	B[5,5](C[5]O[5]CH)(O[5]C[5])3{1|N<3>,4|C<4>}	O[5](C[5]B[5,5]CH)(C[5]O[5]N){2|O<2>}	104.7800	0.055	2	104.7800	0.003	2	104.7800	0.003	2	104.7800	0.003	2	104.7800	0.003	2	103.6146	1.691	5
474	786	976	5:SP3_SP2_SP3	C[5]	B[5]	O[5]	4:2:1:1:	3:3:4:2:	4:3:	B[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:C[5]-3:	C[5](B[5]C[6a]2O[5])(O[5]C[5])(H)2	B[5](C[6a]C[6a]2)2(C[5]O[5]HH)(O[5]C[5])	O[5](C[5]B[5]HH)(C[5]O[5]O)	C[5](B[5]C[6a]2O[5])(O[5]C[5])(H)2{1|O<2>,4|C<3>}	B[5](C[6a]C[6a]2)2(C[5]O[5]HH)(O[5]C[5]){1|O<2>,4|C<3>,4|F<1>}	O[5](C[5]B[5]HH)(C[5]O[5]O){2|C<3>}	102.1480	0.000	1	102.1480	0.000	1	102.1480	0.000	1	102.1480	0.000	1	102.8377	1.116	3	103.6146	1.691	5
474	786	976	5:SP3_SP2_SP3	C[5]	B[5]	O[5]	4:2:4:1:	3:3:4:2:	4:3:	B[5]-4:O[5]-2:C-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:C[5]-3:	C[5](B[5]C[6a]2O[5])(O[5]C[5])(CCCH)(H)	B[5](C[6a]C[6a]2)2(C[5]O[5]CH)(O[5]C[5])	O[5](C[5]B[5]CH)(C[5]O[5]B)	C[5](B[5]C[6a]2O[5])(O[5]C[5])(CCCH)(H){1|B<4>,4|C<3>}	B[5](C[6a]C[6a]2)2(C[5]O[5]CH)(O[5]C[5]){1|B<4>,4|C<3>,4|F<1>}	O[5](C[5]B[5]CH)(C[5]O[5]B){2|C<3>}	102.3110	0.000	1	102.3110	0.000	1	102.3110	0.000	1	102.3110	0.000	1	102.8377	1.116	3	103.6146	1.691	5
474	786	976	5:SP3_SP2_SP3	C[5]	B[5]	O[5]	4:3:2:1:	4:3:3:2:	4:3:	B[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:B[5]-3:	C[5](B[5]C[6a]2O[5])(C[6a]C[6a]2)(O[5]B[5])(H)	B[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)2(O[5]B[5])	O[5](C[5]C[6a]B[5]H)(B[5]O[5]C)	C[5](B[5]C[6a]2O[5])(C[6a]C[6a]2)(O[5]B[5])(H){1|C<4>,2|F<1>,6|C<3>}	B[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)2(O[5]B[5]){1|C<4>,4|F<1>,6|C<3>}	O[5](C[5]C[6a]B[5]H)(B[5]O[5]C){4|C<3>}	104.0540	0.000	1	104.0540	0.000	1	104.0540	0.000	1	104.0540	0.000	1	102.8377	1.116	3	103.6146	1.691	5
474	786	976	5:SP3_SP3_SP3	C[5]	B[5]	O[5]	4:4:2:1:	3:3:4:2:	4:3:	B[5]-4:P-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:S[5]-3:	C[5](B[5]C[6a]2O[5])(PC[6a]2C)(O[5]S[5])(H)	B[5](C[6a]C[6a]2)2(C[5]O[5]HP)(O[5]S[5])	O[5](C[5]B[5]HP)(S[5]O[5]O)	C[5](B[5]C[6a]2O[5])(PC[6a]2C)(O[5]S[5])(H){1|O<2>,4|C<3>}	B[5](C[6a]C[6a]2)2(C[5]O[5]HP)(O[5]S[5]){1|O<2>,4|C<3>,4|F<1>}	O[5](C[5]B[5]HP)(S[5]O[5]O){2|C<3>}	101.6950	0.443	2	101.6950	0.196	2	101.6950	0.196	2	101.6950	0.196	2	101.6950	0.196	2	101.6950	0.196	2
474	786	992	0:SP3_SP3_SP3	C[5]	B[5]	P	4:4:2:1:	3:3:4:2:	4:3:3:4:	B[5]-4:P-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:C-4:	C[5](B[5]C[6a]2O[5])(PC[6a]2C)(O[5]S[5])(H)	B[5](C[6a]C[6a]2)2(C[5]O[5]HP)(O[5]S[5])	P(C[5]B[5]O[5]H)(C[6a]C[6a]2)2(CCHH)	C[5](B[5]C[6a]2O[5])(PC[6a]2C)(O[5]S[5])(H){1|O<2>,4|C<3>}	B[5](C[6a]C[6a]2)2(C[5]O[5]HP)(O[5]S[5]){1|O<2>,4|C<3>,4|F<1>}	P(C[5]B[5]O[5]H)(C[6a]C[6a]2)2(CCHH)	124.4270	4.322	2	124.4270	18.678	2	124.4270	18.678	2	124.4270	18.678	2	124.4270	18.678	2	124.4270	18.678	2
474	786	999	5:SP3_SP3_SP3	C[5,6]	B[5,5,6]	N[5,5,6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	B[5,5,6]-4:N[5,5,6]-4:H-1:H-1:	N[5,5,6]-4:N[5,5,6]-4:C[5,6]-4:H-1:	B[5,5,6]-4:B[5,5,6]-4:C[5,6]-4:H-1:	C[5,6](B[5,5,6]N[5,5,6]2H)(N[5,5,6]B[5,5,6]2H)(H)2	B[5,5,6](N[5,5,6]B[5,5,6]C[5,6]H)2(C[5,6]N[5,5,6]HH)(H)	N[5,5,6](B[5,5,6]N[5,5,6]C[5,6]H)2(C[5,6]B[5,5,6]HH)(H)	C[5,6](B[5,5,6]N[5,5,6]2H)(N[5,5,6]B[5,5,6]2H)(H)2{1|B<4>,1|N<4>,3|C<4>,4|H<1>}	B[5,5,6](N[5,5,6]B[5,5,6]C[5,6]H)2(C[5,6]N[5,5,6]HH)(H){1|B<4>,1|C<4>,1|N<4>,7|H<1>}	N[5,5,6](B[5,5,6]N[5,5,6]C[5,6]H)2(C[5,6]B[5,5,6]HH)(H){1|B<4>,1|C<4>,1|N<4>,7|H<1>}	99.8525	0.000	1	99.8525	0.000	1	99.8525	0.000	1	99.8525	0.000	1	99.8525	0.000	1	103.2433	22.994	2
474	786	999	5:SP3_SP3_SP3	C[5]	B[5,5]	N[5]	4:4:1:1:	3:4:2:2:	3:4:4:4:	B[5,5]-4:N[5]-4:F-1:F-1:	C[5,6a]-3:C[5]-4:O[5]-2:O[5]-2:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5](B[5,5]C[5,6a]O[5]2)(N[5]C[5,6a]CC)(F)2	B[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]FF)(O[5]C[5])2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5,5]FF)(CH3)2	C[5](B[5,5]C[5,6a]O[5]2)(N[5]C[5,6a]CC)(F)2{2|C<3>,2|C<4>}	B[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]FF)(O[5]C[5])2{1|H<1>,2|C<3>,6|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5,5]FF)(CH3)2{1|H<1>,2|C<3>,2|O<2>}	106.6340	0.000	1	106.6340	0.000	1	106.6340	0.000	1	106.6340	0.000	1	106.6340	0.000	1	103.2433	22.994	2
474	786	999	6:SP3_SP3_SP3	C[5,6]	B[5,5,6]	N[5,5,6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	B[5,5,6]-4:N[5,5,6]-4:H-1:H-1:	N[5,5,6]-4:N[5,5,6]-4:C[5,6]-4:H-1:	B[5,5,6]-4:B[5,5,6]-4:C[5,6]-4:H-1:	C[5,6](B[5,5,6]N[5,5,6]2H)(N[5,5,6]B[5,5,6]2H)(H)2	B[5,5,6](N[5,5,6]B[5,5,6]C[5,6]H)2(C[5,6]N[5,5,6]HH)(H)	N[5,5,6](B[5,5,6]N[5,5,6]C[5,6]H)2(C[5,6]B[5,5,6]HH)(H)	C[5,6](B[5,5,6]N[5,5,6]2H)(N[5,5,6]B[5,5,6]2H)(H)2{1|B<4>,1|N<4>,3|C<4>,4|H<1>}	B[5,5,6](N[5,5,6]B[5,5,6]C[5,6]H)2(C[5,6]N[5,5,6]HH)(H){1|B<4>,1|C<4>,1|N<4>,7|H<1>}	N[5,5,6](B[5,5,6]N[5,5,6]C[5,6]H)2(C[5,6]B[5,5,6]HH)(H){1|B<4>,1|C<4>,1|N<4>,7|H<1>}	99.4445	0.000	1	99.4445	0.000	1	99.4445	0.000	1	99.4445	0.000	1	99.4445	0.000	1	99.4445	0.000	1
474	790	790	0:SP3_SP-NON_SP-NON	C[5,5]	Cl	Cl	4:4:1:1:	4:	4:	C[3x5,6]-4:C[5,5,6]-4:Cl-1:Cl-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2O)(Cl)2	Cl(C[5,5]C[3x5,6]C[5,5,6]Cl)	Cl(C[5,5]C[3x5,6]C[5,5,6]Cl)	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2O)(Cl)2{1|C<3>,2|C<4>,5|H<1>}	Cl(C[5,5]C[3x5,6]C[5,5,6]Cl)	Cl(C[5,5]C[3x5,6]C[5,5,6]Cl)	106.3140	0.000	1	106.3140	0.000	1	106.3140	0.000	1	107.7066	0.490	27	107.7066	0.490	27	107.7783	2.832	55
474	790	790	0:SP3_SP-NON_SP-NON	C[5,5]	Cl	Cl	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:Cl-1:Cl-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]Cl)2(Cl)2	Cl(C[5,5]C[5,5,6]2Cl)	Cl(C[5,5]C[5,5,6]2Cl)	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]Cl)2(Cl)2{2|Cl<1>,2|C<4>,4|H<1>}	Cl(C[5,5]C[5,5,6]2Cl)	Cl(C[5,5]C[5,5,6]2Cl)	105.5440	0.000	1	105.5440	0.000	1	107.7601	0.429	26	107.7066	0.490	27	107.7066	0.490	27	107.7783	2.832	55
474	790	790	0:SP3_SP-NON_SP-NON	C[5,5]	Cl	Cl	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:Cl-1:Cl-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]Cl)2(Cl)2	Cl(C[5,5]C[5,5,6]2Cl)	Cl(C[5,5]C[5,5,6]2Cl)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]Cl)2(Cl)2{2|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	Cl(C[5,5]C[5,5,6]2Cl)	Cl(C[5,5]C[5,5,6]2Cl)	108.1270	0.000	1	108.2674	0.049	5	107.7601	0.429	26	107.7066	0.490	27	107.7066	0.490	27	107.7783	2.832	55
474	790	790	0:SP3_SP-NON_SP-NON	C[5,5]	Cl	Cl	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:Cl-1:Cl-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]Cl)2(Cl)2	Cl(C[5,5]C[5,5,6]2Cl)	Cl(C[5,5]C[5,5,6]2Cl)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]Cl)2(Cl)2{2|Cl<1>,2|C<3>,2|H<1>}	Cl(C[5,5]C[5,5,6]2Cl)	Cl(C[5,5]C[5,5,6]2Cl)	108.3025	0.240	4	108.2674	0.049	5	107.7601	0.429	26	107.7066	0.490	27	107.7066	0.490	27	107.7783	2.832	55
474	790	790	0:SP3_SP-NON_SP-NON	C[5,5]	Cl	Cl	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:Cl-1:Cl-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]Cl)2(Cl)2	Cl(C[5,5]C[5,5,6]2Cl)	Cl(C[5,5]C[5,5,6]2Cl)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]Cl)2(Cl)2{2|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	Cl(C[5,5]C[5,5,6]2Cl)	Cl(C[5,5]C[5,5,6]2Cl)	108.0312	0.175	4	108.0312	0.031	4	107.7601	0.429	26	107.7066	0.490	27	107.7066	0.490	27	107.7783	2.832	55
474	790	790	0:SP3_SP-NON_SP-NON	C[5,5]	Cl	Cl	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:Cl-1:Cl-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]Cl)2(Cl)2	Cl(C[5,5]C[5,5,6]2Cl)	Cl(C[5,5]C[5,5,6]2Cl)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]Cl)2(Cl)2{2|Cl<1>,2|C<3>}	Cl(C[5,5]C[5,5,6]2Cl)	Cl(C[5,5]C[5,5,6]2Cl)	108.2390	0.170	2	108.2390	0.029	2	107.7601	0.429	26	107.7066	0.490	27	107.7066	0.490	27	107.7783	2.832	55
474	790	790	0:SP3_SP-NON_SP-NON	C[5,5]	Cl	Cl	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:Cl-1:Cl-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2Cl)2(Cl)2	Cl(C[5,5]C[5,5,6]2Cl)	Cl(C[5,5]C[5,5,6]2Cl)	C[5,5](C[5,5,6]C[5,6]2Cl)2(Cl)2{2|Cl<1>,1|C<3>,3|H<1>}	Cl(C[5,5]C[5,5,6]2Cl)	Cl(C[5,5]C[5,5,6]2Cl)	106.9730	0.000	1	107.5914	0.235	14	107.7601	0.429	26	107.7066	0.490	27	107.7066	0.490	27	107.7783	2.832	55
474	790	790	0:SP3_SP-NON_SP-NON	C[5,5]	Cl	Cl	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:Cl-1:Cl-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2Cl)2(Cl)2	Cl(C[5,5]C[5,5,6]2Cl)	Cl(C[5,5]C[5,5,6]2Cl)	C[5,5](C[5,5,6]C[5,6]2Cl)2(Cl)2{2|Cl<1>,2|C<3>,2|H<1>}	Cl(C[5,5]C[5,5,6]2Cl)	Cl(C[5,5]C[5,5,6]2Cl)	107.6674	0.559	7	107.5914	0.235	14	107.7601	0.429	26	107.7066	0.490	27	107.7066	0.490	27	107.7783	2.832	55
474	790	790	0:SP3_SP-NON_SP-NON	C[5,5]	Cl	Cl	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:Cl-1:Cl-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2Cl)2(Cl)2	Cl(C[5,5]C[5,5,6]2Cl)	Cl(C[5,5]C[5,5,6]2Cl)	C[5,5](C[5,5,6]C[5,6]2Cl)2(Cl)2{2|Cl<1>,2|C<4>,2|H<1>}	Cl(C[5,5]C[5,5,6]2Cl)	Cl(C[5,5]C[5,5,6]2Cl)	107.6160	0.433	5	107.5914	0.235	14	107.7601	0.429	26	107.7066	0.490	27	107.7066	0.490	27	107.7783	2.832	55
474	790	790	0:SP3_SP-NON_SP-NON	C[5,5]	Cl	Cl	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:Cl-1:Cl-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2Cl)2(Cl)2	Cl(C[5,5]C[5,5,6]2Cl)	Cl(C[5,5]C[5,5,6]2Cl)	C[5,5](C[5,5,6]C[5,6]2Cl)2(Cl)2{2|Cl<1>,2|C<4>}	Cl(C[5,5]C[5,5,6]2Cl)	Cl(C[5,5]C[5,5,6]2Cl)	107.5540	0.000	1	107.5914	0.235	14	107.7601	0.429	26	107.7066	0.490	27	107.7066	0.490	27	107.7783	2.832	55
474	790	790	0:SP3_SP-NON_SP-NON	C[5,6]	Cl	Cl	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:Cl-1:Cl-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(Cl)2	Cl(C[5,6]C[5,5,6]2Cl)	Cl(C[5,6]C[5,5,6]2Cl)	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(Cl)2{1|S<2>,1|S<4>,2|H<1>,4|C<4>}	Cl(C[5,6]C[5,5,6]2Cl)	Cl(C[5,6]C[5,5,6]2Cl)	105.1450	0.000	1	105.1450	0.000	1	105.1450	0.000	1	103.7708	1.034	5	103.7708	1.034	5	107.7783	2.832	55
474	790	790	0:SP3_SP-NON_SP-NON	C[5,6]	Cl	Cl	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:Cl-1:Cl-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(Cl)2	Cl(C[5,6]C[5,5,6]C[5,6]Cl)	Cl(C[5,6]C[5,5,6]C[5,6]Cl)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(Cl)2{1|Cl<1>,2|H<1>,3|C<4>}	Cl(C[5,6]C[5,5,6]C[5,6]Cl)	Cl(C[5,6]C[5,5,6]C[5,6]Cl)	102.4120	0.000	1	102.4120	0.000	1	103.4273	0.592	4	103.7708	1.034	5	103.7708	1.034	5	107.7783	2.832	55
474	790	790	0:SP3_SP-NON_SP-NON	C[5,6]	Cl	Cl	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:Cl-1:Cl-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]ClH)(Cl)2	Cl(C[5,6]C[5,5,6]C[5,6]Cl)	Cl(C[5,6]C[5,5,6]C[5,6]Cl)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]ClH)(Cl)2{2|H<1>,4|C<4>}	Cl(C[5,6]C[5,5,6]C[5,6]Cl)	Cl(C[5,6]C[5,5,6]C[5,6]Cl)	104.2790	0.000	1	104.2790	0.000	1	103.4273	0.592	4	103.7708	1.034	5	103.7708	1.034	5	107.7783	2.832	55
474	790	790	0:SP3_SP-NON_SP-NON	C[5,6]	Cl	Cl	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:Cl-1:Cl-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(Cl)2	Cl(C[5,6]C[5,5,6]C[5,6]Cl)	Cl(C[5,6]C[5,5,6]C[5,6]Cl)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(Cl)2{1|Cl<1>,1|H<1>,4|C<4>}	Cl(C[5,6]C[5,5,6]C[5,6]Cl)	Cl(C[5,6]C[5,5,6]C[5,6]Cl)	103.5090	0.088	2	103.5090	0.008	2	103.4273	0.592	4	103.7708	1.034	5	103.7708	1.034	5	107.7783	2.832	55
474	790	790	0:SP3_SP-NON_SP-NON	C[5]	Cl	Cl	3:2:1:1:	4:	4:	C[5,6a]-3:N[5]-2:Cl-1:Cl-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(Cl)2	Cl(C[5]C[5,6a]N[5]Cl)	Cl(C[5]C[5,6a]N[5]Cl)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(Cl)2{1|Cl<1>,1|H<1>,2|C<3>}	Cl(C[5]C[5,6a]N[5]Cl)	Cl(C[5]C[5,6a]N[5]Cl)	108.4575	0.094	2	108.4575	0.009	2	108.4575	0.009	2	108.4575	0.009	2	108.7338	1.572	23	107.7783	2.832	55
474	790	790	0:SP3_SP-NON_SP-NON	C[5]	Cl	Cl	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:Cl-1:Cl-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(Cl)2	Cl(C[5]C[5,6a]C[5]Cl)	Cl(C[5]C[5,6a]C[5]Cl)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(Cl)2{1|C<4>,1|H<1>,2|C<3>}	Cl(C[5]C[5,6a]C[5]Cl)	Cl(C[5]C[5,6a]C[5]Cl)	111.1030	0.000	1	111.1030	0.000	1	109.7343	0.730	6	109.0215	2.297	11	108.7338	1.572	23	107.7783	2.832	55
474	790	790	0:SP3_SP-NON_SP-NON	C[5]	Cl	Cl	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:Cl-1:Cl-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(Cl)2	Cl(C[5]C[5,6a]C[5]Cl)	Cl(C[5]C[5,6a]C[5]Cl)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(Cl)2{1|C<4>,1|H<1>,2|C<3>}	Cl(C[5]C[5,6a]C[5]Cl)	Cl(C[5]C[5,6a]C[5]Cl)	109.0995	0.080	2	109.4606	0.351	5	109.7343	0.730	6	109.0215	2.297	11	108.7338	1.572	23	107.7783	2.832	55
474	790	790	0:SP3_SP-NON_SP-NON	C[5]	Cl	Cl	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:Cl-1:Cl-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(Cl)2	Cl(C[5]C[5,6a]C[5]Cl)	Cl(C[5]C[5,6a]C[5]Cl)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(Cl)2{1|H<1>,3|C<3>}	Cl(C[5]C[5,6a]C[5]Cl)	Cl(C[5]C[5,6a]C[5]Cl)	108.9010	0.000	1	109.4606	0.351	5	109.7343	0.730	6	109.0215	2.297	11	108.7338	1.572	23	107.7783	2.832	55
474	790	790	0:SP3_SP-NON_SP-NON	C[5]	Cl	Cl	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:Cl-1:Cl-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(Cl)2	Cl(C[5]C[5,6a]C[5]Cl)	Cl(C[5]C[5,6a]C[5]Cl)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(Cl)2{2|C<3>,2|H<1>}	Cl(C[5]C[5,6a]C[5]Cl)	Cl(C[5]C[5,6a]C[5]Cl)	110.1015	0.018	2	109.4606	0.351	5	109.7343	0.730	6	109.0215	2.297	11	108.7338	1.572	23	107.7783	2.832	55
474	790	790	0:SP3_SP-NON_SP-NON	C[5]	Cl	Cl	3:3:1:1:	4:	4:	C[5]-3:C[5]-3:Cl-1:Cl-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]Cl)2(Cl)2	Cl(C[5]C[5]2Cl)	Cl(C[5]C[5]2Cl)	C[5](C[5]C[5]Cl)2(Cl)2{2|Cl<1>}	Cl(C[5]C[5]2Cl)	Cl(C[5]C[5]2Cl)	109.5605	0.424	2	109.5605	0.179	2	109.5605	0.179	2	109.0215	2.297	11	108.7338	1.572	23	107.7783	2.832	55
474	790	790	0:SP3_SP-NON_SP-NON	C[5]	Cl	Cl	3:3:1:1:	4:	4:	N[5]-3:N[5]-3:Cl-1:Cl-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[3x6]C[5])2(Cl)2	Cl(C[5]N[5]2Cl)	Cl(C[5]N[5]2Cl)	C[5](N[5]C[3x6]C[5])2(Cl)2{2|O<1>,6|C<4>}	Cl(C[5]N[5]2Cl)	Cl(C[5]N[5]2Cl)	107.7940	0.000	1	107.7940	0.000	1	107.2363	2.977	3	109.0215	2.297	11	108.7338	1.572	23	107.7783	2.832	55
474	790	790	0:SP3_SP-NON_SP-NON	C[5]	Cl	Cl	3:3:1:1:	4:	4:	N[5]-3:N[5]-3:Cl-1:Cl-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]C)2(Cl)2	Cl(C[5]N[5]2Cl)	Cl(C[5]N[5]2Cl)	C[5](N[5]C[5]C)2(Cl)2{2|O<1>}	Cl(C[5]N[5]2Cl)	Cl(C[5]N[5]2Cl)	106.9575	2.343	2	106.9575	5.488	2	107.2363	2.977	3	109.0215	2.297	11	108.7338	1.572	23	107.7783	2.832	55
474	790	790	0:SP3_SP-NON_SP-NON	C[5]	Cl	Cl	4:3:1:1:	4:	4:	C[5,5,6]-4:C[5]-3:Cl-1:Cl-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]O)(Cl)2	Cl(C[5]C[5,5,6]C[5]Cl)	Cl(C[5]C[5,5,6]C[5]Cl)	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]O)(Cl)2{1|H<1>,1|N<2>,2|C<4>,3|C<3>}	Cl(C[5]C[5,5,6]C[5]Cl)	Cl(C[5]C[5,5,6]C[5]Cl)	108.7730	0.000	1	108.7730	0.000	1	108.7730	0.000	1	108.9469	0.462	7	108.7338	1.572	23	107.7783	2.832	55
474	790	790	0:SP3_SP-NON_SP-NON	C[5]	Cl	Cl	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:Cl-1:Cl-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[6a]N[5])(Cl)2	Cl(C[5]C[5,5]C[5]Cl)	Cl(C[5]C[5,5]C[5]Cl)	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[6a]N[5])(Cl)2{2|C<4>,3|C<3>}	Cl(C[5]C[5,5]C[5]Cl)	Cl(C[5]C[5,5]C[5]Cl)	108.2480	0.092	2	108.2480	0.008	2	108.2480	0.008	2	108.9469	0.462	7	108.7338	1.572	23	107.7783	2.832	55
474	790	790	0:SP3_SP-NON_SP-NON	C[5]	Cl	Cl	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:Cl-1:Cl-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(Cl)2	Cl(C[5]C[5,6]C[5]Cl)	Cl(C[5]C[5,6]C[5]Cl)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(Cl)2{1|H<1>,1|S<2>,1|S<4>,2|C<3>}	Cl(C[5]C[5,6]C[5]Cl)	Cl(C[5]C[5,6]C[5]Cl)	109.8900	0.000	1	109.8900	0.000	1	109.8735	0.001	2	108.9469	0.462	7	108.7338	1.572	23	107.7783	2.832	55
474	790	790	0:SP3_SP-NON_SP-NON	C[5]	Cl	Cl	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:Cl-1:Cl-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5]O)(Cl)2	Cl(C[5]C[5,6]C[5]Cl)	Cl(C[5]C[5,6]C[5]Cl)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5]O)(Cl)2{1|S<4>,3|C<3>}	Cl(C[5]C[5,6]C[5]Cl)	Cl(C[5]C[5,6]C[5]Cl)	109.8570	0.000	1	109.8570	0.000	1	109.8735	0.001	2	108.9469	0.462	7	108.7338	1.572	23	107.7783	2.832	55
474	790	790	0:SP3_SP-NON_SP-NON	C[5]	Cl	Cl	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:Cl-1:Cl-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]N[5,5]O)(Cl)2	Cl(C[5]C[5]2Cl)	Cl(C[5]C[5]2Cl)	C[5](C[5]C[5,5]CH)(C[5]N[5,5]O)(Cl)2{1|H<1>,2|C<4>}	Cl(C[5]C[5]2Cl)	Cl(C[5]C[5]2Cl)	108.8060	0.000	2	108.8060	0.000	2	108.8060	0.000	2	108.9469	0.462	7	108.7338	1.572	23	107.7783	2.832	55
474	790	790	0:SP3_SP-NON_SP-NON	C[5]	Cl	Cl	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:Cl-1:Cl-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]HH)(Cl)2	Cl(C[5]C[5,5]C[5]Cl)	Cl(C[5]C[5,5]C[5]Cl)	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]HH)(Cl)2{2|H<1>,3|C<3>}	Cl(C[5]C[5,5]C[5]Cl)	Cl(C[5]C[5,5]C[5]Cl)	107.6250	0.000	1	107.6250	0.000	1	107.6250	0.000	1	107.3663	0.921	3	108.7338	1.572	23	107.7783	2.832	55
474	790	790	0:SP3_SP-NON_SP-NON	C[5]	Cl	Cl	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:Cl-1:Cl-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(Cl)2	Cl(C[5]C[5]2Cl)	Cl(C[5]C[5]2Cl)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(Cl)2{1|S<4>,2|H<1>}	Cl(C[5]C[5]2Cl)	Cl(C[5]C[5]2Cl)	107.2370	1.319	2	107.2370	1.741	2	107.2370	1.741	2	107.3663	0.921	3	108.7338	1.572	23	107.7783	2.832	55
474	790	818	0:SP3_SP-NON_SP2	C[5,5,6]	Cl	C[5,5,6]	3:4:3:1:	4:	4:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5,6]-3:Cl-1:	C[5,5,6]-4:	C[5,6,6]-4:C[5,5,6]-4:C[5,6,6]-3:	C[5,5,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,5,6]C[5,6,6]2)(Cl)	Cl(C[5,5,6]C[5,6,6a]C[5,5,6]2)	C[5,5,6](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6]C[5,5,6]C[5,6,6])	C[5,5,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,5,6]C[5,6,6]2)(Cl){2|Cl<1>,2|C<4>,5|C<3>}	Cl(C[5,5,6]C[5,6,6a]C[5,5,6]2)	C[5,5,6](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6]C[5,5,6]C[5,6,6]){3|Cl<1>,1|C<4>,6|C<3>}	114.2200	0.000	1	114.2200	0.000	1	114.2200	0.000	1	114.2200	0.000	1	114.2200	0.000	1	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5,5,6]	Cl	C[5,6,6]	3:3:4:1:	4:	4:3:4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,5,6]-4:Cl-1:	C[5,5,6]-4:	C[5,5,6]-4:C[3x6]-3:C[5,6,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[5,5,6]C[5,6,6]2Cl)(Cl)	Cl(C[5,5,6]C[5,6,6a]C[5,5,6]C[5,6,6])	C[5,6,6](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[3x6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6]2Cl)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[5,5,6]C[5,6,6]2Cl)(Cl){3|Cl<1>,3|C<4>,4|C<3>}	Cl(C[5,5,6]C[5,6,6a]C[5,5,6]C[5,6,6])	C[5,6,6](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[3x6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6]2Cl){4|Cl<1>,2|C<4>,6|C<3>}	112.4920	0.000	1	112.4920	0.000	1	112.4920	0.000	1	112.4920	0.000	1	110.7285	3.498	4	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5,5,6]	Cl	C[5,6,6]	4:4:3:1:	4:	3:4:3:	C[5,5,6]-4:C[5,6,6]-4:C[5,6,6]-3:Cl-1:	C[5,5,6]-4:	C[6,6,6a]-3:C[5,5,6]-4:C[5,6,6]-3:	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[6,6,6a]C[5,6,6])(Cl)	Cl(C[5,5,6]C[5,5,6]C[5,6,6]2)	C[5,6,6](C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2)	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[6,6,6a]C[5,6,6])(Cl){2|Cl<1>,3|C<4>,4|C<3>}	Cl(C[5,5,6]C[5,5,6]C[5,6,6]2)	C[5,6,6](C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2){4|Cl<1>,3|C<4>,5|C<3>}	108.9450	0.000	1	108.9450	0.000	1	108.9450	0.000	1	108.9450	0.000	1	110.7285	3.498	4	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5,5,6]	Cl	C[5,6,6]	4:4:3:1:	4:	4:3:3:	C[5,5,6]-4:C[5,6,6]-4:C[5,6,6]-3:Cl-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,6,6]-3:C[3x6]-3:	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]C[3x6])(Cl)	Cl(C[5,5,6]C[5,5,6]C[5,6,6]2)	C[5,6,6](C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6]C[6,6,6a]C[5,6,6])(C[3x6]C[5,6,6]C[3x6])	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]C[3x6])(Cl){2|Cl<1>,3|C<4>,4|C<3>}	Cl(C[5,5,6]C[5,5,6]C[5,6,6]2)	C[5,6,6](C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6]C[6,6,6a]C[5,6,6])(C[3x6]C[5,6,6]C[3x6]){4|Cl<1>,3|C<4>,5|C<3>}	112.1880	0.000	1	112.1880	0.000	1	112.1880	0.000	1	112.1880	0.000	1	110.7285	3.498	4	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5,5,6]	Cl	C[5,6,6]	4:4:3:1:	4:	4:3:4:	C[5,6,6]-4:C[5,5,6]-4:C[5,6,6]-3:Cl-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,5,6]-3:C[5,6,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6]C[5,5,6]C[5,6,6])(Cl)	Cl(C[5,5,6]C[5,5,6]C[5,6,6]2)	C[5,6,6](C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[5,5,6]C[5,5,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2Cl)	C[5,5,6](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6]C[5,5,6]C[5,6,6])(Cl){2|Cl<1>,1|C<4>,6|C<3>}	Cl(C[5,5,6]C[5,5,6]C[5,6,6]2)	C[5,6,6](C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[5,5,6]C[5,5,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2Cl){4|Cl<1>,8|C<3>}	109.2890	0.000	1	109.2890	0.000	1	109.2890	0.000	1	109.2890	0.000	1	110.7285	3.498	4	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5,5,6]	Cl	C[5,6]	3:4:3:1:	4:	4:3:1:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]Cl2)(C[5,6]C[5,6]Cl)(Cl)	Cl(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]Cl2)(C[5,6]C[5,6]Cl)(Cl){2|Cl<1>,1|O<2>,2|C<3>}	Cl(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl){3|Cl<1>,2|C<3>}	115.5690	0.659	4	115.5690	0.434	4	115.5690	0.434	4	115.5690	0.434	4	115.3182	2.097	88	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5,5,6]	Cl	C[5,6]	4:3:3:1:	4:	4:3:1:	C[5,5]-4:C[5,6]-3:C[5,6]-3:Cl-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,5,6](C[5,5]C[5,5,6]Cl2)(C[5,6]C[5,6]Cl)(C[5,6]C[5,6]C)(Cl)	Cl(C[5,5,6]C[5,5]C[5,6]2)	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	C[5,5,6](C[5,5]C[5,5,6]Cl2)(C[5,6]C[5,6]Cl)(C[5,6]C[5,6]C)(Cl){2|Cl<1>,1|C<4>}	Cl(C[5,5,6]C[5,5]C[5,6]2)	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]Cl)(Cl){3|Cl<1>,1|C<3>,1|C<4>}	116.2615	0.425	2	116.2615	0.181	2	116.2615	0.181	2	116.2615	0.181	2	115.3182	2.097	88	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5,5,6]	Cl	C[5,6]	4:3:3:1:	4:	4:3:4:	C[5,5]-4:C[5,6]-3:C[5,6]-3:Cl-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6](C[5,5]C[5,5,6]Cl2)(C[5,6]C[5,6]Cl)(C[5,6]C[5,6]C)(Cl)	Cl(C[5,5,6]C[5,5]C[5,6]2)	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]C)(CClHH)	C[5,5,6](C[5,5]C[5,5,6]Cl2)(C[5,6]C[5,6]Cl)(C[5,6]C[5,6]C)(Cl){2|Cl<1>,1|C<4>}	Cl(C[5,5,6]C[5,5]C[5,6]2)	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]C)(CClHH){4|Cl<1>,1|C<3>}	116.9600	0.358	2	116.9600	0.128	2	116.9600	0.128	2	116.9600	0.128	2	115.3182	2.097	88	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5,5,6]	Cl	C[5,6]	4:3:4:1:	4:	4:4:1:	C[5,5]-4:C[5,6]-3:C[5,6]-4:Cl-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6](C[5,5]C[5,5,6]OO)(C[5,6]C[5,5,6]O)(C[5,6]C[5,6]CH)(Cl)	Cl(C[5,5,6]C[5,5]C[5,6]2)	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,5,6]C[5,5]C[5,6]Cl)(O)	C[5,5,6](C[5,5]C[5,5,6]OO)(C[5,6]C[5,5,6]O)(C[5,6]C[5,6]CH)(Cl){1|Cl<1>,1|C<4>,1|O<2>,2|H<1>}	Cl(C[5,5,6]C[5,5]C[5,6]2)	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,5,6]C[5,5]C[5,6]Cl)(O){1|Cl<1>,1|C<3>,2|O<2>,3|C<4>,3|H<1>}	111.4740	0.000	2	111.4740	0.000	2	111.4945	0.001	4	111.4945	0.001	4	115.3182	2.097	88	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5,5,6]	Cl	C[5,6]	4:3:4:1:	4:	4:4:1:	C[5,5]-4:C[5,6]-3:C[5,6]-4:Cl-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6](C[5,5]C[5,5,6]OO)(C[5,6]C[5,5,6]O)(C[5,6]C[5,6]HO)(Cl)	Cl(C[5,5,6]C[5,5]C[5,6]2)	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,5,6]C[5,5]C[5,6]Cl)(O)	C[5,5,6](C[5,5]C[5,5,6]OO)(C[5,6]C[5,5,6]O)(C[5,6]C[5,6]HO)(Cl){1|Cl<1>,1|C<4>,1|O<2>,2|H<1>}	Cl(C[5,5,6]C[5,5]C[5,6]2)	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,5,6]C[5,5]C[5,6]Cl)(O){1|Cl<1>,3|C<4>,3|H<1>,3|O<2>}	111.5150	0.000	2	111.5150	0.000	2	111.4945	0.001	4	111.4945	0.001	4	115.3182	2.097	88	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5,5,6]	Cl	C[5,6]	4:4:3:1:	4:	4:3:1:	C[3x5]-4:C[5,6]-4:C[5,6]-3:Cl-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,5,6](C[3x5]C[5,5,6]O[5]2)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]Cl)(Cl)	Cl(C[5,5,6]C[3x5]C[5,6]2)	C[5,6](C[5,5,6]C[3x5]C[5,6]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	C[5,5,6](C[3x5]C[5,5,6]O[5]2)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]Cl)(Cl){2|Cl<1>,1|H<1>,3|C<4>}	Cl(C[5,5,6]C[3x5]C[5,6]2)	C[5,6](C[5,5,6]C[3x5]C[5,6]Cl)(C[5,6]C[5,5,6]Cl)(Cl){1|Cl<1>,1|H<1>,2|C<4>,2|O<2>}	115.8235	0.043	2	115.8235	0.002	2	115.8235	0.002	2	115.7138	0.660	70	115.3182	2.097	88	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5,5,6]	Cl	C[5,6]	4:4:3:1:	4:	4:3:1:	C[5,3x6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,6]Cl)(Cl)	Cl(C[5,5,6]C[5,3x6]C[5,5]C[5,6])	C[5,6](C[5,5,6]C[5,3x6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,6]Cl)(Cl){2|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	Cl(C[5,5,6]C[5,3x6]C[5,5]C[5,6])	C[5,6](C[5,5,6]C[5,3x6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl){1|Cl<1>,1|H<1>,2|C<4>,2|O<2>}	114.9522	0.755	4	114.9522	0.569	4	114.9522	0.569	4	115.7138	0.660	70	115.3182	2.097	88	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5,5,6]	Cl	C[5,6]	4:4:3:1:	4:	4:3:1:	C[5,5,6,6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,6]Cl)(Cl)	Cl(C[5,5,6]C[5,5,6,6]C[5,5]C[5,6])	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,6]Cl)(Cl){2|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	Cl(C[5,5,6]C[5,5,6,6]C[5,5]C[5,6])	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl){1|Cl<1>,1|H<1>,2|C<4>,2|O<2>}	114.8865	0.455	2	114.8865	0.207	2	114.8865	0.207	2	115.7138	0.660	70	115.3182	2.097	88	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5,5,6]	Cl	C[5,6]	4:4:3:1:	4:	4:3:1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]Cl2)(C[5,6]C[5,6]Cl)(Cl)	Cl(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]Cl2)(C[5,6]C[5,6]Cl)(Cl){2|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	Cl(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl){3|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	115.7630	0.000	1	116.1914	0.389	10	115.8489	0.741	16	115.7138	0.660	70	115.3182	2.097	88	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5,5,6]	Cl	C[5,6]	4:4:3:1:	4:	4:3:1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]Cl2)(C[5,6]C[5,6]Cl)(Cl)	Cl(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]Cl2)(C[5,6]C[5,6]Cl)(Cl){2|Cl<1>,1|C<3>,1|H<1>,1|N<3>,1|O<1>}	Cl(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl){3|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	116.3149	0.641	8	116.1914	0.389	10	115.8489	0.741	16	115.7138	0.660	70	115.3182	2.097	88	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5,5,6]	Cl	C[5,6]	4:4:3:1:	4:	4:3:1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]Cl2)(C[5,6]C[5,6]Cl)(Cl)	Cl(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]Cl2)(C[5,6]C[5,6]Cl)(Cl){2|Cl<1>,2|C<3>,3|H<1>}	Cl(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl){3|Cl<1>,1|H<1>,2|C<4>}	115.6320	0.000	1	116.1914	0.389	10	115.8489	0.741	16	115.7138	0.660	70	115.3182	2.097	88	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5,5,6]	Cl	C[5,6]	4:4:3:1:	4:	4:3:1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,6]Cl)(Cl)	Cl(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,6]Cl)(Cl){2|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	Cl(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl){1|Cl<1>,1|H<1>,2|C<4>,2|O<2>}	114.5360	0.000	1	115.2780	0.898	6	115.8489	0.741	16	115.7138	0.660	70	115.3182	2.097	88	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5,5,6]	Cl	C[5,6]	4:4:3:1:	4:	4:3:1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,6]Cl)(Cl)	Cl(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,6]Cl)(Cl){2|Cl<1>,1|C<3>,1|H<1>,1|N<3>,1|O<1>}	Cl(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,2|O<2>}	115.3248	1.099	4	115.2780	0.898	6	115.8489	0.741	16	115.7138	0.660	70	115.3182	2.097	88	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5,5,6]	Cl	C[5,6]	4:4:3:1:	4:	4:3:1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,6]Cl)(Cl)	Cl(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,6]Cl)(Cl){2|Cl<1>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	Cl(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,2|O<2>}	115.8330	0.000	1	115.2780	0.898	6	115.8489	0.741	16	115.7138	0.660	70	115.3182	2.097	88	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5,5,6]	Cl	C[5,6]	4:4:3:1:	4:	4:3:1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:Cl-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,5,6](C[5,5]C[5,5,6]Cl2)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]Cl)(Cl)	Cl(C[5,5,6]C[5,5]C[5,6]2)	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	C[5,5,6](C[5,5]C[5,5,6]Cl2)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]Cl)(Cl){2|Cl<1>,1|C<3>,1|H<1>}	Cl(C[5,5,6]C[5,5]C[5,6]2)	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]Cl)(Cl){3|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	116.0809	0.392	14	116.0659	0.344	25	115.9210	0.568	32	115.7138	0.660	70	115.3182	2.097	88	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5,5,6]	Cl	C[5,6]	4:4:3:1:	4:	4:3:1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:Cl-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,5,6](C[5,5]C[5,5,6]Cl2)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]Cl)(Cl)	Cl(C[5,5,6]C[5,5]C[5,6]2)	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	C[5,5,6](C[5,5]C[5,5,6]Cl2)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]Cl)(Cl){2|Cl<1>,1|C<4>,1|H<1>}	Cl(C[5,5,6]C[5,5]C[5,6]2)	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]Cl)(Cl){3|Cl<1>,1|H<1>,2|C<4>}	115.8895	0.627	10	116.0659	0.344	25	115.9210	0.568	32	115.7138	0.660	70	115.3182	2.097	88	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5,5,6]	Cl	C[5,6]	4:4:3:1:	4:	4:3:1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:Cl-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,5,6](C[5,5]C[5,5,6]Cl2)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]Cl)(Cl)	Cl(C[5,5,6]C[5,5]C[5,6]2)	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	C[5,5,6](C[5,5]C[5,5,6]Cl2)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]Cl)(Cl){2|Cl<1>,2|H<1>}	Cl(C[5,5,6]C[5,5]C[5,6]2)	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]Cl)(Cl){3|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	117.6190	0.000	1	116.0659	0.344	25	115.9210	0.568	32	115.7138	0.660	70	115.3182	2.097	88	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5,5,6]	Cl	C[5,6]	4:4:3:1:	4:	4:3:1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:Cl-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,5,6](C[5,5]C[5,5,6]Cl2)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]Cl)(Cl)	Cl(C[5,5,6]C[5,5]C[5,6]2)	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	C[5,5,6](C[5,5]C[5,5,6]Cl2)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]Cl)(Cl){2|Cl<1>,1|C<3>,1|H<1>}	Cl(C[5,5,6]C[5,5]C[5,6]2)	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]Cl)(Cl){3|Cl<1>,1|C<4>,2|H<1>}	117.3370	0.000	1	117.3370	0.000	1	115.9210	0.568	32	115.7138	0.660	70	115.3182	2.097	88	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5,5,6]	Cl	C[5,6]	4:4:3:1:	4:	4:3:1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:Cl-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]Cl)(Cl)	Cl(C[5,5,6]C[5,5]C[5,6]2)	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]Cl)(Cl){2|Cl<1>,1|C<4>,1|H<1>}	Cl(C[5,5,6]C[5,5]C[5,6]2)	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]Cl)(Cl){1|Cl<1>,2|C<4>,3|H<1>}	115.6830	0.081	2	115.6830	0.006	2	115.9210	0.568	32	115.7138	0.660	70	115.3182	2.097	88	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5,5,6]	Cl	C[5,6]	4:4:3:1:	4:	4:3:1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:Cl-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,5,6](C[5,5]C[5,5,6]OO)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]Cl)(Cl)	Cl(C[5,5,6]C[5,5]C[5,6]2)	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	C[5,5,6](C[5,5]C[5,5,6]OO)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]Cl)(Cl){2|Cl<1>,1|C<4>,1|H<1>}	Cl(C[5,5,6]C[5,5]C[5,6]2)	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]Cl)(Cl){1|Cl<1>,1|H<1>,2|C<4>,2|O<2>}	114.7805	0.704	4	114.7805	0.495	4	115.9210	0.568	32	115.7138	0.660	70	115.3182	2.097	88	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5,5,6]	Cl	C[5,6]	4:4:3:1:	4:	4:3:1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,5,6](C[5,6,6]C[5,6,6]2H)(C[5,5]C[5,5,6]Cl2)(C[5,6]C[5,6]Cl)(Cl)	Cl(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,6](C[5,5,6]C[5,6,6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	C[5,5,6](C[5,6,6]C[5,6,6]2H)(C[5,5]C[5,5,6]Cl2)(C[5,6]C[5,6]Cl)(Cl){2|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	Cl(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,6](C[5,5,6]C[5,6,6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl){3|Cl<1>,1|H<1>,2|C<4>}	115.7752	0.148	4	115.7752	0.022	4	115.4061	0.630	14	115.7138	0.660	70	115.3182	2.097	88	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5,5,6]	Cl	C[5,6]	4:4:3:1:	4:	4:3:1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,5]C[5,5,6]Cl2)(C[5,6]C[5,6]Cl)(Cl)	Cl(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,6](C[5,5,6]C[5,6,6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,5]C[5,5,6]Cl2)(C[5,6]C[5,6]Cl)(Cl){2|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	Cl(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,6](C[5,5,6]C[5,6,6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl){3|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	115.8255	0.576	4	115.8255	0.332	4	115.4061	0.630	14	115.7138	0.660	70	115.3182	2.097	88	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5,5,6]	Cl	C[5,6]	4:4:3:1:	4:	4:3:1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,6]Cl)(Cl)	Cl(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,6](C[5,5,6]C[5,6,6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,6]Cl)(Cl){2|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	Cl(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,6](C[5,5,6]C[5,6,6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl){1|Cl<1>,1|H<1>,2|C<4>,2|O<2>}	114.4460	0.807	4	114.8803	0.845	6	115.4061	0.630	14	115.7138	0.660	70	115.3182	2.097	88	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5,5,6]	Cl	C[5,6]	4:4:3:1:	4:	4:3:1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,6]Cl)(Cl)	Cl(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,6](C[5,5,6]C[5,6,6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,6]Cl)(Cl){2|Cl<1>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	Cl(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,6](C[5,5,6]C[5,6,6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,2|O<2>}	115.7490	0.098	2	114.8803	0.845	6	115.4061	0.630	14	115.7138	0.660	70	115.3182	2.097	88	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5,5,6]	Cl	C[5,6]	4:4:3:1:	4:	4:4:1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,5,6]O)(Cl)	Cl(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,5,6]C[5,5,6]C[5]O[5])(O)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,5,6]O)(Cl){1|Cl<1>,1|H<1>,2|C<4>,2|O<2>}	Cl(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,5,6]C[5,5,6]C[5]O[5])(O){1|Cl<1>,3|C<4>,3|H<1>,3|O<2>}	112.6880	0.000	2	112.6880	0.000	2	112.6880	0.000	2	112.2223	0.188	6	115.3182	2.097	88	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5,5,6]	Cl	C[5,6]	4:4:3:1:	4:	4:4:1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,5,6]O)(Cl)	Cl(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,5,6]C[5,6,6]C[5,5]Cl)(O)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,5,6]O)(Cl){1|Cl<1>,1|O<2>,3|C<4>,3|H<1>}	Cl(C[5,5,6]C[5,6,6]C[5,5]C[5,6])	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,5,6]C[5,6,6]C[5,5]Cl)(O){1|Cl<1>,2|O<2>,3|H<1>,4|C<4>}	111.9895	0.311	4	111.9895	0.097	4	111.9895	0.097	4	112.2223	0.188	6	115.3182	2.097	88	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5,5,6]	Cl	C[5]	4:4:3:1:	4:	4:3:1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:Cl-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5]-3:Cl-1:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]Cl)(C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]Cl)(Cl)	Cl(C[5,5,6]C[5,5,6]2C[5])	C[5](C[5,5,6]C[5,5,6]2Cl)(C[5]C[5]Cl)(Cl)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]Cl)(C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]Cl)(Cl){1|Cl<1>,1|C<4>,2|O<1>,3|H<1>}	Cl(C[5,5,6]C[5,5,6]2C[5])	C[5](C[5,5,6]C[5,5,6]2Cl)(C[5]C[5]Cl)(Cl){1|Cl<1>,1|C<3>,1|O<1>,3|C<4>}	107.7030	0.000	1	107.7030	0.000	1	107.7030	0.000	1	107.9855	0.160	2	107.9855	0.160	2	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5,5,6]	Cl	C[5]	4:4:3:1:	4:	4:3:1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:Cl-1:	C[5,5,6]-4:	C[5,5,6]-4:C[5]-3:O-1:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]Cl)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(Cl)	Cl(C[5,5,6]C[5,5,6]2C[5])	C[5](C[5,5,6]C[5,5,6]2Cl)(C[5]C[5]Cl)(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]Cl)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(Cl){2|Cl<1>,1|C<3>,1|C<4>,4|H<1>}	Cl(C[5,5,6]C[5,5,6]2C[5])	C[5](C[5,5,6]C[5,5,6]2Cl)(C[5]C[5]Cl)(O){2|Cl<1>,1|H<1>,3|C<4>}	108.2680	0.000	1	108.2680	0.000	1	108.2680	0.000	1	107.9855	0.160	2	107.9855	0.160	2	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5,5]	Cl	C[5]	3:3:3:1:	4:	4:3:1:	N[3x5]-3:C[5]-3:C[5]-3:Cl-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:Cl-1:	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Cl)2(Cl)	Cl(C[5,5]N[3x5]C[5]2)	C[5](C[5,5]N[3x5]C[5]Cl)(C[5]C[5,5]Cl)(Cl)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Cl)2(Cl){4|Cl<1>,2|C<3>}	Cl(C[5,5]N[3x5]C[5]2)	C[5](C[5,5]N[3x5]C[5]Cl)(C[5]C[5,5]Cl)(Cl){2|Cl<1>,1|C<4>,2|C<3>}	109.5697	0.540	12	109.5697	0.291	12	109.5697	0.291	12	109.5697	0.291	12	109.3879	0.697	13	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5,5]	Cl	C[5]	4:4:3:1:	4:	4:3:2:	C[5,5]-4:C[5]-4:C[5]-3:Cl-1:	C[5,5]-4:	C[5,5]-4:C[5]-3:O-2:	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CO)(C[5]C[5]O)(Cl)	Cl(C[5,5]C[5,5]C[5]2)	C[5](C[5,5]C[5,5]C[5]Cl)(C[5]C[5]Cl)(OC)	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CO)(C[5]C[5]O)(Cl){1|Cl<1>,1|H<1>,3|C<4>}	Cl(C[5,5]C[5,5]C[5]2)	C[5](C[5,5]C[5,5]C[5]Cl)(C[5]C[5]Cl)(OC){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	107.2060	0.000	1	107.2060	0.000	1	107.2060	0.000	1	107.2060	0.000	1	109.3879	0.697	13	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5,6,6]	Cl	C[5,5,6]	3:3:3:1:	4:	4:4:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,5,6]-3:Cl-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5,5,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,5,6]C[5,5,6]C[5,6,6])(Cl)	Cl(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,5,6])	C[5,5,6](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6]C[5,5,6]C[5,6,6])	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,5,6]C[5,5,6]C[5,6,6])(Cl){1|Cl<1>,3|C<4>,5|C<3>}	Cl(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,5,6])	C[5,5,6](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6]C[5,5,6]C[5,6,6]){3|Cl<1>,1|C<4>,6|C<3>}	111.8820	0.000	1	111.8820	0.000	1	111.8820	0.000	1	111.8820	0.000	1	111.8820	0.000	1	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5,6,6]	Cl	C[5,6,6]	3:3:3:1:	4:	3:4:4:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:Cl-1:	C[5,6,6]-4:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6,6]2)3(Cl)	Cl(C[5,6,6]C[5,6,6]3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)2	C[5,6,6](C[5,6,6]C[5,6,6]2)3(Cl){3|Cl<1>,4|C<3>,4|C<4>}	Cl(C[5,6,6]C[5,6,6]3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)2{2|Cl<1>,3|C<4>,5|C<3>}	111.4840	0.000	1	111.4840	0.000	1	111.4840	0.000	1	111.4840	0.000	1	109.9103	7.560	38	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5,6,6]	Cl	C[5,6,6]	3:3:3:1:	4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:Cl-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(Cl)	Cl(C[5,6,6]C[5,6,6a]2C[5,6,6])	C[5,6,6](C[5,6,6]C[5,6,6a]2Cl)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(Cl){3|C<4>,5|C<3>}	Cl(C[5,6,6]C[5,6,6a]2C[5,6,6])	C[5,6,6](C[5,6,6]C[5,6,6a]2Cl)(C[5,6,6]C[5,6,6]2)2{3|Cl<1>,3|C<4>,5|C<3>}	108.9980	0.000	1	108.9980	0.000	1	108.9980	0.000	1	108.9980	0.000	1	109.9103	7.560	38	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5,6,6]	Cl	C[5,6,6]	3:3:3:1:	4:	4:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:Cl-1:	C[5,6,6]-4:	C[5,5,6]-4:C[5,5,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6,6a])2(C[5,6,6]C[5,5,6]2)(Cl)	Cl(C[5,6,6]C[5,6,6a]2C[5,6,6])	C[5,6,6](C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[5,5,6]C[5,5,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2Cl)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6,6a])2(C[5,6,6]C[5,5,6]2)(Cl){1|Cl<1>,4|C<3>,4|C<4>}	Cl(C[5,6,6]C[5,6,6a]2C[5,6,6])	C[5,6,6](C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[5,5,6]C[5,5,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2Cl){4|Cl<1>,8|C<3>}	110.4440	0.000	1	110.4440	0.000	1	110.4440	0.000	1	110.4440	0.000	1	109.9103	7.560	38	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5,6,6]	Cl	C[5,6,6]	3:3:3:1:	4:	4:4:3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:Cl-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6]2)3(Cl)	Cl(C[5,6,6]C[5,6,6]3)	C[5,6,6](C[5,6,6]C[5,6,6]2Cl)2(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6]2)3(Cl){3|Cl<1>,4|C<3>,4|C<4>}	Cl(C[5,6,6]C[5,6,6]3)	C[5,6,6](C[5,6,6]C[5,6,6]2Cl)2(C[5,6,6]C[5,6,6]2){2|Cl<1>,4|C<3>,4|C<4>}	114.8500	0.000	1	114.8500	0.000	1	112.6240	9.910	2	111.5180	3.039	22	109.9103	7.560	38	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5,6,6]	Cl	C[5,6,6]	3:3:3:1:	4:	4:4:3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:Cl-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6]2)3(Cl)	Cl(C[5,6,6]C[5,6,6]3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2Cl)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6]2)3(Cl){3|Cl<1>,4|C<3>,4|C<4>}	Cl(C[5,6,6]C[5,6,6]3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2Cl)(C[5,6,6]C[5,6,6]2){3|Cl<1>,2|C<4>,6|C<3>}	110.3980	0.000	1	110.3980	0.000	1	112.6240	9.910	2	111.5180	3.039	22	109.9103	7.560	38	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5,6,6]	Cl	C[5,6,6]	3:3:3:1:	4:	4:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:Cl-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(Cl)	Cl(C[5,6,6]C[5,6,6a]2C[5,6,6])	C[5,6,6](C[5,6,6]C[5,6,6a]2Cl)(C[5,6,6]C[5,6,6]2Cl)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(Cl){1|Cl<1>,2|C<4>,6|C<3>}	Cl(C[5,6,6]C[5,6,6a]2C[5,6,6])	C[5,6,6](C[5,6,6]C[5,6,6a]2Cl)(C[5,6,6]C[5,6,6]2Cl)(C[5,6,6]C[5,6,6]2){2|Cl<1>,2|C<4>,6|C<3>}	112.0240	0.000	1	111.1790	1.428	2	111.4433	0.749	4	111.5180	3.039	22	109.9103	7.560	38	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5,6,6]	Cl	C[5,6,6]	3:3:3:1:	4:	4:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:Cl-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(Cl)	Cl(C[5,6,6]C[5,6,6a]2C[5,6,6])	C[5,6,6](C[5,6,6]C[5,6,6a]2Cl)(C[5,6,6]C[5,6,6]2Cl)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(Cl){1|Cl<1>,3|C<4>,5|C<3>}	Cl(C[5,6,6]C[5,6,6a]2C[5,6,6])	C[5,6,6](C[5,6,6]C[5,6,6a]2Cl)(C[5,6,6]C[5,6,6]2Cl)(C[5,6,6]C[5,6,6]2){3|Cl<1>,1|C<4>,7|C<3>}	110.3340	0.000	1	111.1790	1.428	2	111.4433	0.749	4	111.5180	3.039	22	109.9103	7.560	38	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5,6,6]	Cl	C[5,6,6]	3:3:3:1:	4:	4:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:Cl-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)(Cl)	Cl(C[5,6,6]C[5,6,6a]2C[5,6,6])	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6a]2Cl)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)(Cl){1|Cl<1>,2|C<4>,6|C<3>}	Cl(C[5,6,6]C[5,6,6a]2C[5,6,6])	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6a]2Cl)(C[5,6,6]C[5,6,6]2){2|Cl<1>,1|C<4>,7|C<3>}	111.7075	0.735	2	111.7075	0.540	2	111.4433	0.749	4	111.5180	3.039	22	109.9103	7.560	38	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5,6,6]	Cl	C[5,6,6]	3:3:3:1:	4:	4:4:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:Cl-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[6,6,6a]C[6,6,6a]2)(C[5,6,6]C[5,6,6]2)(Cl)	Cl(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)2(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[6,6,6a]C[6,6,6a]2)(C[5,6,6]C[5,6,6]2)(Cl){1|Cl<1>,3|C<4>,5|C<3>}	Cl(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)2(C[5,6,6]C[5,6,6]2){2|Cl<1>,8|C<3>}	112.8240	0.725	2	112.8240	0.526	2	111.3374	6.547	8	111.5180	3.039	22	109.9103	7.560	38	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5,6,6]	Cl	C[5,6,6]	3:3:3:1:	4:	4:4:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:Cl-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(Cl)	Cl(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)2(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(Cl){1|Cl<1>,3|C<4>,5|C<3>}	Cl(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)2(C[5,6,6]C[5,6,6]2){2|Cl<1>,8|C<3>}	111.7260	0.208	2	111.7260	0.043	2	111.3374	6.547	8	111.5180	3.039	22	109.9103	7.560	38	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5,6,6]	Cl	C[5,6,6]	3:3:3:1:	4:	4:4:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:Cl-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(Cl)	Cl(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)2(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(Cl){1|Cl<1>,2|C<4>,6|C<3>}	Cl(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)2(C[5,6,6]C[5,6,6]2){2|Cl<1>,8|C<3>}	110.3997	3.513	4	110.3997	12.341	4	111.3374	6.547	8	111.5180	3.039	22	109.9103	7.560	38	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5,6,6]	Cl	C[5,6,6]	3:3:3:1:	4:	4:4:3:	C[6,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:Cl-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[6,6,6a]C[6,6,6a]2)(C[5,6,6]C[5,6,6]2)2(Cl)	Cl(C[5,6,6]C[6,6,6a]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[6,6,6a]C[6,6,6a]2)(C[5,6,6]C[5,6,6]2)2(Cl){2|Cl<1>,4|C<3>,4|C<4>}	Cl(C[5,6,6]C[6,6,6a]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2){3|Cl<1>,8|C<3>}	111.2760	0.662	2	111.2760	0.438	2	111.4595	0.438	8	111.5180	3.039	22	109.9103	7.560	38	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5,6,6]	Cl	C[5,6,6]	3:3:3:1:	4:	4:4:3:	C[6,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:Cl-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[6,6,6a]C[6,6,6a]2)(C[5,6,6]C[5,6,6]2)2(Cl)	Cl(C[5,6,6]C[6,6,6a]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)2(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[6,6,6a]C[6,6,6a]2)(C[5,6,6]C[5,6,6]2)2(Cl){2|Cl<1>,4|C<3>,4|C<4>}	Cl(C[5,6,6]C[6,6,6a]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)2(C[5,6,6]C[5,6,6]2){2|Cl<1>,2|C<4>,6|C<3>}	112.0380	0.899	2	112.0380	0.809	2	111.4595	0.438	8	111.5180	3.039	22	109.9103	7.560	38	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5,6,6]	Cl	C[5,6,6]	3:3:3:1:	4:	4:4:3:	C[6,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:Cl-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)2(Cl)	Cl(C[5,6,6]C[6,6,6a]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6a]2Cl)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)2(Cl){2|Cl<1>,3|C<4>,5|C<3>}	Cl(C[5,6,6]C[6,6,6a]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6a]2Cl)(C[5,6,6]C[5,6,6]2){2|Cl<1>,1|C<4>,7|C<3>}	110.9330	0.355	2	110.9330	0.126	2	111.4595	0.438	8	111.5180	3.039	22	109.9103	7.560	38	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5,6,6]	Cl	C[5,6,6]	3:3:3:1:	4:	4:4:3:	C[6,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:Cl-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)2(Cl)	Cl(C[5,6,6]C[6,6,6a]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)2(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)2(Cl){2|Cl<1>,3|C<4>,5|C<3>}	Cl(C[5,6,6]C[6,6,6a]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)2(C[5,6,6]C[5,6,6]2){2|Cl<1>,2|C<4>,6|C<3>}	111.5910	0.608	2	111.5910	0.370	2	111.4595	0.438	8	111.5180	3.039	22	109.9103	7.560	38	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5,6,6]	Cl	C[5,6,6]	3:3:4:1:	4:	3:4:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:Cl-1:	C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)(Cl)	Cl(C[5,6,6]C[5,6,6a]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)(Cl){3|C<4>,5|C<3>}	Cl(C[5,6,6]C[5,6,6a]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2){3|Cl<1>,1|C<4>,7|C<3>}	103.7790	0.000	1	103.7790	0.000	1	103.7790	0.000	1	103.7790	0.000	1	109.9103	7.560	38	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5,6,6]	Cl	C[5,6,6]	3:4:3:1:	4:	4:3:3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:Cl-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2)(Cl)	Cl(C[5,6,6]C[5,6,6a]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2)(Cl){3|C<4>,5|C<3>}	Cl(C[5,6,6]C[5,6,6a]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2)2{4|Cl<1>,2|C<4>,6|C<3>}	110.0580	0.000	1	110.0580	0.000	1	110.0580	0.000	1	110.0580	0.000	1	109.9103	7.560	38	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5,6,6]	Cl	C[5,6,6]	3:4:3:1:	4:	4:4:3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:Cl-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2)(Cl)	Cl(C[5,6,6]C[5,6,6a]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2Cl)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2)(Cl){1|Cl<1>,2|C<4>,6|C<3>}	Cl(C[5,6,6]C[5,6,6a]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2Cl)(C[5,6,6]C[5,6,6]2){3|Cl<1>,2|C<4>,6|C<3>}	107.9330	0.000	1	107.9330	0.000	1	107.9330	0.000	1	107.9330	0.000	1	109.9103	7.560	38	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5,6,6]	Cl	C[5,6,6]	4:3:3:1:	4:	3:4:4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:Cl-1:	C[5,6,6]-4:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6,6a]2Cl)(C[5,6,6]C[5,6,6]2)2(Cl)	Cl(C[5,6,6]C[5,6,6]3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)2	C[5,6,6](C[5,6,6]C[5,6,6a]2Cl)(C[5,6,6]C[5,6,6]2)2(Cl){2|Cl<1>,2|C<4>,6|C<3>}	Cl(C[5,6,6]C[5,6,6]3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)2{2|Cl<1>,3|C<4>,5|C<3>}	107.3660	0.000	1	107.3660	0.000	1	107.3660	0.000	1	107.3660	0.000	1	109.9103	7.560	38	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5,6,6]	Cl	C[5,6,6]	4:3:3:1:	4:	4:4:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:Cl-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]2Cl)(C[5,6,6]C[5,6,6]2)2(Cl)	Cl(C[5,6,6]C[5,6,6]3)	C[5,6,6](C[5,6,6]C[5,6,6a]2Cl)(C[5,6,6]C[5,6,6]2Cl)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]2Cl)(C[5,6,6]C[5,6,6]2)2(Cl){2|Cl<1>,2|C<4>,6|C<3>}	Cl(C[5,6,6]C[5,6,6]3)	C[5,6,6](C[5,6,6]C[5,6,6a]2Cl)(C[5,6,6]C[5,6,6]2Cl)(C[5,6,6]C[5,6,6]2){3|Cl<1>,1|C<4>,7|C<3>}	102.4280	0.000	1	102.4280	0.000	1	105.0260	5.065	3	106.7710	5.814	6	109.9103	7.560	38	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5,6,6]	Cl	C[5,6,6]	4:3:3:1:	4:	4:4:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:Cl-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2)2(Cl)	Cl(C[5,6,6]C[5,6,6]3)	C[5,6,6](C[5,6,6]C[5,6,6]2Cl)2(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2)2(Cl){2|Cl<1>,2|C<4>,6|C<3>}	Cl(C[5,6,6]C[5,6,6]3)	C[5,6,6](C[5,6,6]C[5,6,6]2Cl)2(C[5,6,6]C[5,6,6]2){2|Cl<1>,4|C<3>,4|C<4>}	106.3810	0.000	1	106.3810	0.000	1	105.0260	5.065	3	106.7710	5.814	6	109.9103	7.560	38	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5,6,6]	Cl	C[5,6,6]	4:3:3:1:	4:	4:4:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:Cl-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2)2(Cl)	Cl(C[5,6,6]C[5,6,6]3)	C[5,6,6](C[5,6,6]C[5,6,6a]2Cl)(C[5,6,6]C[5,6,6]2Cl)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2)2(Cl){2|Cl<1>,2|C<4>,6|C<3>}	Cl(C[5,6,6]C[5,6,6]3)	C[5,6,6](C[5,6,6]C[5,6,6a]2Cl)(C[5,6,6]C[5,6,6]2Cl)(C[5,6,6]C[5,6,6]2){2|Cl<1>,2|C<4>,6|C<3>}	106.2690	0.000	1	106.2690	0.000	1	105.0260	5.065	3	106.7710	5.814	6	109.9103	7.560	38	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5,6,6]	Cl	C[5,6,6]	4:3:3:1:	4:	4:4:3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:Cl-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)(Cl)	Cl(C[5,6,6]C[5,6,6a]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)(Cl){1|Cl<1>,2|C<4>,6|C<3>}	Cl(C[5,6,6]C[5,6,6a]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2){3|Cl<1>,8|C<3>}	108.1825	0.023	2	108.1825	0.001	2	108.5160	0.334	3	106.7710	5.814	6	109.9103	7.560	38	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5,6,6]	Cl	C[5,6,6]	4:3:3:1:	4:	4:4:3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:Cl-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(Cl)	Cl(C[5,6,6]C[5,6,6a]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6]C[6,6,6a]C[5,5,6])	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(Cl){2|Cl<1>,4|C<3>,4|C<4>}	Cl(C[5,6,6]C[5,6,6a]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6]C[6,6,6a]C[5,5,6]){4|Cl<1>,3|C<4>,5|C<3>}	109.1830	0.000	1	109.1830	0.000	1	108.5160	0.334	3	106.7710	5.814	6	109.9103	7.560	38	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5,6,6]	Cl	C[5,6,6]	4:4:3:1:	4:	4:3:3:	C[5,5,6]-4:C[5,6,6]-4:C[5,6,6]-3:Cl-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-3:C[6,6,6a]-3:	C[5,6,6](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[6,6,6a]C[5,6,6])(Cl)	Cl(C[5,6,6]C[5,5,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6]C[5,5,6]C[3x6])(C[6,6,6a]C[6,6,6a]2)	C[5,6,6](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[6,6,6a]C[5,6,6])(Cl){2|Cl<1>,2|C<4>,6|C<3>}	Cl(C[5,6,6]C[5,5,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6]C[5,5,6]C[3x6])(C[6,6,6a]C[6,6,6a]2){3|Cl<1>,3|C<4>,5|C<3>}	106.9040	0.000	1	106.9040	0.000	1	106.9040	0.000	1	106.9040	0.000	1	109.9103	7.560	38	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5,6,6]	Cl	C[5,6,6]	4:4:3:1:	4:	4:3:4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:Cl-1:	C[5,6,6]-4:	C[5,5,6]-4:C[3x6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6]C[6,6,6a]C[5,5,6]Cl)(C[5,6,6]C[5,5,6]C[3x6])(Cl)	Cl(C[5,6,6]C[5,6,6]3)	C[5,6,6](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[3x6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6]2Cl)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6]C[6,6,6a]C[5,5,6]Cl)(C[5,6,6]C[5,5,6]C[3x6])(Cl){3|Cl<1>,3|C<4>,5|C<3>}	Cl(C[5,6,6]C[5,6,6]3)	C[5,6,6](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[3x6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6]2Cl){4|Cl<1>,2|C<4>,6|C<3>}	106.9870	0.000	1	106.9870	0.000	1	106.9870	0.000	1	106.9870	0.000	1	109.9103	7.560	38	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5,6,6]	Cl	C[5,6,6]	4:4:3:1:	4:	4:4:3:	C[5,5,6]-4:C[5,6,6]-4:C[5,6,6]-3:Cl-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2)(Cl)	Cl(C[5,6,6]C[5,5,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6]C[6,6,6a]C[5,5,6])	C[5,6,6](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2)(Cl){3|Cl<1>,3|C<4>,5|C<3>}	Cl(C[5,6,6]C[5,5,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6]C[6,6,6a]C[5,5,6]){4|Cl<1>,3|C<4>,5|C<3>}	108.6180	0.000	1	108.6180	0.000	1	108.6180	0.000	1	108.6180	0.000	1	109.9103	7.560	38	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5,6]	Cl	C[5,6]	3:4:3:1:	4:	4:4:1:	C[5,6]-3:C[5]-4:C[6]-3:Cl-1:	C[5,6]-4:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,5,6]O)(C[5]C[5,5]CC)(C[6]C[6,6a]O)(Cl)	Cl(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5,6]C[5]C[6]Cl)(O)	C[5,6](C[5,6]C[5,5,6]O)(C[5]C[5,5]CC)(C[6]C[6,6a]O)(Cl){1|H<1>,2|C<3>,2|C<4>}	Cl(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5,6]C[5]C[6]Cl)(O){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	114.0010	0.000	1	114.0010	0.000	1	114.0010	0.000	1	114.0010	0.000	1	114.0010	0.000	1	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5,6]	Cl	C[5]	4:4:3:1:	4:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:Cl-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(Cl)	Cl(C[5,6]C[5,6]C[5]C[6])	C[5](C[5,6]C[5,6]C[6]Cl)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(Cl){1|C<3>,1|C<4>,6|H<1>}	Cl(C[5,6]C[5,6]C[5]C[6])	C[5](C[5,6]C[5,6]C[6]Cl)(C[5]C[5]HH)(O){1|C<3>,1|C<4>,5|H<1>}	111.8360	0.505	2	111.8360	0.255	2	111.8360	0.255	2	111.8360	0.255	2	111.8360	0.255	2	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5]	Cl	C[5,5]	3:2:4:1:	4:	4:4:3:	C[5,5]-3:N[5]-2:C-4:Cl-1:	C[5]-4:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5,6]C[5])(N[5]C[5,6])(CC3)(Cl)	Cl(C[5]C[5,5]N[5]C)	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5]N[5]ClC)(C[5]C[5]Cl)	C[5](C[5,5]C[5,5,6]C[5])(N[5]C[5,6])(CC3)(Cl){1|Cl<1>,1|C<3>,1|N<2>,2|C<4>}	Cl(C[5]C[5,5]N[5]C)	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5]N[5]ClC)(C[5]C[5]Cl){2|H<1>,3|C<4>}	107.9920	0.000	1	107.9920	0.000	1	107.9920	0.000	1	107.9920	0.000	1	107.9920	0.000	1	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:1:	4:	3:4:1:	C[5,6a]-3:C[5]-3:Cl-1:Cl-1:	C[5]-4:	N[5]-3:C[5]-4:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(Cl)2	Cl(C[5]C[5,6a]C[5]Cl)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]Cl2)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(Cl)2{1|H<1>,3|C<3>}	Cl(C[5]C[5,6a]C[5]Cl)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]Cl2)(O){2|C<3>,2|N<2>}	109.4875	2.453	2	109.4875	6.017	2	109.4875	6.017	2	109.4875	6.017	2	109.2934	8.516	61	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:1:	4:	4:3:1:	C[5,6a]-3:C[5]-3:Cl-1:Cl-1:	C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(Cl)2	Cl(C[5]C[5,6a]C[5]Cl)	C[5](C[5]C[5,6a]Cl2)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(Cl)2{1|C<4>,1|H<1>,2|C<3>}	Cl(C[5]C[5,6a]C[5]Cl)	C[5](C[5]C[5,6a]Cl2)(N[5]C[5,6a]C)(O){2|C<3>}	108.6210	1.201	4	108.6210	1.442	4	108.6210	1.442	4	110.6040	2.452	14	109.2934	8.516	61	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:1:	4:	4:3:1:	C[5]-3:C[5]-3:Cl-1:Cl-1:	C[5]-4:	C[5]-4:C[5]-3:Cl-1:	C[5](C[5]C[5]Cl)2(Cl)2	Cl(C[5]C[5]2Cl)	C[5](C[5]C[5]Cl2)(C[5]C[5]Cl)(Cl)	C[5](C[5]C[5]Cl)2(Cl)2{2|Cl<1>}	Cl(C[5]C[5]2Cl)	C[5](C[5]C[5]Cl2)(C[5]C[5]Cl)(Cl){2|Cl<1>}	111.0756	0.441	8	111.0756	0.194	8	111.0756	0.194	8	110.6040	2.452	14	109.2934	8.516	61	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:1:	4:	4:3:1:	C[5]-3:S[5]-3:Cl-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(S[5]C[5]O)(Cl)(H)	Cl(C[5]C[5]S[5]H)	C[5](C[5]S[5]ClH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(S[5]C[5]O)(Cl)(H){1|Cl<1>,2|H<1>}	Cl(C[5]C[5]S[5]H)	C[5](C[5]S[5]ClH)(C[5]C[5]H)(H){1|Cl<1>,1|H<1>,1|O<1>}	112.6835	0.179	2	112.6835	0.032	2	112.6835	0.032	2	110.6040	2.452	14	109.2934	8.516	61	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:1:	4:	4:3:2:	C[5,6a]-3:C[5]-3:Cl-1:Cl-1:	C[5]-4:	C[5]-4:N[5]-3:N-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(Cl)2	Cl(C[5]C[5,6a]C[5]Cl)	C[5](C[5]C[5,6a]Cl2)(N[5]C[5,6a]C)(NS)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(Cl)2{1|C<4>,1|H<1>,2|C<3>}	Cl(C[5]C[5,6a]C[5]Cl)	C[5](C[5]C[5,6a]Cl2)(N[5]C[5,6a]C)(NS){2|C<3>}	109.7195	2.982	2	109.7195	8.892	2	109.7195	8.892	2	108.7765	4.475	6	109.2934	8.516	61	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:1:	4:	4:3:2:	C[5,6a]-3:C[5]-3:Cl-1:Cl-1:	C[5]-4:	C[5]-4:N[5]-3:O-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(Cl)2	Cl(C[5]C[5,6a]C[5]Cl)	C[5](C[5]C[5,6a]Cl2)(N[5]C[5,6a]H)(OMo)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(Cl)2{2|C<3>,2|H<1>}	Cl(C[5]C[5,6a]C[5]Cl)	C[5](C[5]C[5,6a]Cl2)(N[5]C[5,6a]H)(OMo){2|C<3>}	108.3050	1.899	4	108.3050	3.606	4	108.3050	3.606	4	108.7765	4.475	6	109.2934	8.516	61	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5]	Cl	C[5]	3:3:4:1:	4:	3:4:1:	C[5]-3:C[5]-3:C-4:Cl-1:	C[5]-4:	N[5]-3:C[5]-4:O-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH)(Cl)	Cl(C[5]C[5]2C)	C[5](N[5]C[6a]N[5])(C[5]C[5]ClC)(O)	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH)(Cl){3|C<3>}	Cl(C[5]C[5]2C)	C[5](N[5]C[6a]N[5])(C[5]C[5]ClC)(O){3|C<3>}	107.5260	0.000	1	107.5260	0.000	1	107.5260	0.000	1	107.5260	0.000	1	109.2934	8.516	61	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5]	Cl	C[5]	3:3:4:1:	4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:Cl-1:	C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(Cl)	Cl(C[5]C[5,6a]C[5]C)	C[5](C[5]C[5,6a]ClC)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(Cl){1|Cl<1>,1|H<1>,2|C<3>}	Cl(C[5]C[5,6a]C[5]C)	C[5](C[5]C[5,6a]ClC)(N[5]C[5,6a]H)(O){2|C<3>}	106.2477	0.317	3	106.0588	0.363	5	105.8130	0.653	6	105.8130	0.653	6	109.2934	8.516	61	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5]	Cl	C[5]	3:3:4:1:	4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:Cl-1:	C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(Cl)	Cl(C[5]C[5,6a]C[5]C)	C[5](C[5]C[5,6a]ClC)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(Cl){2|C<3>,2|H<1>}	Cl(C[5]C[5,6a]C[5]C)	C[5](C[5]C[5,6a]ClC)(N[5]C[5,6a]H)(O){2|C<3>}	105.7755	0.991	2	106.0588	0.363	5	105.8130	0.653	6	105.8130	0.653	6	109.2934	8.516	61	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5]	Cl	C[5]	3:3:4:1:	4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:Cl-1:	C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HN)(Cl)	Cl(C[5]C[5,6a]C[5]C)	C[5](C[5]C[5,6a]ClC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HN)(Cl){1|C<4>,1|H<1>,2|C<3>}	Cl(C[5]C[5,6a]C[5]C)	C[5](C[5]C[5,6a]ClC)(N[5]C[5,6a]C)(O){2|C<3>}	104.5840	0.000	1	104.5840	0.000	1	105.8130	0.653	6	105.8130	0.653	6	109.2934	8.516	61	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5]	Cl	C[5]	3:3:4:1:	4:	4:3:2:	C[5]-3:C[5]-3:C-4:Cl-1:	C[5]-4:	C[5]-4:C[6a]-3:N[5]-2:	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH)(Cl)	Cl(C[5]C[5]2C)	C[5](C[5]C[5]ClC)(C[6a]C[6a]2)(N[5]N[5])	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH)(Cl){3|C<3>}	Cl(C[5]C[5]2C)	C[5](C[5]C[5]ClC)(C[6a]C[6a]2)(N[5]N[5]){1|O<1>,2|H<1>,3|C<3>}	109.8580	0.000	1	109.8580	0.000	1	109.8580	0.000	1	109.8580	0.000	1	109.2934	8.516	61	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5]	Cl	C[5]	3:3:4:1:	4:	4:3:3:	C[5]-3:C[5]-3:C[6]-4:Cl-1:	C[5]-4:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H)(Cl)	Cl(C[5]C[5]2C[6])	C[5](C[5]C[5]C[6]Cl)(C[5]C[5]C[6])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H)(Cl){2|C<3>,5|H<1>,6|C<4>}	Cl(C[5]C[5]2C[6])	C[5](C[5]C[5]C[6]Cl)(C[5]C[5]C[6])(C[6a]C[6a]2){2|C<3>,4|H<1>,6|C<4>}	104.8520	0.000	1	104.8520	0.000	1	104.8520	0.000	1	104.8520	0.000	1	109.2934	8.516	61	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5]	Cl	C[5]	3:3:4:1:	4:	4:3:4:	C[5]-3:C[5]-3:C[6]-4:Cl-1:	C[5]-4:	C[5]-4:C[5]-3:C[6]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H)(Cl)	Cl(C[5]C[5]2C[6])	C[5](C[5]C[5]C[6]Cl)(C[5]C[5]C[6])(C[6]C[6]2H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H)(Cl){2|C<3>,5|H<1>,6|C<4>}	Cl(C[5]C[5]2C[6])	C[5](C[5]C[5]C[6]Cl)(C[5]C[5]C[6])(C[6]C[6]2H){1|C<3>,6|H<1>,7|C<4>}	109.0240	0.000	1	109.0240	0.000	1	109.0240	0.000	1	109.0240	0.000	1	109.2934	8.516	61	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5]	Cl	C[5]	3:3:4:1:	4:	4:4:2:	C[5,6a]-3:C[5]-3:C-4:Cl-1:	C[5]-4:	C[5]-4:C[5]-4:N[5]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CCHH)(Cl)	Cl(C[5]C[5,6a]C[5]C)	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5,6a]ClC)(N[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CCHH)(Cl){2|C<4>,4|C<3>}	Cl(C[5]C[5,6a]C[5]C)	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5,6a]ClC)(N[5]C[5,6a]){1|N<3>,1|O<1>,4|C<3>}	105.0330	0.000	1	105.0330	0.000	1	105.0330	0.000	1	105.0330	0.000	1	109.2934	8.516	61	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5]	Cl	C[5]	4:3:1:1:	4:	3:4:1:	C[5,5,6]-4:C[5]-3:Cl-1:Cl-1:	C[5]-4:	N[5,6]-3:C[5]-4:O-1:	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]O)(Cl)2	Cl(C[5]C[5,5,6]C[5]Cl)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]Cl2)(O)	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]O)(Cl)2{1|H<1>,1|N<2>,2|C<4>,3|C<3>}	Cl(C[5]C[5,5,6]C[5]Cl)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]Cl2)(O){2|C<3>,2|C<4>,3|H<1>}	109.4960	3.014	2	109.4960	9.082	2	109.4960	9.082	2	109.7519	8.496	7	109.2934	8.516	61	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5]	Cl	C[5]	4:3:1:1:	4:	3:4:1:	C[5]-4:C[5]-3:Cl-1:Cl-1:	C[5]-4:	N[5,5]-3:C[5]-4:O-1:	C[5](C[5]C[5,5]CH)(C[5]N[5,5]O)(Cl)2	Cl(C[5]C[5]2Cl)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]Cl2)(O)	C[5](C[5]C[5,5]CH)(C[5]N[5,5]O)(Cl)2{1|H<1>,2|C<4>}	Cl(C[5]C[5]2Cl)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]Cl2)(O){3|C<4>,4|H<1>}	109.2730	3.413	4	109.2730	11.651	4	109.2730	11.651	4	109.7519	8.496	7	109.2934	8.516	61	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5]	Cl	C[5]	4:3:1:1:	4:	3:4:1:	C[5]-4:C[5]-3:Cl-1:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]BrH)(C[5]C[5,6a]O)(Cl)(H)	Cl(C[5]C[5]2H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]ClH)(O)	C[5](C[5]C[5,6a]BrH)(C[5]C[5,6a]O)(Cl)(H){2|C<3>}	Cl(C[5]C[5]2H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]ClH)(O){1|Br<1>,2|C<3>,2|H<1>}	112.1790	0.000	1	112.1790	0.000	1	112.1790	0.000	1	109.7519	8.496	7	109.2934	8.516	61	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5]	Cl	C[5]	4:3:1:1:	4:	4:2:1:	C[5]-4:C[5]-3:Cl-1:H-1:	C[5]-4:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]HO)(C[5]O[5]O)(Cl)(H)	Cl(C[5]C[5]2H)	C[5](C[5]C[5]ClH)(O[5]C[5])(O)	C[5](C[5]C[5]HO)(C[5]O[5]O)(Cl)(H){1|C<4>,1|H<1>}	Cl(C[5]C[5]2H)	C[5](C[5]C[5]ClH)(O[5]C[5])(O){1|C<4>,1|O<2>,2|H<1>}	112.6185	1.549	2	112.6185	2.400	2	112.6185	2.400	2	112.6185	2.400	2	109.2934	8.516	61	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5]	Cl	C[5]	4:3:1:1:	4:	4:3:1:	C[5,6,6]-4:C[5]-3:Cl-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]H)(Cl)(H)	Cl(C[5]C[5,6,6]C[5]H)	C[5](C[5]C[5,6,6]ClH)(C[5]C[5,6,6]H)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]H)(Cl)(H){1|C<3>,2|H<1>,3|C<4>}	Cl(C[5]C[5,6,6]C[5]H)	C[5](C[5]C[5,6,6]ClH)(C[5]C[5,6,6]H)(H){2|C<4>,2|H<1>}	111.2280	0.025	2	111.2280	0.001	2	111.2280	0.001	2	109.4550	7.928	6	109.2934	8.516	61	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5]	Cl	C[5]	4:3:1:1:	4:	4:3:1:	C[5,6]-4:C[5]-3:Cl-1:Cl-1:	C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(Cl)2	Cl(C[5]C[5,6]C[5]Cl)	C[5](C[5]C[5,6]Cl2)(N[5]C[5,6]S)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(Cl)2{1|H<1>,1|S<2>,1|S<4>,2|C<3>}	Cl(C[5]C[5,6]C[5]Cl)	C[5](C[5]C[5,6]Cl2)(N[5]C[5,6]S)(O){1|H<1>,1|S<2>,2|C<3>}	109.1175	4.819	2	109.1175	23.222	2	108.5685	10.070	4	109.4550	7.928	6	109.2934	8.516	61	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5]	Cl	C[5]	4:3:1:1:	4:	4:3:1:	C[5,6]-4:C[5]-3:Cl-1:Cl-1:	C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5]O)(Cl)2	Cl(C[5]C[5,6]C[5]Cl)	C[5](C[5]C[5,6]Cl2)(N[5]C[5,6]S)(O)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5]O)(Cl)2{1|S<4>,3|C<3>}	Cl(C[5]C[5,6]C[5]Cl)	C[5](C[5]C[5,6]Cl2)(N[5]C[5,6]S)(O){1|H<1>,2|C<3>}	108.0195	2.405	2	108.0195	5.783	2	108.5685	10.070	4	109.4550	7.928	6	109.2934	8.516	61	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5]	Cl	C[5]	4:3:1:1:	4:	4:3:2:	C[5,5]-4:C[5]-3:Cl-1:Cl-1:	C[5]-4:	C[5]-4:C[6a]-3:N[5]-2:	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[6a]N[5])(Cl)2	Cl(C[5]C[5,5]C[5]Cl)	C[5](C[5]C[5,5]Cl2)(C[6a]C[6a]2)(N[5]C[5,5])	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[6a]N[5])(Cl)2{2|C<4>,3|C<3>}	Cl(C[5]C[5,5]C[5]Cl)	C[5](C[5]C[5,5]Cl2)(C[6a]C[6a]2)(N[5]C[5,5]){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	111.0400	4.241	4	111.0400	17.988	4	111.0400	17.988	4	111.0400	17.988	4	109.2934	8.516	61	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5]	Cl	C[5]	4:3:1:1:	4:	4:3:4:	C[5,6,6]-4:C[5]-3:Cl-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]C)(Cl)(H)	Cl(C[5]C[5,6,6]C[5]H)	C[5](C[5]C[5,6,6]ClH)(C[5]C[5,6,6]H)(CH3)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]C)(Cl)(H){1|C<3>,2|H<1>,3|C<4>}	Cl(C[5]C[5,6,6]C[5]H)	C[5](C[5]C[5,6,6]ClH)(C[5]C[5,6,6]H)(CH3){2|C<4>,2|H<1>}	110.5460	0.000	1	110.5460	0.000	1	110.5460	0.000	1	110.5460	0.000	1	109.2934	8.516	61	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5]	Cl	C[5]	4:3:1:1:	4:	4:4:1:	C[5,6]-4:C[5]-3:Cl-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:O-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(Cl)(H)	Cl(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]ClH)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(Cl)(H){1|C<4>,2|C<3>,4|H<1>}	Cl(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]ClH)(O){2|C<3>,2|C<4>,2|H<1>}	112.2220	0.000	1	112.2585	0.003	2	112.2585	0.003	2	111.9530	0.281	3	109.2934	8.516	61	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5]	Cl	C[5]	4:3:1:1:	4:	4:4:1:	C[5,6]-4:C[5]-3:Cl-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:O-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(Cl)(H)	Cl(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]ClH)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(Cl)(H){3|C<3>,4|H<1>}	Cl(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]ClH)(O){1|C<4>,2|H<1>,3|C<3>}	112.2950	0.000	1	112.2585	0.003	2	112.2585	0.003	2	111.9530	0.281	3	109.2934	8.516	61	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5]	Cl	C[5]	4:3:1:1:	4:	4:4:1:	C[5]-4:C[5]-3:Cl-1:H-1:	C[5]-4:	C[5,6]-4:C[5]-4:O-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(Cl)(H)	Cl(C[5]C[5]2H)	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5]ClH)(O)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(Cl)(H){1|C<3>,1|H<1>,2|C<4>}	Cl(C[5]C[5]2H)	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5]ClH)(O){1|C<4>,2|C<3>,3|H<1>}	111.3420	0.000	1	111.3420	0.000	1	111.3420	0.000	1	111.9530	0.281	3	109.2934	8.516	61	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5]	Cl	C[5]	4:3:2:1:	4:	4:4:1:	C[5]-4:C[5]-3:S-2:Cl-1:	C[5]-4:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]O)(SC[6a])(Cl)	Cl(C[5]C[5]2S)	C[5](C[5]C[5]ClS)(C[5]O[5]CC)(O)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]O)(SC[6a])(Cl){2|C<3>,2|C<4>}	Cl(C[5]C[5]2S)	C[5](C[5]C[5]ClS)(C[5]O[5]CC)(O){1|C<3>,1|H<1>}	112.0730	0.000	1	112.0730	0.000	1	112.0730	0.000	1	112.0730	0.000	1	109.2934	8.516	61	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5]	Cl	C[5]	4:3:3:1:	4:	3:4:1:	C[5]-4:C[5]-3:C-3:Cl-1:	C[5]-4:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(COO)(Cl)	Cl(C[5]C[5]2C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]ClC)(O)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(COO)(Cl){4|C<3>}	Cl(C[5]C[5]2C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]ClC)(O){2|H<1>,3|C<3>}	110.5520	0.000	1	110.5520	0.000	1	110.5520	0.000	1	110.5520	0.000	1	109.2934	8.516	61	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5]	Cl	C[5]	4:3:4:1:	4:	3:4:1:	C[5]-4:C[5]-3:C-4:Cl-1:	C[5]-4:	N[5]-3:C[5]-4:O-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHH)(Cl)	Cl(C[5]C[5]2C)	C[5](N[5]C[6a]C[5])(C[5]C[5]ClC)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHH)(Cl){1|C<3>,2|H<1>}	Cl(C[5]C[5]2C)	C[5](N[5]C[6a]C[5])(C[5]C[5]ClC)(O){2|C<3>,4|H<1>}	103.7960	0.000	1	103.7960	0.000	1	103.7960	0.000	1	103.7960	0.000	1	109.2934	8.516	61	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5]	Cl	C[5]	4:3:4:1:	4:	4:3:1:	C[5]-4:C[5]-3:C-4:Cl-1:	C[5]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CHHN)(Cl)	Cl(C[5]C[5]2C)	C[5](C[5]C[5]ClC)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CHHN)(Cl){1|C<4>,2|H<1>}	Cl(C[5]C[5]2C)	C[5](C[5]C[5]ClC)(N[5]C[5]C)(O){4|H<1>}	106.4600	0.000	1	106.4600	0.000	1	106.4600	0.000	1	106.4600	0.000	1	109.2934	8.516	61	112.0009	12.922	212
474	790	818	0:SP3_SP-NON_SP2	C[5]	Cl	C[5]	4:3:4:1:	4:	4:4:1:	C[5]-4:C[5]-3:C-4:Cl-1:	C[5]-4:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)(Cl)	Cl(C[5]C[5]2C)	C[5](C[5]C[5]ClC)(C[5]C[5]CC)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)(Cl){1|C<3>,1|C<4>,2|H<1>}	Cl(C[5]C[5]2C)	C[5](C[5]C[5]ClC)(C[5]C[5]CC)(O){4|H<1>}	101.9580	0.000	1	101.9580	0.000	1	101.9580	0.000	1	101.9580	0.000	1	109.2934	8.516	61	112.0009	12.922	212
474	790	891	0:SP3_SP-NON_SP2	C[5,6]	Cl	S[5]	4:2:2:1:	4:	4:3:	C[5,6]-4:S[5]-2:S[6]-2:Cl-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]S[5]S[6]Cl)(S[5]C[5])(S[6]C[6])(Cl)	Cl(C[5,6]C[5,6]S[5]S[6])	S[5](C[5,6]C[5,6]S[6]Cl)(C[5]S[5]O)	C[5,6](C[5,6]S[5]S[6]Cl)(S[5]C[5])(S[6]C[6])(Cl){1|Cl<1>,1|C<4>,1|O<1>}	Cl(C[5,6]C[5,6]S[5]S[6])	S[5](C[5,6]C[5,6]S[6]Cl)(C[5]S[5]O){1|Cl<1>,1|C<3>,1|S<2>}	108.5030	0.000	1	108.7885	0.163	2	108.7885	0.163	2	108.7885	0.163	2	108.7885	0.163	2	108.7885	0.163	2
474	790	891	0:SP3_SP-NON_SP2	C[5,6]	Cl	S[5]	4:2:2:1:	4:	4:3:	C[5,6]-4:S[5]-2:S[6]-2:Cl-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]S[5]S[6]Cl)(S[5]C[5])(S[6]C[6])(Cl)	Cl(C[5,6]C[5,6]S[5]S[6])	S[5](C[5,6]C[5,6]S[6]Cl)(C[5]S[5]O)	C[5,6](C[5,6]S[5]S[6]Cl)(S[5]C[5])(S[6]C[6])(Cl){2|Cl<1>,1|C<3>,1|O<1>}	Cl(C[5,6]C[5,6]S[5]S[6])	S[5](C[5,6]C[5,6]S[6]Cl)(C[5]S[5]O){1|Cl<1>,1|C<4>,1|S<2>}	109.0740	0.000	1	108.7885	0.163	2	108.7885	0.163	2	108.7885	0.163	2	108.7885	0.163	2	108.7885	0.163	2
474	790	891	0:SP3_SP-NON_SP3	C[5]	Cl	S[5]	4:2:1:1:	4:	4:4:	C[5]-4:S[5]-2:Cl-1:H-1:	C[5]-4:	C[4,5]-4:C[5]-4:	C[5](C[5]C[4,5]CH)(S[5]C[4,5])(Cl)(H)	Cl(C[5]C[5]S[5]H)	S[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]ClH)	C[5](C[5]C[4,5]CH)(S[5]C[4,5])(Cl)(H){1|C<3>,1|C<4>,2|H<1>}	Cl(C[5]C[5]S[5]H)	S[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]ClH){2|Cl<1>,2|C<3>,2|H<1>}	111.8060	0.000	1	111.8060	0.000	1	111.8060	0.000	1	111.8060	0.000	1	111.8060	0.000	1	111.8060	0.000	1
474	790	893	0:SP3_SP-NON_SP3	C[5,5]	Cl	O	4:4:2:1:	4:	4:4:	C[4,5,5,6,6]-4:C[4,5,5,6,6]-4:O-2:Cl-1:	C[5,5]-4:	C[5,5]-4:C[5,5]-4:	C[5,5](C[4,5,5,6,6]C[4,4,5,3x6]2Br)(C[4,5,5,6,6]C[4,4,5,3x6]2H)(OC[5,5])(Cl)	Cl(C[5,5]C[4,5,5,6,6]2O)	O(C[5,5]C[4,5,5,6,6]2Cl)2	C[5,5](C[4,5,5,6,6]C[4,4,5,3x6]2Br)(C[4,5,5,6,6]C[4,4,5,3x6]2H)(OC[5,5])(Cl){2|C<4>,4|H<1>}	Cl(C[5,5]C[4,5,5,6,6]2O)	O(C[5,5]C[4,5,5,6,6]2Cl)2	111.2665	0.173	2	111.2665	0.030	2	111.2665	0.030	2	111.2665	0.030	2	111.2665	0.030	2	111.2665	0.030	2
474	790	909	0:SP3_SP-NON_SP2	C[5]	Cl	S	4:3:2:1:	4:	4:3:	C[5]-4:C[5]-3:S-2:Cl-1:	C[5]-4:	C[5]-4:C[6a]-3:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]O)(SC[6a])(Cl)	Cl(C[5]C[5]2S)	S(C[5]C[5]2Cl)(C[6a]C[6a]2)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]O)(SC[6a])(Cl){2|C<3>,2|C<4>}	Cl(C[5]C[5]2S)	S(C[5]C[5]2Cl)(C[6a]C[6a]2)	113.1220	0.000	1	113.1220	0.000	1	113.1220	0.000	1	113.1220	0.000	1	113.1220	0.000	1	113.1220	0.000	1
474	790	930	0:SP3_SP-NON_SP2	C[5,6]	Cl	C	4:4:3:1:	4:	4:2:1:	C[5,6]-4:C[5,6]-4:C-3:Cl-1:	C[5,6]-4:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[6]O[5]H)(COO)(Cl)	Cl(C[5,6]C[5,6]2C)	C(C[5,6]C[5,6]2Cl)(OC)(O)	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[6]O[5]H)(COO)(Cl){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	Cl(C[5,6]C[5,6]2C)	C(C[5,6]C[5,6]2Cl)(OC)(O)	104.8010	0.000	1	104.4095	0.307	2	104.4095	0.307	2	104.4095	0.307	2	104.4095	0.307	2	106.7442	4.448	6
474	790	930	0:SP3_SP-NON_SP2	C[5,6]	Cl	C	4:4:3:1:	4:	4:2:1:	C[5,6]-4:C[5,6]-4:C-3:Cl-1:	C[5,6]-4:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[6]O[5]H)(COO)(Cl)	Cl(C[5,6]C[5,6]2C)	C(C[5,6]C[5,6]2Cl)(OC)(O)	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[6]O[5]H)(COO)(Cl){1|C<3>,1|C<4>,4|H<1>}	Cl(C[5,6]C[5,6]2C)	C(C[5,6]C[5,6]2Cl)(OC)(O)	104.0180	0.000	1	104.4095	0.307	2	104.4095	0.307	2	104.4095	0.307	2	104.4095	0.307	2	106.7442	4.448	6
474	790	930	0:SP3_SP-NON_SP2	C[5]	Cl	C	4:3:3:1:	4:	4:2:1:	C[5]-4:C[5]-3:C-3:Cl-1:	C[5]-4:	C[5]-4:O-2:O-1:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(COO)(Cl)	Cl(C[5]C[5]2C)	C(C[5]C[5]2Cl)(OC)(O)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(COO)(Cl){4|C<3>}	Cl(C[5]C[5]2C)	C(C[5]C[5]2Cl)(OC)(O)	108.8290	0.000	1	108.8290	0.000	1	108.8290	0.000	1	108.8290	0.000	1	107.9115	1.860	4	106.7442	4.448	6
474	790	930	0:SP3_SP-NON_SP2	C[5]	Cl	C	4:4:3:1:	4:	4:2:1:	C[5,5]-4:C[5]-4:C-3:Cl-1:	C[5]-4:	C[5]-4:O-2:O-1:	C[5](C[5,5]C[5,6a]2N[5])(C[5]N[5]HH)(COO)(Cl)	Cl(C[5]C[5,5]C[5]C)	C(C[5]C[5,5]C[5]Cl)(OC)(O)	C[5](C[5,5]C[5,6a]2N[5])(C[5]N[5]HH)(COO)(Cl){1|C<2>,5|C<3>}	Cl(C[5]C[5,5]C[5]C)	C(C[5]C[5,5]C[5]Cl)(OC)(O)	107.9295	1.957	2	107.9295	3.828	2	107.9295	3.828	2	107.9295	3.828	2	107.9115	1.860	4	106.7442	4.448	6
474	790	930	0:SP3_SP-NON_SP2	C[5]	Cl	C	4:4:3:1:	4:	4:4:1:	C[5]-4:C[5]-4:C-3:Cl-1:	C[5]-4:	C[5]-4:C-4:O-1:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]OO)(CCO)(Cl)	Cl(C[5]C[5]2C)	C(C[5]C[5]2Cl)(CHHO)(O)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]OO)(CCO)(Cl){2|C<4>,2|H<1>}	Cl(C[5]C[5]2C)	C(C[5]C[5]2Cl)(CHHO)(O)	106.9580	0.000	1	106.9580	0.000	1	106.9580	0.000	1	106.9580	0.000	1	107.9115	1.860	4	106.7442	4.448	6
474	790	941	0:SP3_SP-NON_SP2	C[5]	Cl	N	4:4:2:1:	4:	4:1:	C[5,5]-4:C[5]-4:N-2:Cl-1:	C[5]-4:	C[5]-4:O-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(NO)(Cl)	Cl(C[5]C[5,5]C[5]N)	N(C[5]C[5,5]C[5]Cl)(O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(NO)(Cl){2|C<4>,2|H<1>,2|O<2>}	Cl(C[5]C[5,5]C[5]N)	N(C[5]C[5,5]C[5]Cl)(O)	114.9350	0.000	1	114.9350	0.000	1	113.9540	1.925	2	113.9540	1.925	2	113.9540	1.925	2	113.9540	1.925	2
474	790	941	0:SP3_SP-NON_SP2	C[5]	Cl	N	4:4:2:1:	4:	4:1:	C[5,5]-4:C[5]-4:N-2:Cl-1:	C[5]-4:	C[5]-4:O-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(NO)(Cl)	Cl(C[5]C[5,5]C[5]N)	N(C[5]C[5,5]C[5]Cl)(O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(NO)(Cl){1|C<4>,1|H<1>,1|O<2>}	Cl(C[5]C[5,5]C[5]N)	N(C[5]C[5,5]C[5]Cl)(O)	112.9730	0.000	1	112.9730	0.000	1	113.9540	1.925	2	113.9540	1.925	2	113.9540	1.925	2	113.9540	1.925	2
474	790	951	0:SP3_SP-NON_SP-NON	C[5,6,6]	Cl	H	4:4:1:1:	4:	4:	C[4,5,3x6]-4:C[5,5,6,6]-4:Cl-1:H-1:	C[5,6,6]-4:	C[5,6,6]-4:	C[5,6,6](C[4,5,3x6]C[4,5,5,6]C[4,6,6]C[6])(C[5,5,6,6]C[5,6,6]C[5,5]H)(Cl)(H)	Cl(C[5,6,6]C[4,5,3x6]C[5,5,6,6]H)	H(C[5,6,6]C[4,5,3x6]C[5,5,6,6]Cl)	C[5,6,6](C[4,5,3x6]C[4,5,5,6]C[4,6,6]C[6])(C[5,5,6,6]C[5,6,6]C[5,5]H)(Cl)(H){1|O<2>,3|C<4>,7|H<1>}	Cl(C[5,6,6]C[4,5,3x6]C[5,5,6,6]H)	H(C[5,6,6]C[4,5,3x6]C[5,5,6,6]Cl)	108.4473	0.233	3	108.4473	0.054	3	108.4473	0.054	3	108.4473	0.054	3	108.4473	0.054	3	107.6722	12.657	64
474	790	951	0:SP3_SP-NON_SP-NON	C[5,6]	Cl	H	4:4:1:1:	4:	4:	C[4,5,6]-4:C[5,6]-4:Cl-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[4,5,6]C[4,5,5]C[4,6,6]C)(C[5,6]C[5,6,6]O[5]H)(Cl)(H)	Cl(C[5,6]C[4,5,6]C[5,6]H)	H(C[5,6]C[4,5,6]C[5,6]Cl)	C[5,6](C[4,5,6]C[4,5,5]C[4,6,6]C)(C[5,6]C[5,6,6]O[5]H)(Cl)(H){1|H<1>,2|C<3>,3|C<4>}	Cl(C[5,6]C[4,5,6]C[5,6]H)	H(C[5,6]C[4,5,6]C[5,6]Cl)	111.4490	0.000	1	111.4490	0.000	1	111.4490	0.000	1	106.3352	13.943	22	106.3352	13.943	22	107.6722	12.657	64
474	790	951	0:SP3_SP-NON_SP-NON	C[5,6]	Cl	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[5,5,6]-4:Cl-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[3x5,6]C[5]H)(Cl)(H)	Cl(C[5,6]C[5,5,6,6]C[5,5,6]H)	H(C[5,6]C[5,5,6,6]C[5,5,6]Cl)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[3x5,6]C[5]H)(Cl)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	Cl(C[5,6]C[5,5,6,6]C[5,5,6]H)	H(C[5,6]C[5,5,6,6]C[5,5,6]Cl)	108.7625	0.258	2	108.8213	0.044	3	108.8213	0.044	3	106.3352	13.943	22	106.3352	13.943	22	107.6722	12.657	64
474	790	951	0:SP3_SP-NON_SP-NON	C[5,6]	Cl	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[5,5,6]-4:Cl-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[3x5,6]C[5]H)(Cl)(H)	Cl(C[5,6]C[5,5,6,6]C[5,5,6]H)	H(C[5,6]C[5,5,6,6]C[5,5,6]Cl)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[3x5,6]C[5]H)(Cl)(H){1|O<2>,4|C<4>,4|H<1>}	Cl(C[5,6]C[5,5,6,6]C[5,5,6]H)	H(C[5,6]C[5,5,6,6]C[5,5,6]Cl)	108.9390	0.000	1	108.8213	0.044	3	108.8213	0.044	3	106.3352	13.943	22	106.3352	13.943	22	107.6722	12.657	64
474	790	951	0:SP3_SP-NON_SP-NON	C[5,6]	Cl	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:Cl-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5]N[5])(C[5,5,6]C[5,5]C[5,6]H)(Cl)(H)	Cl(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2Cl)	C[5,6](C[5,5,6]C[5,5,6]C[5]N[5])(C[5,5,6]C[5,5]C[5,6]H)(Cl)(H){1|N<3>,1|O<1>,2|C<3>,5|H<1>}	Cl(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2Cl)	109.2580	0.000	1	109.2580	0.000	1	108.4046	0.325	5	106.3352	13.943	22	106.3352	13.943	22	107.6722	12.657	64
474	790	951	0:SP3_SP-NON_SP-NON	C[5,6]	Cl	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:Cl-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]N[5]O[5])(C[5,5,6]C[5,5]C[5,6]H)(Cl)(H)	Cl(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2Cl)	C[5,6](C[5,5,6]C[5,5,6]N[5]O[5])(C[5,5,6]C[5,5]C[5,6]H)(Cl)(H){1|C<3>,3|C<4>,4|H<1>}	Cl(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2Cl)	108.1453	0.426	3	108.1453	0.182	3	108.4046	0.325	5	106.3352	13.943	22	106.3352	13.943	22	107.6722	12.657	64
474	790	951	0:SP3_SP-NON_SP-NON	C[5,6]	Cl	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:Cl-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]Cl)(C[5,5,6]C[5,5,6]N[5]O[5])(Cl)(H)	Cl(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2Cl)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]Cl)(C[5,5,6]C[5,5,6]N[5]O[5])(Cl)(H){1|Cl<1>,2|C<3>,2|H<1>,3|C<4>}	Cl(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2Cl)	108.3290	0.000	1	108.3290	0.000	1	108.4046	0.325	5	106.3352	13.943	22	106.3352	13.943	22	107.6722	12.657	64
474	790	951	0:SP3_SP-NON_SP-NON	C[5,6]	Cl	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:Cl-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]Cl)(C[5,6]C[5,5,6]ClH)(Cl)(H)	Cl(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]Cl)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]Cl)(C[5,6]C[5,5,6]ClH)(Cl)(H){3|Cl<1>,1|H<1>,2|C<4>}	Cl(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]Cl)	101.9252	4.388	2	101.9252	19.255	2	103.8584	14.845	11	106.3352	13.943	22	106.3352	13.943	22	107.6722	12.657	64
474	790	951	0:SP3_SP-NON_SP-NON	C[5,6]	Cl	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:Cl-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]Cl2)(Cl)(H)	Cl(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]Cl)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]Cl2)(Cl)(H){2|Cl<1>,1|H<1>,3|C<4>}	Cl(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]Cl)	107.6830	0.000	1	107.6830	0.000	1	103.8584	14.845	11	106.3352	13.943	22	106.3352	13.943	22	107.6722	12.657	64
474	790	951	0:SP3_SP-NON_SP-NON	C[5,6]	Cl	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:Cl-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]ClH)(Cl)(H)	Cl(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]Cl)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]ClH)(Cl)(H){3|C<4>,3|H<1>}	Cl(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]Cl)	106.2510	3.605	2	106.2510	12.995	2	103.8584	14.845	11	106.3352	13.943	22	106.3352	13.943	22	107.6722	12.657	64
474	790	951	0:SP3_SP-NON_SP-NON	C[5,6]	Cl	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:Cl-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(Cl)(H)	Cl(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]Cl)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(Cl)(H){1|Cl<1>,2|H<1>,3|C<4>}	Cl(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]Cl)	101.7875	0.073	2	101.7875	0.005	2	103.8584	14.845	11	106.3352	13.943	22	106.3352	13.943	22	107.6722	12.657	64
474	790	951	0:SP3_SP-NON_SP-NON	C[5,6]	Cl	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:Cl-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CS)(Cl)(H)	Cl(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]Cl)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CS)(Cl)(H){1|C<3>,4|H<1>}	Cl(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]Cl)	109.4030	0.000	1	109.4030	0.000	1	103.8584	14.845	11	106.3352	13.943	22	106.3352	13.943	22	107.6722	12.657	64
474	790	951	0:SP3_SP-NON_SP-NON	C[5,6]	Cl	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:Cl-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]ClH)(Cl)(H)	Cl(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]Cl)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]ClH)(Cl)(H){2|Cl<1>,4|C<4>}	Cl(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]Cl)	99.5891	1.072	2	99.5891	1.149	2	103.8584	14.845	11	106.3352	13.943	22	106.3352	13.943	22	107.6722	12.657	64
474	790	951	0:SP3_SP-NON_SP-NON	C[5,6]	Cl	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:Cl-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(Cl)(H)	Cl(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]Cl)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(Cl)(H){1|C<3>,4|H<1>}	Cl(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]Cl)	106.2510	0.000	1	106.2510	0.000	1	103.8584	14.845	11	106.3352	13.943	22	106.3352	13.943	22	107.6722	12.657	64
474	790	951	0:SP3_SP-NON_SP-NON	C[5,6]	Cl	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,6]-4:Cl-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6a]C[6,6]O[5])(C[5,6]C[6]O[5]C)(Cl)(H)	Cl(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]Cl)	C[5,6](C[5,6,6]C[6,6a]C[6,6]O[5])(C[5,6]C[6]O[5]C)(Cl)(H){2|C<3>,2|C<4>,3|H<1>}	Cl(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]Cl)	108.4980	0.130	2	108.4980	0.017	2	108.4980	0.017	2	106.3352	13.943	22	106.3352	13.943	22	107.6722	12.657	64
474	790	951	0:SP3_SP-NON_SP-NON	C[5]	Cl	H	3:2:1:1:	4:	4:	C[5,6a]-3:O[5]-2:Cl-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(Cl)(H)	Cl(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]Cl)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(Cl)(H){1|H<1>,1|O<1>,2|C<3>}	Cl(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]Cl)	110.2400	0.000	1	110.2400	0.000	1	110.2400	0.000	1	110.2400	0.000	1	108.3668	11.699	39	107.6722	12.657	64
474	790	951	0:SP3_SP-NON_SP-NON	C[5]	Cl	H	3:3:1:1:	4:	4:	C[5]-3:S[5]-3:Cl-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]H)(S[5]C[5]O)(Cl)(H)	Cl(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]Cl)	C[5](C[5]C[5]H)(S[5]C[5]O)(Cl)(H){1|Cl<1>,2|H<1>}	Cl(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]Cl)	106.2985	2.869	2	106.2985	8.230	2	106.2985	8.230	2	107.7187	10.165	3	108.3668	11.699	39	107.6722	12.657	64
474	790	951	0:SP3_SP-NON_SP-NON	C[5]	Cl	H	3:3:1:1:	4:	4:	N[5]-3:N[5]-3:Cl-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])2(Cl)(H)	Cl(C[5]N[5]2H)	H(C[5]N[5]2Cl)	C[5](N[5]C[6a]C[5])2(Cl)(H){2|O<1>,4|C<3>}	Cl(C[5]N[5]2H)	H(C[5]N[5]2Cl)	110.5590	0.000	1	110.5590	0.000	1	110.5590	0.000	1	107.7187	10.165	3	108.3668	11.699	39	107.6722	12.657	64
474	790	951	0:SP3_SP-NON_SP-NON	C[5]	Cl	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:Cl-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]B[5])(C[5]N[5]ClH)(Cl)(H)	Cl(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]Cl)	C[5](N[5]C[6a]B[5])(C[5]N[5]ClH)(Cl)(H){1|Cl<1>,3|C<3>}	Cl(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]Cl)	95.8768	0.445	2	95.8768	0.198	2	95.8768	0.198	2	95.8768	0.198	2	108.3668	11.699	39	107.6722	12.657	64
474	790	951	0:SP3_SP-NON_SP-NON	C[5]	Cl	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:Cl-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]C[5]H)(O[5]C[5,6a])(Cl)(H)	Cl(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]Cl)	C[5](C[5]C[5,6a]C[5]H)(O[5]C[5,6a])(Cl)(H){1|O<2>,4|C<3>}	Cl(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]Cl)	110.5310	0.000	1	110.5310	0.000	1	110.5310	0.000	1	110.1955	0.225	2	108.3668	11.699	39	107.6722	12.657	64
474	790	951	0:SP3_SP-NON_SP-NON	C[5]	Cl	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:Cl-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[4,5]CH)(S[5]C[4,5])(Cl)(H)	Cl(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]Cl)	C[5](C[5]C[4,5]CH)(S[5]C[4,5])(Cl)(H){1|C<3>,1|C<4>,2|H<1>}	Cl(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]Cl)	109.8600	0.000	1	109.8600	0.000	1	109.8600	0.000	1	110.1955	0.225	2	108.3668	11.699	39	107.6722	12.657	64
474	790	951	0:SP3_SP-NON_SP-NON	C[5]	Cl	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[5]-3:Cl-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]C)(Cl)(H)	Cl(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]Cl)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]C)(Cl)(H){1|C<3>,2|H<1>,3|C<4>}	Cl(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]Cl)	103.9030	0.000	1	103.9030	0.000	1	107.6237	10.406	3	107.9961	2.828	9	108.3668	11.699	39	107.6722	12.657	64
474	790	951	0:SP3_SP-NON_SP-NON	C[5]	Cl	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[5]-3:Cl-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]H)(Cl)(H)	Cl(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]Cl)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]H)(Cl)(H){1|C<3>,2|H<1>,3|C<4>}	Cl(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]Cl)	109.4840	0.218	2	109.4840	0.047	2	107.6237	10.406	3	107.9961	2.828	9	108.3668	11.699	39	107.6722	12.657	64
474	790	951	0:SP3_SP-NON_SP-NON	C[5]	Cl	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:Cl-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(Cl)(H)	Cl(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]Cl)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(Cl)(H){1|C<4>,2|C<3>,4|H<1>}	Cl(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]Cl)	107.6070	0.000	1	107.5840	0.001	2	107.5840	0.001	2	107.9961	2.828	9	108.3668	11.699	39	107.6722	12.657	64
474	790	951	0:SP3_SP-NON_SP-NON	C[5]	Cl	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:Cl-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(Cl)(H)	Cl(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]Cl)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(Cl)(H){3|C<3>,4|H<1>}	Cl(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]Cl)	107.5610	0.000	1	107.5840	0.001	2	107.5840	0.001	2	107.9961	2.828	9	108.3668	11.699	39	107.6722	12.657	64
474	790	951	0:SP3_SP-NON_SP-NON	C[5]	Cl	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:Cl-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(Cl)(H)	Cl(C[5]C[5]2H)	H(C[5]C[5]2Cl)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(Cl)(H){1|C<3>,1|H<1>,2|C<4>}	Cl(C[5]C[5]2H)	H(C[5]C[5]2Cl)	108.3780	0.000	1	108.3780	0.000	1	108.4815	0.037	4	107.9961	2.828	9	108.3668	11.699	39	107.6722	12.657	64
474	790	951	0:SP3_SP-NON_SP-NON	C[5]	Cl	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:Cl-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]BrH)(C[5]C[5,6a]O)(Cl)(H)	Cl(C[5]C[5]2H)	H(C[5]C[5]2Cl)	C[5](C[5]C[5,6a]BrH)(C[5]C[5,6a]O)(Cl)(H){2|C<3>}	Cl(C[5]C[5]2H)	H(C[5]C[5]2Cl)	108.6360	0.000	1	108.6360	0.000	1	108.4815	0.037	4	107.9961	2.828	9	108.3668	11.699	39	107.6722	12.657	64
474	790	951	0:SP3_SP-NON_SP-NON	C[5]	Cl	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:Cl-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]O)(Cl)(H)	Cl(C[5]C[5]2H)	H(C[5]C[5]2Cl)	C[5](C[5]C[5]HO)(C[5]O[5]O)(Cl)(H){1|C<4>,1|H<1>}	Cl(C[5]C[5]2H)	H(C[5]C[5]2Cl)	108.4560	0.274	2	108.4560	0.075	2	108.4815	0.037	4	107.9961	2.828	9	108.3668	11.699	39	107.6722	12.657	64
474	790	951	0:SP3_SP-NON_SP-NON	C[5]	Cl	H	4:4:1:1:	4:	4:	C[4,5,6]-4:C[5,6]-4:Cl-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5,6]C[4,5,6]C[4,6]C[6])(C[5,6]C[5,6]C[6]H)(Cl)(H)	Cl(C[5]C[4,5,6]C[5,6]H)	H(C[5]C[4,5,6]C[5,6]Cl)	C[5](C[4,5,6]C[4,5,6]C[4,6]C[6])(C[5,6]C[5,6]C[6]H)(Cl)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	Cl(C[5]C[4,5,6]C[5,6]H)	H(C[5]C[4,5,6]C[5,6]Cl)	108.8590	0.000	1	108.4900	0.112	3	108.4900	0.112	3	109.4909	2.319	22	108.3668	11.699	39	107.6722	12.657	64
474	790	951	0:SP3_SP-NON_SP-NON	C[5]	Cl	H	4:4:1:1:	4:	4:	C[4,5,6]-4:C[5,6]-4:Cl-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5,6]C[4,5,6]C[4,6]C[6])(C[5,6]C[5,6]C[6]H)(Cl)(H)	Cl(C[5]C[4,5,6]C[5,6]H)	H(C[5]C[4,5,6]C[5,6]Cl)	C[5](C[4,5,6]C[4,5,6]C[4,6]C[6])(C[5,6]C[5,6]C[6]H)(Cl)(H){1|O<2>,4|C<4>,7|H<1>}	Cl(C[5]C[4,5,6]C[5,6]H)	H(C[5]C[4,5,6]C[5,6]Cl)	108.3055	0.141	2	108.4900	0.112	3	108.4900	0.112	3	109.4909	2.319	22	108.3668	11.699	39	107.6722	12.657	64
474	790	951	0:SP3_SP-NON_SP-NON	C[5]	Cl	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:Cl-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[6a]O[5])(C[5]O[5]HH)(Cl)(H)	Cl(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]Cl)	C[5](C[5,5]C[5,5]C[6a]O[5])(C[5]O[5]HH)(Cl)(H){1|C<4>,1|H<1>,3|C<3>}	Cl(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]Cl)	111.7320	0.000	1	111.7320	0.000	1	108.7880	2.783	5	109.4909	2.319	22	108.3668	11.699	39	107.6722	12.657	64
474	790	951	0:SP3_SP-NON_SP-NON	C[5]	Cl	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:Cl-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]HH)(Cl)(H)	Cl(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]Cl)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]HH)(Cl)(H){1|C<4>,2|H<1>,3|C<3>}	Cl(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]Cl)	107.7935	0.127	2	107.7935	0.016	2	108.7880	2.783	5	109.4909	2.319	22	108.3668	11.699	39	107.6722	12.657	64
474	790	951	0:SP3_SP-NON_SP-NON	C[5]	Cl	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:Cl-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(Cl)(H)	Cl(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]Cl)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(Cl)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	Cl(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]Cl)	108.2190	0.000	1	108.3105	0.017	2	108.7880	2.783	5	109.4909	2.319	22	108.3668	11.699	39	107.6722	12.657	64
474	790	951	0:SP3_SP-NON_SP-NON	C[5]	Cl	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:Cl-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(Cl)(H)	Cl(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]Cl)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(Cl)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	Cl(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]Cl)	108.4020	0.000	1	108.3105	0.017	2	108.7880	2.783	5	109.4909	2.319	22	108.3668	11.699	39	107.6722	12.657	64
474	790	951	0:SP3_SP-NON_SP-NON	C[5]	Cl	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:Cl-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,3x6]C[6]Cl)(C[5]N[5,6]HH)(Cl)(H)	Cl(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]Cl)	C[5](C[5,6]C[5,3x6]C[6]Cl)(C[5]N[5,6]HH)(Cl)(H){1|C<3>,1|O<1>,3|C<4>}	Cl(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]Cl)	111.1450	0.000	1	111.1450	0.000	1	110.5070	0.814	2	109.4909	2.319	22	108.3668	11.699	39	107.6722	12.657	64
474	790	951	0:SP3_SP-NON_SP-NON	C[5]	Cl	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:Cl-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(Cl)(H)	Cl(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]Cl)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(Cl)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	Cl(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]Cl)	109.8690	0.000	1	109.8690	0.000	1	110.5070	0.814	2	109.4909	2.319	22	108.3668	11.699	39	107.6722	12.657	64
474	790	951	0:SP3_SP-NON_SP-NON	C[5]	Cl	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:Cl-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(Cl)(H)	Cl(C[5]C[5]2H)	H(C[5]C[5]2Cl)	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(Cl)(H){1|C<4>,1|O<2>}	Cl(C[5]C[5]2H)	H(C[5]C[5]2Cl)	108.7620	0.000	1	108.7620	0.000	1	109.8646	2.483	12	109.4909	2.319	22	108.3668	11.699	39	107.6722	12.657	64
474	790	951	0:SP3_SP-NON_SP-NON	C[5]	Cl	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:Cl-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]N[6]H)(C[5]C[5,6]HH)(Cl)(H)	Cl(C[5]C[5]2H)	H(C[5]C[5]2Cl)	C[5](C[5]C[5,6]N[6]H)(C[5]C[5,6]HH)(Cl)(H){1|C<3>,1|H<1>,4|C<4>}	Cl(C[5]C[5]2H)	H(C[5]C[5]2Cl)	107.2530	0.000	1	107.2530	0.000	1	109.8646	2.483	12	109.4909	2.319	22	108.3668	11.699	39	107.6722	12.657	64
474	790	951	0:SP3_SP-NON_SP-NON	C[5]	Cl	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:Cl-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(Cl)(H)	Cl(C[5]C[5]2H)	H(C[5]C[5]2Cl)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(Cl)(H){4|H<1>}	Cl(C[5]C[5]2H)	H(C[5]C[5]2Cl)	110.2500	0.000	1	110.2500	0.000	1	109.8646	2.483	12	109.4909	2.319	22	108.3668	11.699	39	107.6722	12.657	64
474	790	951	0:SP3_SP-NON_SP-NON	C[5]	Cl	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:Cl-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(Cl)(H)	Cl(C[5]C[5]2H)	H(C[5]C[5]2Cl)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(Cl)(H){1|C<2>,2|C<3>}	Cl(C[5]C[5]2H)	H(C[5]C[5]2Cl)	106.8300	0.000	1	106.8300	0.000	1	109.8646	2.483	12	109.4909	2.319	22	108.3668	11.699	39	107.6722	12.657	64
474	790	951	0:SP3_SP-NON_SP-NON	C[5]	Cl	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:Cl-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(Cl)(H)	Cl(C[5]C[5]2H)	H(C[5]C[5]2Cl)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(Cl)(H){1|C<4>,1|H<1>}	Cl(C[5]C[5]2H)	H(C[5]C[5]2Cl)	111.2076	0.229	5	111.2076	0.053	5	109.8646	2.483	12	109.4909	2.319	22	108.3668	11.699	39	107.6722	12.657	64
474	790	951	0:SP3_SP-NON_SP-NON	C[5]	Cl	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:Cl-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]S[5]HH)(Cl)(H)	Cl(C[5]C[5]2H)	H(C[5]C[5]2Cl)	C[5](C[5]C[5]HO)(C[5]S[5]HH)(Cl)(H){2|H<1>,2|O<1>}	Cl(C[5]C[5]2H)	H(C[5]C[5]2Cl)	110.0770	0.000	2	110.0770	0.000	2	109.8646	2.483	12	109.4909	2.319	22	108.3668	11.699	39	107.6722	12.657	64
474	790	951	0:SP3_SP-NON_SP-NON	C[5]	Cl	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:Cl-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]SeH)(C[5]C[5]HH)(Cl)(H)	Cl(C[5]C[5]2H)	H(C[5]C[5]2Cl)	C[5](C[5]C[5]SeH)(C[5]C[5]HH)(Cl)(H){4|H<1>}	Cl(C[5]C[5]2H)	H(C[5]C[5]2Cl)	109.0880	0.000	1	109.0880	0.000	1	109.8646	2.483	12	109.4909	2.319	22	108.3668	11.699	39	107.6722	12.657	64
474	790	956	0:SP3_SP-NON_SP2	C[5]	Cl	N	4:4:3:1:	4:	4:1:1:	C[5]-4:C[5]-4:N-3:Cl-1:	C[5]-4:	C[5]-4:O-1:O-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(NOO)(Cl)	Cl(C[5]C[5]2N)	N(C[5]C[5]2Cl)(O)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(NOO)(Cl){2|H<1>,3|C<3>}	Cl(C[5]C[5]2N)	N(C[5]C[5]2Cl)(O)2	104.1970	0.000	1	104.1970	0.000	1	104.1970	0.000	1	104.1970	0.000	1	104.1970	0.000	1	104.1970	0.000	1
474	790	960	0:SP3_SP-NON_SP2	C[5]	Cl	N[5]	3:2:1:1:	4:	4:3:	C[5,6a]-3:N[5]-2:Cl-1:Cl-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(Cl)2	Cl(C[5]C[5,6a]N[5]Cl)	N[5](C[5]C[5,6a]Cl2)(C[5]C[5,6a]Cl)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(Cl)2{1|Cl<1>,1|H<1>,2|C<3>}	Cl(C[5]C[5,6a]N[5]Cl)	N[5](C[5]C[5,6a]Cl2)(C[5]C[5,6a]Cl){2|C<3>}	108.6450	0.334	2	108.6450	0.111	2	108.6450	0.111	2	108.6450	0.111	2	107.4230	4.536	3	107.4230	4.536	3
474	790	960	0:SP3_SP-NON_SP2	C[5]	Cl	N[5]	3:2:4:1:	4:	3:4:	C[5,5]-3:N[5]-2:C-4:Cl-1:	C[5]-4:	C[5,6]-3:C[5]-4:	C[5](C[5,5]C[5,5,6]C[5])(N[5]C[5,6])(CC3)(Cl)	Cl(C[5]C[5,5]N[5]C)	N[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]ClC)	C[5](C[5,5]C[5,5,6]C[5])(N[5]C[5,6])(CC3)(Cl){1|Cl<1>,1|C<3>,1|N<2>,2|C<4>}	Cl(C[5]C[5,5]N[5]C)	N[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]ClC){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	104.9790	0.000	1	104.9790	0.000	1	104.9790	0.000	1	104.9790	0.000	1	107.4230	4.536	3	107.4230	4.536	3
474	790	976	0:SP3_SP-NON_SP2	C[5]	Cl	O[5]	3:2:1:1:	4:	4:3:	C[5,6a]-3:O[5]-2:Cl-1:H-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(Cl)(H)	Cl(C[5]C[5,6a]O[5]H)	O[5](C[5]C[5,6a]ClH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(Cl)(H){1|H<1>,1|O<1>,2|C<3>}	Cl(C[5]C[5,6a]O[5]H)	O[5](C[5]C[5,6a]ClH)(C[5]C[5,6a]O){2|C<3>}	109.6050	0.000	1	109.6050	0.000	1	109.6050	0.000	1	109.6050	0.000	1	108.1910	2.581	3	108.1910	2.581	3
474	790	976	0:SP3_SP-NON_SP2	C[5]	Cl	O[5]	3:3:2:1:	4:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:Cl-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(Cl)	Cl(C[5]C[5,6a]C[6a]O[5])	O[5](C[5]C[5,6a]C[6a]Cl)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(Cl){1|O<1>,3|H<1>,4|C<3>}	Cl(C[5]C[5,6a]C[6a]O[5])	O[5](C[5]C[5,6a]C[6a]Cl)(C[5]C[5,6a]O){4|C<3>}	106.4440	0.000	1	106.4440	0.000	1	106.4440	0.000	1	106.4440	0.000	1	108.1910	2.581	3	108.1910	2.581	3
474	790	976	0:SP3_SP-NON_SP2	C[5]	Cl	O[5]	4:2:1:1:	4:	3:4:	C[5]-4:O[5]-2:Cl-1:H-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]C[5]H)(O[5]C[5,6a])(Cl)(H)	Cl(C[5]C[5]O[5]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]ClH)	C[5](C[5]C[5,6a]C[5]H)(O[5]C[5,6a])(Cl)(H){1|O<2>,4|C<3>}	Cl(C[5]C[5]O[5]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]ClH){1|C<4>,2|C<3>,2|H<1>}	108.5240	0.000	1	108.5240	0.000	1	108.5240	0.000	1	108.5240	0.000	1	108.1910	2.581	3	108.1910	2.581	3
474	790	976	0:SP3_SP-NON_SP3	C[5]	Cl	O[5]	2:2:4:1:	4:	4:2:	O[5]-2:O[5]-2:C-4:Cl-1:	C[5]-4:	C[5]-4:O[5]-2:	C[5](O[5]C[5])(O[5]O[5])(CClHH)(Cl)	Cl(C[5]O[5]2C)	O[5](C[5]O[5]ClC)(O[5]C[5])	C[5](O[5]C[5])(O[5]O[5])(CClHH)(Cl){1|Cl<1>,1|C<4>}	Cl(C[5]O[5]2C)	O[5](C[5]O[5]ClC)(O[5]C[5]){1|Cl<1>,1|C<4>}	110.5235	0.183	2	110.5235	0.034	2	110.5235	0.034	2	110.5235	0.034	2	109.8593	0.666	4	109.8593	0.666	4
474	790	976	0:SP3_SP-NON_SP3	C[5]	Cl	O[5]	2:2:4:1:	4:	4:4:	O[5]-2:O[5]-2:C-4:Cl-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](O[5]C[5])(O[5]O[5])(CClHH)(Cl)	Cl(C[5]O[5]2C)	O[5](C[5]O[5]ClC)2	C[5](O[5]C[5])(O[5]O[5])(CClHH)(Cl){1|Cl<1>,1|C<4>}	Cl(C[5]O[5]2C)	O[5](C[5]O[5]ClC)2	109.1950	0.447	2	109.1950	0.200	2	109.1950	0.200	2	109.1950	0.200	2	109.8593	0.666	4	109.8593	0.666	4
474	790	983	0:SP3_SP-NON_SP1	C[5]	Cl	C	4:4:2:1:	4:	4:1:	C[5]-4:C[5]-4:C-2:Cl-1:	C[5]-4:	C[5]-4:N-1:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CN)(Cl)	Cl(C[5]C[5]2C)	C(C[5]C[5]2Cl)(N)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CN)(Cl){1|H<1>,4|C<3>}	Cl(C[5]C[5]2C)	C(C[5]C[5]2Cl)(N)	106.9770	0.000	1	106.9770	0.000	1	106.9770	0.000	1	106.9770	0.000	1	106.9770	0.000	1	106.9770	0.000	1
474	811	951	0:SP3_SP-NON_SP3	C[5,3x6]	B[6,6,6a]	H	4:4:4:1:	4:3:3:3:	4:	C[5,3x6]-4:B[6,6,6a]-4:C[5,5,6]-4:H-1:	C[5,3x6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[6a]-3:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]B[6,6,6a]C[5,5,6]H)(B[6,6,6a]C[5,6,6a]2C[6a])(C[5,5,6]C[5,5]C[5,6]H)(H)	B[6,6,6a](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[5,6,6a]N[5,6,6a]O[5])2(C[6a]C[6a]2)	H(C[5,3x6]B[6,6,6a]C[5,3x6]C[5,5,6])	C[5,3x6](C[5,3x6]B[6,6,6a]C[5,5,6]H)(B[6,6,6a]C[5,6,6a]2C[6a])(C[5,5,6]C[5,5]C[5,6]H)(H){1|C<4>,2|N<3>,2|O<2>,3|C<3>,5|H<1>}	B[6,6,6a](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[5,6,6a]N[5,6,6a]O[5])2(C[6a]C[6a]2){1|B<4>,2|C<3>,4|H<1>,7|C<4>}	H(C[5,3x6]B[6,6,6a]C[5,3x6]C[5,5,6])	108.0590	0.000	1	108.0590	0.000	1	108.0590	0.000	1	107.7735	0.163	2	107.7735	0.163	2	107.7735	0.163	2
474	811	951	0:SP3_SP-NON_SP3	C[5,3x6]	B[6,6,6a]	H	4:4:4:1:	4:3:3:3:	4:	C[5,3x6]-4:B[6,6,6a]-4:C[5,5,6]-4:H-1:	C[5,3x6]-4:N[5,6,6a]-3:N[5,6,6a]-3:C[6a]-3:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]B[6,6,6a]C[5,5,6]H)(B[6,6,6a]N[5,6,6a]2C[6a])(C[5,5,6]C[5,5]C[5,6]H)(H)	B[6,6,6a](C[5,3x6]C[5,3x6]C[5,5,6]H)(N[5,6,6a]C[5,6,6a]C[5])2(C[6a]C[6a]2)	H(C[5,3x6]B[6,6,6a]C[5,3x6]C[5,5,6])	C[5,3x6](C[5,3x6]B[6,6,6a]C[5,5,6]H)(B[6,6,6a]N[5,6,6a]2C[6a])(C[5,5,6]C[5,5]C[5,6]H)(H){3|C<4>,5|C<3>,5|H<1>}	B[6,6,6a](C[5,3x6]C[5,3x6]C[5,5,6]H)(N[5,6,6a]C[5,6,6a]C[5])2(C[6a]C[6a]2){1|B<4>,2|C<3>,2|O<2>,4|H<1>,9|C<4>}	H(C[5,3x6]B[6,6,6a]C[5,3x6]C[5,5,6])	107.4880	0.000	1	107.4880	0.000	1	107.4880	0.000	1	107.7735	0.163	2	107.7735	0.163	2	107.7735	0.163	2
474	813	813	0:SP3_SP2_SP2	C[5]	N[5a]	N[5a]	3:3:4:3:	4:3:2:	4:3:2:	N[5a]-3:N[5a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5a]-3:N[5a]-2:	C[5]-4:C[5a]-3:N[5a]-2:	C[5](N[5a]C[5a]N[5a])2(C[5]C[5]HO)(C[5]C[5]O)	N[5a](C[5]N[5a]C[5]2)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5]N[5a]C[5]2)(C[5a]C[5a]H)(N[5a]C[5a])	C[5](N[5a]C[5a]N[5a])2(C[5]C[5]HO)(C[5]C[5]O){4|C<3>,6|H<1>}	N[5a](C[5]N[5a]C[5]2)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	N[5a](C[5]N[5a]C[5]2)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	108.4450	0.000	1	108.4450	0.000	1	108.4450	0.000	1	108.4450	0.000	1	108.4450	0.000	1	108.4450	0.000	1
474	813	818	0:SP3_SP2_SP2	C[5,5]	N[5a]	C[5]	4:3:4:3:	4:2:2:	4:2:1:	C[5,5]-4:N[5a]-3:C[5]-4:C[5]-3:	C[5,5]-4:N[5a]-2:N[5a]-2:	C[5,5]-4:O[5]-2:O-1:	C[5,5](C[5,5]C[5]N[5]O)(N[5a]N[5a]2)(C[5]C[5]HH)(C[5]O[5]O)	N[5a](C[5,5]C[5,5]C[5]2)(N[5a]C[5a])2	C[5](C[5,5]C[5,5]N[5a]C[5])(O[5]C[5])(O)	C[5,5](C[5,5]C[5]N[5]O)(N[5a]N[5a]2)(C[5]C[5]HH)(C[5]O[5]O){2|H<1>,3|C<3>}	N[5a](C[5,5]C[5,5]C[5]2)(N[5a]C[5a])2{1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	C[5](C[5,5]C[5,5]N[5a]C[5])(O[5]C[5])(O){1|C<3>,1|O<2>,3|N<2>,4|H<1>}	107.6580	0.000	1	107.6580	0.000	1	107.6580	0.000	1	107.6580	0.000	1	107.9115	0.129	2	110.2573	6.676	47
474	813	818	0:SP3_SP2_SP2	C[5,5]	N[5a]	C[5]	4:3:4:3:	4:2:2:	4:3:1:	C[5,5]-4:N[5a]-3:C[5]-4:C[5]-3:	C[5,5]-4:N[5a]-2:N[5a]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,5]C[5]N[5]O)(N[5a]N[5a]2)(C[5]C[5]HH)(C[5]N[5]O)	N[5a](C[5,5]C[5,5]C[5]2)(N[5a]C[5a])2	C[5](C[5,5]C[5,5]N[5a]C[5])(N[5]C[5]H)(O)	C[5,5](C[5,5]C[5]N[5]O)(N[5a]N[5a]2)(C[5]C[5]HH)(C[5]N[5]O){3|C<3>,3|H<1>}	N[5a](C[5,5]C[5,5]C[5]2)(N[5a]C[5a])2{1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]N[5a]C[5])(N[5]C[5]H)(O){1|C<3>,1|O<2>,3|N<2>,4|H<1>}	108.1650	0.000	1	108.1650	0.000	1	108.1650	0.000	1	108.1650	0.000	1	107.9115	0.129	2	110.2573	6.676	47
474	813	818	0:SP3_SP2_SP2	C[5,6]	N[5a,6]	C[5]	3:3:3:2:	4:3:3:	4:2:3:	N[5a,6]-3:C[5,6]-3:C[5]-3:N[5]-2:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6]-4:N[5]-2:N-3:	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]N[5,6]C[5])(C[5]N[5]N)(N[5]C[5])	N[5a,6](C[5,6]C[5,6]C[5]N[5])(C[5a,6]C[5a]C[6])(C[5a]C[5a]Br)	C[5](C[5,6]N[5a,6]C[5,6]N[5])(N[5]C[5])(NHH)	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]N[5,6]C[5])(C[5]N[5]N)(N[5]C[5]){1|Br<1>,1|H<1>,1|O<2>,2|C<4>,3|C<3>}	N[5a,6](C[5,6]C[5,6]C[5]N[5])(C[5a,6]C[5a]C[6])(C[5a]C[5a]Br){1|Br<1>,1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	C[5](C[5,6]N[5a,6]C[5,6]N[5])(N[5]C[5])(NHH){1|N<3>,1|O<2>,3|C<3>}	112.4635	0.528	2	112.4635	0.279	2	112.4635	0.279	2	112.4635	0.279	2	110.0206	6.356	16	110.2573	6.676	47
474	813	818	0:SP3_SP2_SP2	C[5,6]	N[5a,6]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:N[5a,6]-3:C[5,6]-3:C[5]-3:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5])(C[5]C[5]H)	N[5a,6](C[5,6]C[5,6a]C[5,6]C[5])(N[5a,6]C[5a]C[6])(C[5a]N[5a]O)	C[5](C[5,6]C[5,6a]N[5a,6]C[5,6])(C[5]C[5,6a]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5])(C[5]C[5]H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	N[5a,6](C[5,6]C[5,6a]C[5,6]C[5])(N[5a,6]C[5a]C[6])(C[5a]N[5a]O){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[5](C[5,6]C[5,6a]N[5a,6]C[5,6])(C[5]C[5,6a]H)(H){1|C<4>,1|N<3>,4|C<3>}	114.7315	0.340	2	114.7315	0.116	2	114.7315	0.116	2	110.6113	10.864	6	110.0206	6.356	16	110.2573	6.676	47
474	813	818	0:SP3_SP2_SP2	C[5,6]	N[5a,6]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:N[5a,6]-3:C[6,6]-3:C[5]-3:	C[5,6]-4:C[5a,6a]-3:C[5a,6]-3:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(N[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6])(C[5]C[5,6a]O)	N[5a,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])	C[5](C[5,6]C[5,6a]N[5a,6]C[6,6])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(N[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6])(C[5]C[5,6a]O){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<4>,5|C<3>}	N[5a,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6]){1|O<1>,2|H<1>,7|C<3>}	C[5](C[5,6]C[5,6a]N[5a,6]C[6,6])(C[5,6a]C[5,6a,6a]C[6a])(O){1|H<1>,7|C<3>}	109.4930	0.000	1	109.4930	0.000	1	109.4930	0.000	1	110.6113	10.864	6	110.0206	6.356	16	110.2573	6.676	47
474	813	818	0:SP3_SP2_SP2	C[5,6]	N[5a,6]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	N[5a,6]-3:C[5,6a]-3:C[5]-3:N[6]-3:	C[5,6]-4:C[5a,6a]-3:C[5a,6]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](N[5a,6]C[5a,6a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[6]C[6]H)	N[5a,6](C[5,6]C[5,6a]C[5]N[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])	C[5](C[5,6]C[5,6a]N[5a,6]N[6])(N[5]C[5,6a]C)(O)	C[5,6](N[5a,6]C[5a,6a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[6]C[6]H){1|H<1>,2|C<4>,7|C<3>}	N[5a,6](C[5,6]C[5,6a]C[5]N[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6]){1|N<3>,1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[5](C[5,6]C[5,6a]N[5a,6]N[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	109.4160	0.000	1	109.4160	0.000	1	109.4160	0.000	1	110.6113	10.864	6	110.0206	6.356	16	110.2573	6.676	47
474	813	818	0:SP3_SP2_SP2	C[5,6]	N[5a,6]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	N[5a,6]-3:C[5,6a]-3:C[6,6]-3:C[5]-3:	C[5,6]-4:C[5a,6a]-3:C[5a,6]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](N[5a,6]C[5a,6a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)	N[5a,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])	C[5](C[5,6]C[5,6a]N[5a,6]C[6,6])(N[5]C[5,6a]H)(O)	C[5,6](N[5a,6]C[5a,6a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O){1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	N[5a,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6]){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5](C[5,6]C[5,6a]N[5a,6]C[6,6])(N[5]C[5,6a]H)(O){6|C<3>}	107.6480	0.109	2	107.6480	0.012	2	107.6480	0.012	2	110.6113	10.864	6	110.0206	6.356	16	110.2573	6.676	47
474	813	818	0:SP3_SP2_SP2	C[5,6]	N[5a,6]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:N[5a,6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6]CO)(C[5]N[5]O)	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)	C[5](C[5,6]C[5,6a]N[5a,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6]CO)(C[5]N[5]O){2|C<4>,4|C<3>,4|H<1>}	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[5](C[5,6]C[5,6a]N[5a,6]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,5|C<3>}	108.3260	1.142	3	108.3260	1.304	3	109.0020	2.126	5	108.9668	2.547	8	110.0206	6.356	16	110.2573	6.676	47
474	813	818	0:SP3_SP2_SP2	C[5,6]	N[5a,6]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:N[5a,6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[5]N[5]O)	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5](C[5,6]C[5,6a]N[5a,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[5]N[5]O){1|C<4>,3|H<1>,7|C<3>}	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6a]N[5a,6]C[6])(N[5]C[5,6a]C)(O){1|H<1>,6|C<3>}	110.0160	1.571	2	110.0160	2.469	2	109.0020	2.126	5	108.9668	2.547	8	110.0206	6.356	16	110.2573	6.676	47
474	813	818	0:SP3_SP2_SP2	C[5,6]	N[5a,6]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:N[5a,6]-3:C[6]-4:C[5]-3:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[5]N[5]O)	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5](C[5,6]C[5,6a]N[5a,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[5]N[5]O){1|C<2>,1|C<4>,2|H<1>,7|C<3>}	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H){2|H<1>,2|N<3>,2|O<1>,4|C<3>}	C[5](C[5,6]C[5,6a]N[5a,6]C[6])(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,5|C<3>}	109.3470	0.000	1	108.9080	4.654	3	108.9080	4.654	3	108.9668	2.547	8	110.0206	6.356	16	110.2573	6.676	47
474	813	818	0:SP3_SP2_SP2	C[5,6]	N[5a,6]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:N[5a,6]-3:C[6]-4:C[5]-3:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[5]N[5]O)	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5](C[5,6]C[5,6a]N[5a,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[5]N[5]O){2|C<4>,4|H<1>,6|C<3>}	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|C<4>,1|N<3>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6a]N[5a,6]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	108.6885	3.003	2	108.9080	4.654	3	108.9080	4.654	3	108.9668	2.547	8	110.0206	6.356	16	110.2573	6.676	47
474	813	818	0:SP3_SP2_SP2	C[5]	N[5a]	C[5]	3:3:3:1:	4:3:3:	3:4:3:	N[5]-3:C[5]-3:N[5a]-3:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]C)(N[5a]C[5a]2)(H)	N[5a](C[5]C[5]N[5]H)(C[5a]C[5a]C)(C[5a]C[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]N[5]H)(CC[5a]C[6a])	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]C)(N[5a]C[5a]2)(H){1|H<1>,1|N<2>,6|C<3>}	N[5a](C[5]C[5]N[5]H)(C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]N[5]H)(CC[5a]C[6a]){1|H<1>,5|C<3>}	113.4170	0.000	1	113.4170	0.000	1	113.4170	0.000	1	113.4170	0.000	1	110.5498	7.044	29	110.2573	6.676	47
474	813	818	0:SP3_SP2_SP2	C[5]	N[5a]	C[5]	3:3:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:N[5a]-3:C[5]-3:S-2:	C[5]-4:C[5a]-3:C[5a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]2)(C[5]N[5]O)(SC[6a])	N[5a](C[5]C[5,6a]C[5]S)(C[5a]C[5a]H)2	C[5](C[5]C[5,6a]N[5a]S)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]2)(C[5]N[5]O)(SC[6a]){1|C<4>,3|H<1>,4|C<3>}	N[5a](C[5]C[5,6a]C[5]S)(C[5a]C[5a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]N[5a]S)(N[5]C[5,6a]C)(O){4|C<3>}	112.1875	0.159	2	112.1875	0.025	2	112.1875	0.025	2	112.1875	0.025	2	110.5498	7.044	29	110.2573	6.676	47
474	813	818	0:SP3_SP2_SP2	C[5]	N[5a]	C[5]	3:3:3:2:	4:3:3:	4:3:2:	C[5]-3:C[6a]-3:N[5a]-3:N[5]-2:	C[5]-4:C[5a]-3:C[5a]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])	N[5a](C[5]C[6a]C[5]N[5])(C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5](C[5]C[6a]N[5a]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5]){1|C<4>,1|H<1>,1|N<2>,8|C<3>}	N[5a](C[5]C[6a]C[5]N[5])(C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|N<2>,9|C<3>}	C[5](C[5]C[6a]N[5a]N[5])(C[6a]C[6a]2)(N[5]C[5]){2|H<1>,7|C<3>}	112.6730	0.000	1	113.8760	2.894	2	113.8760	2.894	2	113.8760	2.894	2	110.5498	7.044	29	110.2573	6.676	47
474	813	818	0:SP3_SP2_SP2	C[5]	N[5a]	C[5]	3:3:3:2:	4:3:3:	4:3:2:	C[5]-3:C[6a]-3:N[5a]-3:N[5]-2:	C[5]-4:C[5a]-3:C[5a]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])	N[5a](C[5]C[6a]C[5]N[5])(C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5](C[5]C[6a]N[5a]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5]){1|N<2>,2|H<1>,8|C<3>}	N[5a](C[5]C[6a]C[5]N[5])(C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|N<2>,9|C<3>}	C[5](C[5]C[6a]N[5a]N[5])(C[6a]C[6a]2)(N[5]C[5]){2|H<1>,7|C<3>}	115.0790	0.000	1	113.8760	2.894	2	113.8760	2.894	2	113.8760	2.894	2	110.5498	7.044	29	110.2573	6.676	47
474	813	818	0:SP3_SP2_SP2	C[5]	N[5a]	C[5]	3:3:3:3:	3:4:2:	4:3:1:	C[5,6a]-3:N[5a]-3:C[5]-3:N-3:	C[5a,6a]-3:C[5]-4:N[5a]-2:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[5]N[5]O)(NCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]N)(N[5a]N[5a])	C[5](C[5]C[5,6a]N[5a]N)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[5]N[5]O)(NCH){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]N)(N[5a]N[5a]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]N[5a]N)(N[5]C[5,6a]C)(O){1|N<2>,3|C<3>}	111.7180	0.000	1	111.7180	0.000	1	111.7180	0.000	1	111.7180	0.000	1	110.5498	7.044	29	110.2573	6.676	47
474	813	818	0:SP3_SP2_SP2	C[5]	N[5a]	C[5]	3:3:3:3:	4:3:2:	4:3:1:	C[5,6a]-3:N[5a]-3:C[5]-3:C[6]-3:	C[5]-4:C[5a]-3:N[5a]-2:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(C[6]C[6]2)	N[5a](C[5]C[5,6a]C[5]C[6])(C[5a]C[5a]H)(N[5a]N[5a])	C[5](C[5]C[5,6a]N[5a]C[6])(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(C[6]C[6]2){1|C<2>,1|N<2>,4|C<3>,5|H<1>}	N[5a](C[5]C[5,6a]C[5]C[6])(C[5a]C[5a]H)(N[5a]N[5a]){1|N<3>,1|O<1>,5|C<3>}	C[5](C[5]C[5,6a]N[5a]C[6])(N[5]C[5,6a]H)(O){1|N<2>,5|C<3>}	107.3040	0.000	1	107.3040	0.000	1	107.3040	0.000	1	107.4472	0.977	4	110.5498	7.044	29	110.2573	6.676	47
474	813	818	0:SP3_SP2_SP2	C[5]	N[5a]	C[5]	3:3:3:3:	4:3:2:	4:3:1:	C[5,6a]-3:N[5a]-3:C[5]-3:N-3:	C[5]-4:C[5a]-3:N[5a]-2:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(NCH)	N[5a](C[5]C[5,6a]C[5]N)(C[5a]N[5a]H)(N[5a]C[5a])	C[5](C[5]C[5,6a]N[5a]N)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(NCH){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5]C[5,6a]C[5]N)(C[5a]N[5a]H)(N[5a]C[5a]){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]N[5a]N)(N[5]C[5,6a]C)(O){1|N<2>,3|C<3>}	106.3970	0.000	1	107.5905	2.849	2	107.5905	2.849	2	107.4472	0.977	4	110.5498	7.044	29	110.2573	6.676	47
474	813	818	0:SP3_SP2_SP2	C[5]	N[5a]	C[5]	3:3:3:3:	4:3:2:	4:3:1:	C[5,6a]-3:N[5a]-3:C[5]-3:N-3:	C[5]-4:C[5a]-3:N[5a]-2:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(NCH)	N[5a](C[5]C[5,6a]C[5]N)(C[5a]N[5a]H)(N[5a]C[5a])	C[5](C[5]C[5,6a]N[5a]N)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(NCH){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5]C[5,6a]C[5]N)(C[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]N[5a]N)(N[5]C[5,6a]C)(O){1|N<2>,3|C<3>}	108.7840	0.000	1	107.5905	2.849	2	107.5905	2.849	2	107.4472	0.977	4	110.5498	7.044	29	110.2573	6.676	47
474	813	818	0:SP3_SP2_SP2	C[5]	N[5a]	C[5]	3:3:3:3:	4:3:2:	4:3:1:	C[5,6a]-3:N[5a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5a]-3:N[5a]-2:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]N[5]O)	N[5a](C[5]C[5,6a]C[6a]C[5])(C[5a]C[5a]H)(N[5a]C[5a])	C[5](C[5]C[5,6a]C[6a]N[5a])(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,4|H<1>,6|C<3>}	N[5a](C[5]C[5,6a]C[6a]C[5])(C[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]N[5a])(N[5]C[5,6a]C)(O){1|N<2>,5|C<3>}	107.3040	0.000	1	107.3040	0.000	1	107.3040	0.000	1	107.4472	0.977	4	110.5498	7.044	29	110.2573	6.676	47
474	813	818	0:SP3_SP2_SP2	C[5]	N[5a]	C[5]	3:3:3:4:	4:3:2:	4:3:1:	C[5,6a]-3:N[5a]-3:C[5]-3:C-4:	C[5]-4:C[5a]-3:N[5a]-2:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]CH)	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a])	C[5](C[5]C[5,6a]N[5a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]CH){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]N[5a]C)(N[5]C[5,6a]C)(O){1|N<2>,3|C<3>}	108.4410	0.873	2	108.4410	0.761	2	108.4410	0.761	2	108.4410	0.761	2	110.5498	7.044	29	110.2573	6.676	47
474	813	818	0:SP3_SP2_SP2	C[5]	N[5a]	C[5]	3:3:3:4:	4:3:3:	4:3:1:	C[5,6a]-3:N[5a]-3:C[5]-3:C-4:	C[5]-4:C[5a]-3:C[5a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]2)(C[5]N[5]O)(CCHH)	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]C)(C[5a]C[5a]H)	C[5](C[5]C[5,6a]N[5a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]2)(C[5]N[5]O)(CCHH){2|C<4>,2|H<1>,4|C<3>}	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]C)(C[5a]C[5a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]N[5a]C)(N[5]C[5,6a]C)(O){4|C<3>}	110.2260	0.000	1	110.2260	0.000	1	109.5685	0.865	2	108.3522	2.833	4	110.5498	7.044	29	110.2573	6.676	47
474	813	818	0:SP3_SP2_SP2	C[5]	N[5a]	C[5]	3:3:3:4:	4:3:3:	4:3:1:	C[5,6a]-3:N[5a]-3:C[5]-3:C-4:	C[5]-4:C[5a]-3:C[5a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]2)(C[5]N[5]O)(CN[5]CH)	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)2	C[5](C[5]C[5,6a]N[5a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]2)(C[5]N[5]O)(CN[5]CH){1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]N[5a]C)(N[5]C[5,6a]C)(O){4|C<3>}	108.9110	0.000	1	108.9110	0.000	1	109.5685	0.865	2	108.3522	2.833	4	110.5498	7.044	29	110.2573	6.676	47
474	813	818	0:SP3_SP2_SP2	C[5]	N[5a]	C[5]	3:3:3:4:	4:3:3:	4:3:1:	C[5,6a]-3:N[5a]-3:C[5]-3:C-4:	C[5]-4:C[5a]-3:N[5a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]CH)	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5](C[5]C[5,6a]N[5a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]CH){1|C<4>,3|H<1>,4|C<3>}	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[5](C[5]C[5,6a]N[5a]C)(N[5]C[5,6a]C)(O){1|N<3>,3|C<3>}	108.0630	0.000	1	108.0630	0.000	1	107.1360	1.719	2	108.3522	2.833	4	110.5498	7.044	29	110.2573	6.676	47
474	813	818	0:SP3_SP2_SP2	C[5]	N[5a]	C[5]	3:3:3:4:	4:3:3:	4:3:1:	C[5,6a]-3:N[5a]-3:C[5]-3:C-4:	C[5]-4:C[5a]-3:N[5a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]CH)	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5](C[5]C[5,6a]N[5a]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]CH){4|C<3>,4|H<1>}	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[5](C[5]C[5,6a]N[5a]C)(N[5]C[5,6a]H)(O){1|N<3>,3|C<3>}	106.2090	0.000	1	106.2090	0.000	1	107.1360	1.719	2	108.3522	2.833	4	110.5498	7.044	29	110.2573	6.676	47
474	813	818	0:SP3_SP2_SP2	C[5]	N[5a]	C[5]	3:3:4:3:	4:3:2:	4:4:1:	N[5a]-3:N[5a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5a]-3:N[5a]-2:	C[5]-4:C[5]-4:O-1:	C[5](N[5a]C[5a]N[5a])2(C[5]C[5]HO)(C[5]C[5]O)	N[5a](C[5]N[5a]C[5]2)(C[5a]C[5a]H)(N[5a]C[5a])	C[5](C[5]N[5a]2C[5])(C[5]C[5]HH)(O)	C[5](N[5a]C[5a]N[5a])2(C[5]C[5]HO)(C[5]C[5]O){4|C<3>,6|H<1>}	N[5a](C[5]N[5a]C[5]2)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]N[5a]2C[5])(C[5]C[5]HH)(O){1|O<2>,2|C<3>,2|N<2>,3|H<1>}	109.6830	2.981	2	109.6830	8.887	2	109.6830	8.887	2	109.6830	8.887	2	110.5498	7.044	29	110.2573	6.676	47
474	813	818	0:SP3_SP2_SP2	C[5]	N[5a]	C[5]	3:4:3:1:	3:3:4:	4:3:1:	N[5a]-3:C[5]-4:C[5]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:C[5]-3:H-1:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5](C[5]N[5a]C[5]H)(C[5]C[5]H)(H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]H)(H){1|C<3>,1|C<4>,2|N<2>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]N[5a]C[5]H)(C[5]C[5]H)(H){1|C<4>,2|C<3>,3|H<1>}	111.7520	0.000	1	111.1245	0.788	2	111.1245	0.788	2	111.1245	0.788	2	110.5498	7.044	29	110.2573	6.676	47
474	813	818	0:SP3_SP2_SP2	C[5]	N[5a]	C[5]	3:4:3:1:	3:3:4:	4:3:1:	N[5a]-3:C[5]-4:C[5]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:C[5]-3:H-1:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5](C[5]N[5a]C[5]H)(C[5]C[5]H)(H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]H)(H){1|C<3>,1|O<2>,2|N<2>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]N[5a]C[5]H)(C[5]C[5]H)(H){1|O<2>,2|C<3>,3|H<1>}	110.4970	0.000	1	111.1245	0.788	2	111.1245	0.788	2	111.1245	0.788	2	110.5498	7.044	29	110.2573	6.676	47
474	813	818	0:SP3_SP2_SP2	C[5]	N[5a]	C[5]	3:4:3:1:	3:3:4:	4:3:3:	N[5a]-3:C[5]-4:C[5]-3:H-1:	C[5a]-3:C[5a]-3:C[5]-4:	C[5]-4:C[5]-3:C-3:	C[5](N[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[5]C[5]2H)	C[5](C[5]N[5a]C[5]H)(C[5]C[5]O)(CCH)	C[5](N[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]C)(H){1|O<1>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[5]C[5]2H){1|C<4>,1|S<2>,2|C<3>,3|H<1>}	C[5](C[5]N[5a]C[5]H)(C[5]C[5]O)(CCH){2|C<3>,4|H<1>}	113.3210	0.000	1	113.3210	0.000	1	113.3210	0.000	1	113.3210	0.000	1	110.5498	7.044	29	110.2573	6.676	47
474	813	818	0:SP3_SP2_SP2	C[5]	N[5a]	C[5]	3:4:3:1:	3:3:4:	4:4:3:	N[5a]-3:C[5]-4:C[5]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:C[5]-4:C-3:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]C)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)(CHH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)(CHH){1|O<2>,2|C<3>,3|H<1>}	113.3450	1.875	2	113.3450	3.517	2	112.7443	3.130	4	112.7443	3.130	4	110.5498	7.044	29	110.2573	6.676	47
474	813	818	0:SP3_SP2_SP2	C[5]	N[5a]	C[5]	3:4:3:1:	3:3:4:	4:4:3:	N[5a]-3:C[5]-4:C[5]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:C[5]-4:C-3:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(C[5]C[5]C)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[5]C[5]2H)	C[5](C[5]N[5a]C[5]H)(C[5]C[5]CC)(CHH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(C[5]C[5]C)(H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[5]C[5]2H){1|Cl<1>,1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5](C[5]N[5a]C[5]H)(C[5]C[5]CC)(CHH){2|C<3>,2|H<1>,2|O<2>}	113.6320	0.000	1	113.6320	0.000	1	112.7443	3.130	4	112.7443	3.130	4	110.5498	7.044	29	110.2573	6.676	47
474	813	818	0:SP3_SP2_SP2	C[5]	N[5a]	C[5]	3:4:3:1:	3:3:4:	4:4:3:	N[5a]-3:C[5]-4:C[5]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:C[5]-4:C-3:	C[5](N[5a]C[5a,6a]C[5a])(C[5]O[5]HH)(C[5]C[5]C)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5](C[5]N[5a]C[5]H)(C[5]O[5]CH)(CHH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]O[5]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]N[5a]C[5]H)(C[5]O[5]CH)(CHH){2|C<3>,2|H<1>}	110.6550	0.000	1	110.6550	0.000	1	112.7443	3.130	4	112.7443	3.130	4	110.5498	7.044	29	110.2573	6.676	47
474	813	818	0:SP3_SP2_SP2	C[5]	N[5a]	C[5]	3:4:3:3:	3:4:2:	3:4:1:	N[5a]-3:C[5]-4:C[5]-3:C-3:	C[5a]-3:C[5]-4:N[5a]-2:	C[5,6a]-3:C[5]-4:O-1:	C[5](N[5a]C[5a]N[5a])(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(COO)	N[5a](C[5a]C[5a]H)(C[5]C[5]2C)(N[5a]N[5a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5]C)(O)	C[5](N[5a]C[5a]N[5a])(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(COO){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5]C[5]2C)(N[5a]N[5a]){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5]C)(O){1|N<2>,3|C<3>,3|H<1>}	110.8000	0.000	1	110.8000	0.000	1	110.8000	0.000	1	110.8000	0.000	1	110.5498	7.044	29	110.2573	6.676	47
474	813	818	0:SP3_SP2_SP2	C[5]	N[5a]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-4:N[5a]-3:C[5]-3:	C[5]-4:C[5a]-3:C[5a]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(N[5a]C[5a]2)(C[5]N[5]O)	N[5a](C[5]C[5,6a]C[5]2)(C[5a]C[5a]H)2	C[5](C[5]C[5,6a]N[5a]C[5])(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(N[5a]C[5a]2)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<2>,4|H<1>,6|C<3>}	N[5a](C[5]C[5,6a]C[5]2)(C[5a]C[5a]H)2{1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]N[5a]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	108.3960	0.371	2	108.3960	0.137	2	108.3960	0.137	2	108.3960	0.137	2	110.5498	7.044	29	110.2573	6.676	47
474	813	818	0:SP3_SP2_SP2	C[5]	N[5a]	C[5]	4:3:3:1:	4:2:2:	4:2:1:	C[5,5]-4:N[5a]-3:C[5]-3:H-1:	C[5]-4:N[5a]-2:N[5a]-2:	C[5]-4:O[5]-2:O-1:	C[5](C[5,5]C[5]N[5]O[5])(N[5a]N[5a]2)(C[5]O[5]O)(H)	N[5a](C[5]C[5,5]C[5]H)(N[5a]C[5a])2	C[5](C[5]C[5,5]N[5a]H)(O[5]C[5])(O)	C[5](C[5,5]C[5]N[5]O[5])(N[5a]N[5a]2)(C[5]O[5]O)(H){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5]C[5,5]C[5]H)(N[5a]C[5a])2{1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|O<2>}	C[5](C[5]C[5,5]N[5a]H)(O[5]C[5])(O){1|O<2>,2|H<1>,3|N<2>}	115.0960	0.000	1	115.0960	0.000	1	115.0960	0.000	1	115.0960	0.000	1	110.5498	7.044	29	110.2573	6.676	47
474	813	818	0:SP3_SP2_SP3	C[5,6]	N[5a,6]	C[5]	3:3:3:2:	3:4:3:	4:3:1:	N[5a,6]-3:C[5,6a]-3:C[5]-3:O[6]-2:	C[5a,6,6a]-3:C[5,6]-4:C[5a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](N[5a,6]C[5a,6,6a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[6]C[6])	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6a]C[5]O[6])(C[5a]C[5a]H)	C[5](C[5,6]C[5,6a]N[5a,6]O[6])(N[5]C[5,6a]C)(O)	C[5,6](N[5a,6]C[5a,6,6a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[6]C[6]){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6a]C[5]O[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,6]C[5,6a]N[5a,6]O[6])(N[5]C[5,6a]C)(O){5|C<3>}	109.1550	0.000	1	109.1550	0.000	1	109.1550	0.000	1	109.1550	0.000	1	108.9290	0.102	2	108.9290	0.102	2
474	813	818	0:SP3_SP2_SP3	C[5,6]	N[5a,6]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:N[5a,6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6]CO)(C[5]N[5]O)	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)	C[5](C[5,6]C[5,6a]N[5a,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6]CO)(C[5]N[5]O){2|C<4>,4|C<3>,4|H<1>}	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[5](C[5,6]C[5,6a]N[5a,6]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,5|C<3>}	108.7030	0.000	1	108.7030	0.000	1	108.7030	0.000	1	108.7030	0.000	1	108.9290	0.102	2	108.9290	0.102	2
474	813	818	5:SP3_SP2_SP2	C[5,6]	N[5,5a]	C[5,6]	3:3:2:1:	4:3:3:	4:3:3:	N[5,5a]-3:C[5,6]-3:O[6]-2:H-1:	C[5,6]-4:C[5,5a]-3:C[5a]-3:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6](N[5,5a]C[5,5a]C[5a])(C[5,6]C[5]C[6])(O[6]C[6,6a])(H)	N[5,5a](C[5,6]C[5,6]O[6]H)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H)	C[5,6](C[5,6]N[5,5a]O[6]H)(C[5]C[5,5a]C[5a])(C[6]C[6,6a]O)	C[5,6](N[5,5a]C[5,5a]C[5a])(C[5,6]C[5]C[6])(O[6]C[6,6a])(H){1|H<1>,1|O<1>,5|C<3>}	N[5,5a](C[5,6]C[5,6]O[6]H)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H){2|H<1>,3|C<3>}	C[5,6](C[5,6]N[5,5a]O[6]H)(C[5]C[5,5a]C[5a])(C[6]C[6,6a]O){1|N<3>,5|C<3>}	102.2870	0.000	1	101.6693	0.291	3	101.6693	0.291	3	101.6693	0.291	3	101.6575	0.194	4	100.9318	2.239	39
474	813	818	5:SP3_SP2_SP2	C[5,6]	N[5,5a]	C[5,6]	3:3:2:1:	4:3:3:	4:3:3:	N[5,5a]-3:C[5,6]-3:O[6]-2:H-1:	C[5,6]-4:C[5,5a]-3:C[5a]-3:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6](N[5,5a]C[5,5a]C[5a])(C[5,6]C[5]C[6])(O[6]C[6,6a])(H)	N[5,5a](C[5,6]C[5,6]O[6]H)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H)	C[5,6](C[5,6]N[5,5a]O[6]H)(C[5]C[5,5a]C[5a])(C[6]C[6,6a]O)	C[5,6](N[5,5a]C[5,5a]C[5a])(C[5,6]C[5]C[6])(O[6]C[6,6a])(H){1|H<1>,1|O<2>,5|C<3>}	N[5,5a](C[5,6]C[5,6]O[6]H)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H){2|H<1>,3|C<3>}	C[5,6](C[5,6]N[5,5a]O[6]H)(C[5]C[5,5a]C[5a])(C[6]C[6,6a]O){1|N<3>,5|C<3>}	101.3605	0.095	2	101.6693	0.291	3	101.6693	0.291	3	101.6693	0.291	3	101.6575	0.194	4	100.9318	2.239	39
474	813	818	5:SP3_SP2_SP2	C[5,6]	N[5,5a]	C[5,6]	3:3:4:1:	3:4:3:	4:3:4:	N[5,5a]-3:C[5,6]-3:C[6]-4:H-1:	C[5a,6a]-3:C[5,6]-4:C[5,5a]-3:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,5a]C[5a]C[5])	C[5,6](C[5,6]N[5,5a]C[6]H)(C[5]C[5,5a]C)(C[6]C[6]HH)	C[5,6](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H){2|H<1>,3|C<3>,4|C<4>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,5a]C[5a]C[5]){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]N[5,5a]C[6]H)(C[5]C[5,5a]C)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	101.6220	0.000	1	101.6220	0.000	1	101.6220	0.000	1	101.6220	0.000	1	101.6575	0.194	4	100.9318	2.239	39
474	813	818	5:SP3_SP2_SP2	C[5]	N[5,5a]	C[5,5]	3:3:1:1:	3:4:3:	4:4:3:	N[5,5a]-3:C[5,5]-3:H-1:H-1:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5,5]-4:C[5]-4:C[5]-3:	C[5](N[5,5a]C[5,5a]C[5a])(C[5,5]C[5,5]C[5])(H)2	N[5,5a](C[5,5a]C[5,5]C[5a])(C[5]C[5,5]HH)(C[5a]C[5a]H)	C[5,5](C[5,5]C[5,5a]C[5]H)(C[5]N[5,5a]HH)(C[5]C[5]C)	C[5](N[5,5a]C[5,5a]C[5a])(C[5,5]C[5,5]C[5])(H)2{2|C<4>,2|H<1>,3|C<3>}	N[5,5a](C[5,5a]C[5,5]C[5a])(C[5]C[5,5]HH)(C[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,5a]C[5]H)(C[5]N[5,5a]HH)(C[5]C[5]C){1|C<2>,2|H<1>,3|C<3>}	99.6110	0.121	4	99.6110	0.015	4	99.6110	0.015	4	99.6110	0.015	4	99.6110	0.015	4	100.9318	2.239	39
474	813	818	5:SP3_SP2_SP2	C[5]	N[5,5a]	C[5]	3:3:1:1:	3:3:4:	4:2:3:	N[5,5a]-3:C[5]-3:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:S[5]-2:C-3:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]S[5]C)(H)2	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5]C[5]HH)	C[5](C[5]N[5,5a]HH)(S[5]C[5,5a])(CHH)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]S[5]C)(H)2{1|N<2>,2|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5]C[5]HH){1|H<1>,3|C<3>}	C[5](C[5]N[5,5a]HH)(S[5]C[5,5a])(CHH){1|C<3>,1|N<2>}	105.4455	0.028	2	105.4455	0.001	2	105.4455	0.001	2	105.4455	0.001	2	101.5961	4.228	15	100.9318	2.239	39
474	813	818	5:SP3_SP2_SP2	C[5]	N[5,5a]	C[5]	3:3:1:1:	3:3:4:	4:3:1:	N[5,5a]-3:C[5]-3:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:C[5]-3:H-1:	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]H)(H)2	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH)	C[5](C[5]N[5,5a]HH)(C[5]C[5,5a]H)(H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]H)(H)2{1|H<1>,3|C<3>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]N[5,5a]HH)(C[5]C[5,5a]H)(H){2|C<3>}	100.9710	0.000	1	100.9710	0.000	1	101.4817	0.633	3	101.4817	0.633	3	101.5961	4.228	15	100.9318	2.239	39
474	813	818	5:SP3_SP2_SP2	C[5]	N[5,5a]	C[5]	3:3:1:1:	3:3:4:	4:3:1:	N[5,5a]-3:C[5]-3:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:C[5]-3:H-1:	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]H)(H)2	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH)	C[5](C[5]N[5,5a]HH)(C[5]C[5,5a]H)(H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]H)(H)2{2|C<3>,2|H<1>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH){1|S<3>,3|H<1>}	C[5](C[5]N[5,5a]HH)(C[5]C[5,5a]H)(H){2|C<3>}	101.7370	0.935	2	101.7370	0.874	2	101.4817	0.633	3	101.4817	0.633	3	101.5961	4.228	15	100.9318	2.239	39
474	813	818	5:SP3_SP2_SP2	C[5]	N[5,5a]	C[5]	3:3:1:1:	3:3:4:	4:3:3:	N[5,5a]-3:C[5]-3:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:C[5]-3:C-3:	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]C)(H)2	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH)	C[5](C[5]N[5,5a]HH)(C[5]C[5,5a]O)(CC[5a]H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]C)(H)2{1|H<1>,1|O<1>,2|C<3>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH){1|C<3>,1|O<1>,2|H<1>}	C[5](C[5]N[5,5a]HH)(C[5]C[5,5a]O)(CC[5a]H){2|C<3>}	101.3230	0.000	1	101.3230	0.000	1	101.3230	0.000	1	101.3230	0.000	1	101.5961	4.228	15	100.9318	2.239	39
474	813	818	5:SP3_SP2_SP2	C[5]	N[5,5a]	C[5]	3:3:3:1:	3:3:4:	4:3:3:	N[5,5a]-3:C[5]-3:C-3:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:C[5]-3:C-3:	C[5](N[5,5a]N[5,5a]C[5a])(C[5]C[5]C)(COO)(H)	N[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]CH)	C[5](C[5]N[5,5a]CH)(C[5]N[5,5a]N)(COO)	C[5](N[5,5a]N[5,5a]C[5a])(C[5]C[5]C)(COO)(H){1|N<3>,3|C<3>}	N[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]CH){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5]N[5,5a]CH)(C[5]N[5,5a]N)(COO){2|C<3>}	100.8380	0.000	1	100.8380	0.000	1	100.8380	0.000	1	100.8380	0.000	1	101.5961	4.228	15	100.9318	2.239	39
474	813	818	5:SP3_SP2_SP2	C[5]	N[5,5a]	C[5]	3:3:3:1:	3:3:4:	4:4:3:	N[5,5a]-3:C[6a]-3:C[5]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:C[5]-4:C-3:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[6a]C[5]H)	C[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]HH)(CHN)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]C)(H){4|H<1>,5|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[6a]C[5]H){3|H<1>,6|C<3>}	C[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]HH)(CHN){4|C<3>}	100.5396	0.574	5	100.5396	0.329	5	100.5396	0.329	5	100.5396	0.329	5	101.5961	4.228	15	100.9318	2.239	39
474	813	818	5:SP3_SP2_SP2	C[5]	N[5,5a]	C[5]	3:3:3:2:	3:4:2:	4:2:3:	N[5,5a]-3:C[6a]-3:C[5]-3:O-2:	C[5,5a]-3:C[5]-4:N[5a]-2:	C[5]-4:S[5]-2:C-3:	C[5](N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]S[5]C)(OH)	N[5,5a](C[5,5a]N[5a]S[5])(C[5]C[6a]C[5]O)(N[5a]C[5a])	C[5](C[5]N[5,5a]C[6a]O)(S[5]C[5,5a])(CCH)	C[5](N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]S[5]C)(OH){1|N<2>,2|H<1>,3|C<3>}	N[5,5a](C[5,5a]N[5a]S[5])(C[5]C[6a]C[5]O)(N[5a]C[5a]){4|C<3>}	C[5](C[5]N[5,5a]C[6a]O)(S[5]C[5,5a])(CCH){2|C<3>,2|N<2>}	102.9770	1.553	2	102.9770	2.411	2	102.9770	2.411	2	102.9770	2.411	2	101.5961	4.228	15	100.9318	2.239	39
474	813	818	5:SP3_SP2_SP2	C[5]	N[5,5a]	C[5]	3:3:3:3:	3:4:2:	4:2:2:	N[5,5a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5,5a]-3:C[5]-4:N[5a]-2:	C[5]-4:O[5]-2:N-2:	C[5](N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)2(C[5]O[5]N)	N[5,5a](C[5,5a]C[5a]O[5])(C[5]C[6a]2C[5])(N[5a]C[5a])	C[5](C[5]N[5,5a]C[6a]2)(O[5]C[5,5a])(NC[3x6])	C[5](N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)2(C[5]O[5]N){4|H<1>,6|C<3>}	N[5,5a](C[5,5a]C[5a]O[5])(C[5]C[6a]2C[5])(N[5a]C[5a]){1|N<2>,6|C<3>}	C[5](C[5]N[5,5a]C[6a]2)(O[5]C[5,5a])(NC[3x6]){1|N<2>,5|C<3>}	97.7919	0.000	1	97.7919	0.000	1	97.7919	0.000	1	97.7919	0.000	1	101.5961	4.228	15	100.9318	2.239	39
474	813	818	5:SP3_SP2_SP2	C[5]	N[5,6a]	C[5,6]	3:3:1:1:	3:3:4:	3:4:3:	N[5,6a]-3:C[5,6]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6]-3:C[5]-4:C[6]-3:	C[5](N[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H)2	N[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6,6a]O)(C[5]C[5,6]HH)	C[5,6](C[5,6]C[5,6a]N[6])(C[5]N[5,6a]HH)(C[6]C[6,6a]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6,6a]O)(C[5]C[5,6]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[5,6]C[5,6a]N[6])(C[5]N[5,6a]HH)(C[6]C[6,6a]H){1|O<1>,4|C<3>}	101.0115	1.232	2	101.0115	1.519	2	101.0115	1.519	2	101.0115	1.519	2	100.2406	0.497	8	100.9318	2.239	39
474	813	818	5:SP3_SP2_SP2	C[5]	N[5,6a]	C[5,6]	3:3:3:1:	3:4:3:	4:3:3:	N[5,6a]-3:C[5,6]-3:C[6a]-3:H-1:	N[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5,6]-3:C[6]-3:	C[5](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H)	N[5,6a](N[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a,6a]O)	C[5,6](C[5]N[5,6a]C[6a]H)(C[5,6]N[5,6a]C[6])(C[6]C[6]O)	C[5](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,2|C<4>,2|O<1>,4|C<3>}	N[5,6a](N[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a,6a]O){1|C<4>,1|O<1>,5|C<3>}	C[5,6](C[5]N[5,6a]C[6a]H)(C[5,6]N[5,6a]C[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	100.1020	0.000	1	99.9072	0.051	5	99.9072	0.051	5	99.9072	0.051	5	100.2406	0.497	8	100.9318	2.239	39
474	813	818	5:SP3_SP2_SP2	C[5]	N[5,6a]	C[5,6]	3:3:3:1:	3:4:3:	4:3:3:	N[5,6a]-3:C[5,6]-3:C[6a]-3:H-1:	N[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5,6]-3:C[6]-3:	C[5](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H)	N[5,6a](N[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a,6a]O)	C[5,6](C[5]N[5,6a]C[6a]H)(C[5,6]N[5,6a]C[6])(C[6]C[6]O)	C[5](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,2|O<1>,4|C<3>}	N[5,6a](N[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a,6a]O){1|C<4>,1|O<1>,5|C<3>}	C[5,6](C[5]N[5,6a]C[6a]H)(C[5,6]N[5,6a]C[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	99.8585	0.228	4	99.9072	0.051	5	99.9072	0.051	5	99.9072	0.051	5	100.2406	0.497	8	100.9318	2.239	39
474	813	818	5:SP3_SP2_SP2	C[5]	N[5,6a]	C[5,6]	3:3:3:1:	3:4:3:	4:3:4:	N[5,6a]-3:C[5,6]-3:C[6a]-3:H-1:	N[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5,6]-3:C[6]-4:	C[5](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H)	N[5,6a](N[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a,6a]O)	C[5,6](C[5]N[5,6a]C[6a]H)(C[5,6]N[5,6a]C[6])(C[6]C[6a]C[6]H)	C[5](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	N[5,6a](N[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a,6a]O){1|O<1>,2|C<4>,4|C<3>}	C[5,6](C[5]N[5,6a]C[6a]H)(C[5,6]N[5,6a]C[6])(C[6]C[6a]C[6]H){1|C<4>,3|H<1>,7|C<3>}	100.3660	0.000	1	100.3660	0.000	1	100.3660	0.000	1	100.3660	0.000	1	100.2406	0.497	8	100.9318	2.239	39
474	813	818	5:SP3_SP2_SP2	C[5]	N[5,6a]	C[5]	3:3:3:1:	3:4:3:	4:3:3:	N[5,6a]-3:C[6a]-3:C[5]-3:H-1:	N[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-3:C-3:	C[5](N[5,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	N[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a,6a]O)	C[5](C[5]N[5,6a]C[6a]H)(C[5]N[5,6a]C)(CCO)	C[5](N[5,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a,6a]O){1|C<4>,1|O<1>,5|C<3>}	C[5](C[5]N[5,6a]C[6a]H)(C[5]N[5,6a]C)(CCO){4|C<3>}	100.5380	0.085	2	100.5380	0.007	2	100.4493	0.027	3	100.4493	0.027	3	100.6749	0.248	8	100.9318	2.239	39
474	813	818	5:SP3_SP2_SP2	C[5]	N[5,6a]	C[5]	3:3:3:1:	3:4:3:	4:3:3:	N[5,6a]-3:C[6a]-3:C[5]-3:H-1:	N[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-3:C-3:	C[5](N[5,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	N[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a,6a]O)	C[5](C[5]N[5,6a]C[6a]H)(C[5]N[5,6a]N)(COO)	C[5](N[5,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	N[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a,6a]O){1|N<3>,1|O<1>,5|C<3>}	C[5](C[5]N[5,6a]C[6a]H)(C[5]N[5,6a]N)(COO){4|C<3>}	100.2720	0.000	1	100.2720	0.000	1	100.4493	0.027	3	100.4493	0.027	3	100.6749	0.248	8	100.9318	2.239	39
474	813	818	5:SP3_SP2_SP2	C[5]	N[5,6a]	C[5]	3:3:4:1:	3:3:4:	3:4:1:	N[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:O-1:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(H)	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5a,6a]O)(C[5]C[5]CH)	C[5](N[5]C[5,6a]C[6a])(C[5]N[5,6a]CH)(O)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(H){1|N<2>,1|O<1>,2|C<3>}	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5a,6a]O)(C[5]C[5]CH){1|O<1>,1|O<2>,2|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]N[5,6a]CH)(O){1|N<2>,3|C<3>}	101.5040	0.000	1	101.5040	0.000	1	101.4640	0.003	2	101.4640	0.003	2	100.6749	0.248	8	100.9318	2.239	39
474	813	818	5:SP3_SP2_SP2	C[5]	N[5,6a]	C[5]	3:3:4:1:	3:3:4:	3:4:1:	N[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:O-1:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(H)	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5a,6a]O)(C[5]C[5]CH)	C[5](N[5]C[5,6a]C[6a])(C[5]N[5,6a]CH)(O)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(H){1|N<2>,1|O<1>,2|C<3>}	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5a,6a]O)(C[5]C[5]CH){1|O<1>,1|S<2>,2|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]N[5,6a]CH)(O){1|N<2>,3|C<3>}	101.4240	0.000	1	101.4240	0.000	1	101.4640	0.003	2	101.4640	0.003	2	100.6749	0.248	8	100.9318	2.239	39
474	813	818	5:SP3_SP2_SP2	C[5]	N[5,6a]	C[5]	3:3:4:4:	3:3:4:	3:3:4:	N[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[6a]-3:C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CH3)2	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]CC)	C[5](C[5]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5,6a]CC)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CH3)2{1|N<2>,1|O<1>,4|C<3>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]CC){1|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5,6a]CC){1|H<1>,6|C<3>}	100.3090	0.000	1	100.3090	0.000	1	100.3743	0.005	3	100.3743	0.005	3	100.6749	0.248	8	100.9318	2.239	39
474	813	818	5:SP3_SP2_SP2	C[5]	N[5,6a]	C[5]	3:3:4:4:	3:3:4:	3:3:4:	N[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-3:C[6a]-3:C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CH3)2	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CC)	C[5](C[5]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5,6a]CC)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CH3)2{1|N<2>,1|O<1>,4|C<3>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CC){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5,6a]CC){1|H<1>,6|C<3>}	100.4070	0.052	2	100.4070	0.003	2	100.3743	0.005	3	100.3743	0.005	3	100.6749	0.248	8	100.9318	2.239	39
474	813	818	5:SP3_SP2_SP3	C[5,5]	N[5,5a]	C[5,5]	3:4:3:1:	4:3:3:	4:4:3:	N[5,5a]-3:C[5,5,6]-4:C[5,5]-3:H-1:	C[5,5]-4:N[5,5a]-3:C[5a]-3:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5](N[5,5a]N[5,5a]C[5a])(C[5,5,6]C[5,5,6]2H)(C[5,5]C[5]2)(H)	N[5,5a](C[5,5]C[5,5,6]C[5,5]H)(N[5,5a]C[5a]C[5])(C[5a]N[5a]O)	C[5,5](C[5,5]C[5,5,6]N[5,5a]H)(C[5]N[5,5a]C[6a]2)(C[5]C[5,5,6]H)	C[5,5](N[5,5a]N[5,5a]C[5a])(C[5,5,6]C[5,5,6]2H)(C[5,5]C[5]2)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	N[5,5a](C[5,5]C[5,5,6]C[5,5]H)(N[5,5a]C[5a]C[5])(C[5a]N[5a]O){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[5,5](C[5,5]C[5,5,6]N[5,5a]H)(C[5]N[5,5a]C[6a]2)(C[5]C[5,5,6]H){2|C<4>,2|H<1>,6|C<3>}	102.0280	0.000	1	102.0280	0.000	1	102.0280	0.000	1	102.0280	0.000	1	102.0280	0.000	1	99.6589	11.225	2
474	813	818	5:SP3_SP2_SP3	C[5]	N[5,5a]	C[5,5]	3:3:3:3:	3:4:3:	4:4:3:	N[5,5a]-3:C[5,5]-3:C[6a]-3:C[6a]-3:	N[5,5a]-3:C[5]-4:C[5a]-3:	C[5,5]-4:C[5]-4:C[5]-3:	C[5](N[5,5a]N[5,5a]C[5a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)2	N[5,5a](N[5,5a]C[5,5]C[5a])(C[5]C[5,5]C[6a]2)(C[5a]N[5a]O)	C[5,5](C[5,5]C[5,5,6]N[5,5a]H)(C[5]N[5,5a]C[6a]2)(C[5]C[5,5,6]H)	C[5](N[5,5a]N[5,5a]C[5a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)2{1|N<3>,1|O<1>,2|C<4>,5|C<3>,6|H<1>}	N[5,5a](N[5,5a]C[5,5]C[5a])(C[5]C[5,5]C[6a]2)(C[5a]N[5a]O){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	C[5,5](C[5,5]C[5,5,6]N[5,5a]H)(C[5]N[5,5a]C[6a]2)(C[5]C[5,5,6]H){2|C<4>,2|H<1>,6|C<3>}	97.2898	0.000	1	97.2898	0.000	1	97.2898	0.000	1	97.2898	0.000	1	97.2898	0.000	1	99.6589	11.225	2
474	813	818	6:SP3_SP2_SP2	C[5,6]	N[5a,6]	C[5,6]	3:3:3:2:	4:3:3:	4:3:3:	N[5a,6]-3:C[5,6]-3:C[5]-3:N[5]-2:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6]-4:N[5,6]-3:C[5]-3:	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]N[5,6]C[5])(C[5]N[5]N)(N[5]C[5])	N[5a,6](C[5,6]C[5,6]C[5]N[5])(C[5a,6]C[5a]C[6])(C[5a]C[5a]Br)	C[5,6](C[5,6]N[5a,6]C[5]N[5])(N[5,6]C[5]C[6])(C[5]C[5]H)	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]N[5,6]C[5])(C[5]N[5]N)(N[5]C[5]){1|Br<1>,1|H<1>,1|O<2>,2|C<4>,3|C<3>}	N[5a,6](C[5,6]C[5,6]C[5]N[5])(C[5a,6]C[5a]C[6])(C[5a]C[5a]Br){1|Br<1>,1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	C[5,6](C[5,6]N[5a,6]C[5]N[5])(N[5,6]C[5]C[6])(C[5]C[5]H){1|N<2>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	110.1965	0.308	2	110.1965	0.095	2	110.1965	0.095	2	110.1965	0.095	2	108.1080	5.849	4	108.1080	5.849	4
474	813	818	6:SP3_SP2_SP2	C[5,6]	N[5a,6]	C[5,6]	3:3:3:3:	4:3:3:	4:3:4:	C[5,6a]-3:N[5a,6]-3:C[5,6]-3:C[5]-3:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5])(C[5]C[5]H)	N[5a,6](C[5,6]C[5,6a]C[5,6]C[5])(N[5a,6]C[5a]C[6])(C[5a]N[5a]O)	C[5,6](C[5,6]C[5,6a]N[5a,6]C[5])(C[5,6]C[5]C[6])(C[5]O[5]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5])(C[5]C[5]H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	N[5a,6](C[5,6]C[5,6a]C[5,6]C[5])(N[5a,6]C[5a]C[6])(C[5a]N[5a]O){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[5,6](C[5,6]C[5,6a]N[5a,6]C[5])(C[5,6]C[5]C[6])(C[5]O[5]HH){1|N<3>,4|H<1>,5|C<3>}	106.0195	0.074	2	106.0195	0.006	2	106.0195	0.006	2	106.0195	0.006	2	108.1080	5.849	4	108.1080	5.849	4
474	813	818	6:SP3_SP2_SP3	C[5,6]	N[5a,6]	C[5,6]	3:3:3:4:	4:3:3:	3:4:3:	N[5a,6]-3:C[5,6]-3:N[5]-3:C-4:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6](N[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6a]C[6])(N[5]C[5,6a]C)(CHHN)	N[5a,6](C[5,6]C[5,6]N[5]C)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5a,6]N[5]C)(C[6]C[6]H)	C[5,6](N[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6a]C[6])(N[5]C[5,6a]C)(CHHN){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[5a,6](C[5,6]C[5,6]N[5]C)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O){1|O<1>,2|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5a,6]N[5]C)(C[6]C[6]H){1|N<3>,3|H<1>,4|C<3>}	107.1970	0.000	1	107.1970	0.000	1	107.1970	0.000	1	107.1970	0.000	1	107.1970	0.000	1	107.1970	0.000	1
474	813	856	6:SP3_SP2_SP3	C[5,6]	N[5a,6]	N[6]	3:3:3:3:	4:3:3:	4:4:1:	N[5a,6]-3:C[5,6a]-3:C[5]-3:N[6]-3:	C[5,6]-4:C[5a,6a]-3:C[5a,6]-3:	C[5,6]-4:C[6]-4:H-1:	C[5,6](N[5a,6]C[5a,6a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[6]C[6]H)	N[5a,6](C[5,6]C[5,6a]C[5]N[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])	N[6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6]C[6]CC)(H)	C[5,6](N[5a,6]C[5a,6a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[6]C[6]H){1|H<1>,2|C<4>,7|C<3>}	N[5a,6](C[5,6]C[5,6a]C[5]N[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6]){1|N<3>,1|O<1>,2|C<4>,3|H<1>,5|C<3>}	N[6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6]C[6]CC)(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	110.7890	0.000	1	110.7890	0.000	1	110.7890	0.000	1	110.7890	0.000	1	110.7890	0.000	1	110.7890	0.000	1
474	813	891	0:SP3_SP2_SP3	C[5]	N[5a]	S[5]	3:2:2:1:	3:3:4:	4:4:	N[5a]-3:S[5]-2:S[5]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(S[5]C[5])2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]S[5]2H)	S[5](C[5]N[5a]S[5]H)(C[5]C[5]HH)	C[5](N[5a]C[5a,6a]C[5a])(S[5]C[5])2(H){1|N<2>,2|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]S[5]2H){1|H<1>,2|C<3>,2|C<4>}	S[5](C[5]N[5a]S[5]H)(C[5]C[5]HH){2|C<3>,2|H<1>}	113.0830	1.829	2	113.0830	3.344	2	113.0830	3.344	2	113.0830	3.344	2	113.0830	3.344	2	113.0830	3.344	2
474	813	891	5:SP3_SP2_SP2	C[5]	N[5,5a]	S[5]	3:3:2:1:	3:4:3:	4:3:	N[5,5a]-3:C[6a]-3:S[5]-2:H-1:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5]-4:C[5]-3:	C[5](N[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(S[5]C[5])(H)	N[5,5a](C[5,5a]N[5a]C[5])(C[5]C[6a]S[5]H)(C[5a]C[5a]N)	S[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]N)	C[5](N[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(S[5]C[5])(H){2|H<1>,3|C<3>,3|N<2>}	N[5,5a](C[5,5a]N[5a]C[5])(C[5]C[6a]S[5]H)(C[5a]C[5a]N){1|N<2>,3|C<3>}	S[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]N){1|N<2>,3|C<3>}	103.4670	0.000	1	103.4670	0.000	1	103.4670	0.000	1	103.4670	0.000	1	103.4670	0.000	1	103.4670	0.000	1
474	813	891	5:SP3_SP2_SP3	C[5]	N[5,5a]	S[5]	3:3:2:1:	3:3:4:	4:4:	N[5,5a]-3:C[6a]-3:S[5]-2:H-1:	C[5,5a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5,5a]C[5,5a]2)(C[6a]C[6a]2)(S[5]C[5])(H)	N[5,5a](C[5,5a]C[5,5a]C[5])(C[5,5a]C[5a]C[5])(C[5]C[6a]S[5]H)	S[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]HH)	C[5](N[5,5a]C[5,5a]2)(C[6a]C[6a]2)(S[5]C[5])(H){1|C<4>,4|C<3>,4|H<1>}	N[5,5a](C[5,5a]C[5,5a]C[5])(C[5,5a]C[5a]C[5])(C[5]C[6a]S[5]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	S[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]HH){4|C<3>}	102.5810	0.000	1	102.5810	0.000	1	102.5810	0.000	1	102.8507	0.397	9	102.8507	0.397	9	102.8507	0.397	9
474	813	891	5:SP3_SP2_SP3	C[5]	N[5,5a]	S[5]	3:3:2:1:	3:3:4:	4:4:	N[5,5a]-3:C[6a]-3:S[5]-2:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]S[5]H)	S[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]HH)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H){1|Cl<1>,1|F<1>,1|N<2>,2|H<1>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]S[5]H){3|H<1>,4|C<3>}	S[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]HH){1|N<2>,3|C<3>}	103.4470	0.751	2	102.8844	0.442	8	102.8844	0.442	8	102.8507	0.397	9	102.8507	0.397	9	102.8507	0.397	9
474	813	891	5:SP3_SP2_SP3	C[5]	N[5,5a]	S[5]	3:3:2:1:	3:3:4:	4:4:	N[5,5a]-3:C[6a]-3:S[5]-2:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]S[5]H)	S[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]HH)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H){1|F<1>,1|N<2>,3|H<1>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]S[5]H){3|H<1>,4|C<3>}	S[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]HH){1|N<2>,3|C<3>}	102.4240	0.191	2	102.8844	0.442	8	102.8844	0.442	8	102.8507	0.397	9	102.8507	0.397	9	102.8507	0.397	9
474	813	891	5:SP3_SP2_SP3	C[5]	N[5,5a]	S[5]	3:3:2:1:	3:3:4:	4:4:	N[5,5a]-3:C[6a]-3:S[5]-2:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]S[5]H)	S[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]HH)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H){1|N<2>,2|F<1>,2|H<1>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]S[5]H){3|H<1>,4|C<3>}	S[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]HH){1|N<2>,3|C<3>}	102.1080	0.000	1	102.8844	0.442	8	102.8844	0.442	8	102.8507	0.397	9	102.8507	0.397	9	102.8507	0.397	9
474	813	891	5:SP3_SP2_SP3	C[5]	N[5,5a]	S[5]	3:3:2:1:	3:3:4:	4:4:	N[5,5a]-3:C[6a]-3:S[5]-2:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]S[5]H)	S[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]HH)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H){1|N<2>,4|C<3>,4|H<1>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]S[5]H){3|H<1>,4|C<3>}	S[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]HH){1|N<2>,3|C<3>}	102.4630	0.000	1	102.8844	0.442	8	102.8844	0.442	8	102.8507	0.397	9	102.8507	0.397	9	102.8507	0.397	9
474	813	891	5:SP3_SP2_SP3	C[5]	N[5,5a]	S[5]	3:3:2:1:	3:3:4:	4:4:	N[5,5a]-3:C[6a]-3:S[5]-2:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]S[5]H)	S[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]HH)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H){2|Cl<1>,1|N<2>,2|H<1>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]S[5]H){3|H<1>,4|C<3>}	S[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]HH){1|N<2>,3|C<3>}	103.3810	0.406	2	102.8844	0.442	8	102.8844	0.442	8	102.8507	0.397	9	102.8507	0.397	9	102.8507	0.397	9
474	813	893	0:SP3_SP2_SP3	C[5,5]	N[5,6a]	O	3:4:4:2:	4:3:3:	4:1:	N[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:H-1:	C[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(C[5]C[5]HH)(OH)	N[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)	O(C[5,5]N[5,6a]C[5,5]C[5])(H)	C[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(C[5]C[5]HH)(OH){2|C<3>,2|O<1>,4|H<1>}	N[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O){2|C<4>,4|C<3>,4|H<1>}	O(C[5,5]N[5,6a]C[5,5]C[5])(H)	110.2990	0.000	1	110.2990	0.000	1	110.2990	0.000	1	110.2990	0.000	1	110.2990	0.000	1	111.8685	0.643	8
474	813	893	0:SP3_SP2_SP3	C[5]	N[5,5a]	O	3:3:3:2:	3:4:2:	4:1:	N[5,5a]-3:C[6a]-3:C[5]-3:O-2:	C[5,5a]-3:C[5]-4:N[5a]-2:	C[5]-4:H-1:	C[5](N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]S[5]C)(OH)	N[5,5a](C[5,5a]N[5a]S[5])(C[5]C[6a]C[5]O)(N[5a]C[5a])	O(C[5]N[5,5a]C[6a]C[5])(H)	C[5](N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]S[5]C)(OH){1|N<2>,2|H<1>,3|C<3>}	N[5,5a](C[5,5a]N[5a]S[5])(C[5]C[6a]C[5]O)(N[5a]C[5a]){4|C<3>}	O(C[5]N[5,5a]C[6a]C[5])(H)	111.9090	0.569	2	111.9090	0.323	2	111.9090	0.323	2	111.9090	0.323	2	111.9090	0.323	2	111.8685	0.643	8
474	813	893	0:SP3_SP2_SP3	C[5]	N[5,6a]	O	3:3:3:2:	3:3:4:	4:1:	C[5,6a]-3:N[5,6a]-3:C-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(COO)(OH)	N[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CO)	O(C[5]C[5,6a]N[5,6a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(COO)(OH){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	N[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CO){4|C<3>}	O(C[5]C[5,6a]N[5,6a]C)(H)	112.5880	0.000	1	112.5880	0.000	1	112.5880	0.000	1	112.2470	0.087	3	112.1662	0.317	5	111.8685	0.643	8
474	813	893	0:SP3_SP2_SP3	C[5]	N[5,6a]	O	3:3:3:2:	3:3:4:	4:1:	C[5,6a]-3:N[5,6a]-3:C-3:O-2:	N[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]N[5,6a]C[6a])(COO)(OH)	N[5,6a](N[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CO)	O(C[5]C[5,6a]N[5,6a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]N[5,6a]C[6a])(COO)(OH){1|H<1>,1|O<1>,4|C<3>}	N[5,6a](N[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CO){1|O<1>,4|C<3>}	O(C[5]C[5,6a]N[5,6a]C)(H)	112.0765	0.019	2	112.0765	0.000	2	112.0765	0.000	2	112.2470	0.087	3	112.1662	0.317	5	111.8685	0.643	8
474	813	893	0:SP3_SP2_SP3	C[5]	N[5,6a]	O	3:3:4:2:	3:3:4:	4:4:	N[5,6a]-3:N[5]-3:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C-4:	C[5](N[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3)(OC)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]O)(C[5]N[5]CO)	O(C[5]N[5,6a]N[5]C)(CH3)	C[5](N[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3)(OC){2|C<3>,2|O<1>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]O)(C[5]N[5]CO){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	O(C[5]N[5,6a]N[5]C)(CH3)	112.7680	0.000	1	112.7680	0.000	1	112.7680	0.000	1	112.7680	0.000	1	112.1662	0.317	5	111.8685	0.643	8
474	813	893	0:SP3_SP2_SP3	C[5]	N[5,6a]	O	3:4:2:1:	3:3:4:	4:1:	N[5,6a]-3:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:H-1:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(OH)(H)	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5a,6a]O)(C[5]C[5]HO)	O(C[5]N[5,6a]C[5]H)(H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(OH)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5a,6a]O)(C[5]C[5]HO){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	O(C[5]N[5,6a]C[5]H)(H)	111.3220	0.000	1	111.3220	0.000	1	111.3220	0.000	1	111.3220	0.000	1	112.1662	0.317	5	111.8685	0.643	8
474	813	909	0:SP3_SP2_SP2	C[5]	N[5a]	S	3:3:3:2:	4:3:3:	4:3:	C[5,6a]-3:N[5a]-3:C[5]-3:S-2:	C[5]-4:C[5a]-3:C[5a]-3:	C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]2)(C[5]N[5]O)(SC[6a])	N[5a](C[5]C[5,6a]C[5]S)(C[5a]C[5a]H)2	S(C[5]C[5,6a]N[5a]C[5])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]2)(C[5]N[5]O)(SC[6a]){1|C<4>,3|H<1>,4|C<3>}	N[5a](C[5]C[5,6a]C[5]S)(C[5a]C[5a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	S(C[5]C[5,6a]N[5a]C[5])(C[6a]C[6a]2)	112.3365	0.241	2	112.3365	0.058	2	112.3365	0.058	2	112.3365	0.058	2	112.3365	0.058	2	112.3365	0.058	2
474	813	924	0:SP3_SP-NON_SP2	C[5,6,6]	N[5a,6,6]	Br	3:3:3:1:	3:3:4:	4:	C[5,6,6a]-3:C[5,6,6a]-3:N[5a,6,6]-3:Br-1:	C[5a,6,6]-3:C[5a,6,6]-3:C[5,6,6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(N[5a,6,6]C[5a,6,6]2)(Br)	N[5a,6,6](C[5a,6,6]C[5a,6,6]C[5,6,6])2(C[5,6,6]C[5,6,6a]2Br)	Br(C[5,6,6]C[5,6,6a]2N[5a,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(N[5a,6,6]C[5a,6,6]2)(Br){2|C<4>,6|C<3>}	N[5a,6,6](C[5a,6,6]C[5a,6,6]C[5,6,6])2(C[5,6,6]C[5,6,6a]2Br){2|C<4>,2|O<2>,6|C<3>}	Br(C[5,6,6]C[5,6,6a]2N[5a,6,6])	110.7490	0.000	1	110.7490	0.000	1	110.7490	0.000	1	110.7490	0.000	1	110.7490	0.000	1	110.7490	0.000	1
474	813	930	0:SP3_SP2_SP2	C[5,6]	N[5a,6]	C	3:3:3:3:	3:4:3:	4:2:1:	N[5a,6]-3:C[5,6a]-3:N[5,6]-3:C-3:	C[5a,6,6a]-3:C[5,6]-4:C[5a]-3:	C[5,6]-4:O-2:O-1:	C[5,6](N[5a,6]C[5a,6,6a]C[5a])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(COO)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6a]N[5,6]C)(C[5a]C[5a]H)	C(C[5,6]C[5,6a]N[5a,6]N[5,6])(OC)(O)	C[5,6](N[5a,6]C[5a,6,6a]C[5a])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(COO){2|H<1>,3|O<1>,5|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6a]N[5,6]C)(C[5a]C[5a]H){1|H<1>,1|S<4>,5|C<3>}	C(C[5,6]C[5,6a]N[5a,6]N[5,6])(OC)(O)	108.7420	0.000	1	108.7420	0.000	1	108.7420	0.000	1	108.7420	0.000	1	108.7420	0.000	1	110.3538	2.519	23
474	813	930	0:SP3_SP2_SP2	C[5]	N[5,5a]	C	3:2:3:1:	3:3:4:	4:3:1:	N[5,5a]-3:O[5]-2:C-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:C-3:H-1:	C[5](N[5,5a]C[5a,6a]C[5,5a])(O[5]C[5])(CCH)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]O[5]CH)	C(C[5]N[5,5a]O[5]H)(CC[6a]H)(H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(O[5]C[5])(CCH)(H){2|C<4>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]O[5]CH){2|C<3>,2|C<4>,2|H<1>}	C(C[5]N[5,5a]O[5]H)(CC[6a]H)(H)	113.8880	0.000	1	113.8880	0.000	1	113.8880	0.000	1	113.8880	0.000	1	111.2533	1.757	6	110.3538	2.519	23
474	813	930	0:SP3_SP2_SP2	C[5]	N[5,5a]	C	3:3:3:1:	3:3:4:	4:2:1:	N[5,5a]-3:C[5]-3:C-3:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:O-2:O-1:	C[5](N[5,5a]N[5,5a]C[5a])(C[5]C[5]C)(COO)(H)	N[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]CH)	C(C[5]N[5,5a]C[5]H)(OC)(O)	C[5](N[5,5a]N[5,5a]C[5a])(C[5]C[5]C)(COO)(H){1|N<3>,3|C<3>}	N[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]CH){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C(C[5]N[5,5a]C[5]H)(OC)(O)	111.1740	0.000	1	111.1740	0.000	1	111.1740	0.000	1	111.1740	0.000	1	111.2533	1.757	6	110.3538	2.519	23
474	813	930	0:SP3_SP2_SP2	C[5]	N[5,5a]	C	3:4:3:1:	3:3:4:	4:4:3:	N[5,5a]-3:C[5]-4:C-3:H-1:	C[5,5a,6a]-3:C[5a,6]-3:C[5]-4:	C[5]-4:C-4:C-3:	C[5](N[5,5a]C[5,5a,6a]C[5a,6])(C[5]C[5,6a]HH)(CCC)(H)	N[5,5a](C[5,5a,6a]C[5a,6a]C[5,6a])(C[5a,6]C[5a,6]C[6])(C[5]C[5]CH)	C(C[5]N[5,5a]C[5]H)(CH3)(CHH)	C[5](N[5,5a]C[5,5a,6a]C[5a,6])(C[5]C[5,6a]HH)(CCC)(H){1|C<4>,3|C<3>}	N[5,5a](C[5,5a,6a]C[5a,6a]C[5,6a])(C[5a,6]C[5a,6]C[6])(C[5]C[5]CH){1|C<4>,3|C<3>,4|H<1>}	C(C[5]N[5,5a]C[5]H)(CH3)(CHH)	110.6145	0.262	4	110.6145	0.068	4	110.6145	0.068	4	110.6145	0.068	4	111.2533	1.757	6	110.3538	2.519	23
474	813	930	0:SP3_SP2_SP2	C[5]	N[5,6a]	C	3:3:3:1:	3:3:4:	4:2:1:	C[5,6a]-3:N[5,6a]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:O-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(COO)(H)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CH)	C(C[5]C[5,6a]N[5,6a]H)(OC)(O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(COO)(H){1|H<1>,1|O<1>,4|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CH){5|C<3>}	C(C[5]C[5,6a]N[5,6a]H)(OC)(O)	113.0050	0.000	1	113.0050	0.000	1	113.0050	0.000	1	112.1570	1.438	2	110.4302	2.364	13	110.3538	2.519	23
474	813	930	0:SP3_SP2_SP2	C[5]	N[5,6a]	C	3:3:3:1:	3:3:4:	4:2:1:	C[5,6a]-3:N[5,6a]-3:C-3:H-1:	N[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:O-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]N[5,6a]C[6a])(COO)(H)	N[5,6a](N[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CH)	C(C[5]C[5,6a]N[5,6a]H)(OC)(O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]N[5,6a]C[6a])(COO)(H){1|H<1>,1|O<1>,4|C<3>}	N[5,6a](N[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CH){1|O<1>,4|C<3>}	C(C[5]C[5,6a]N[5,6a]H)(OC)(O)	111.3090	0.000	1	111.3090	0.000	1	111.3090	0.000	1	112.1570	1.438	2	110.4302	2.364	13	110.3538	2.519	23
474	813	930	0:SP3_SP2_SP2	C[5]	N[5,6a]	C	3:3:3:1:	3:4:3:	4:3:1:	C[5,6a]-3:N[5,6a]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(CNO)(H)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]O)	C(C[5]C[5,6a]N[5,6a]H)(NCH)(O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(CNO)(H){1|H<1>,1|O<1>,4|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	C(C[5]C[5,6a]N[5,6a]H)(NCH)(O)	110.4650	0.000	1	110.4650	0.000	1	110.4650	0.000	1	110.4650	0.000	1	110.4302	2.364	13	110.3538	2.519	23
474	813	930	0:SP3_SP2_SP2	C[5]	N[5,6a]	C	3:3:3:2:	3:3:4:	4:2:1:	C[5,6a]-3:N[5,6a]-3:C-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:O-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(COO)(OH)	N[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CO)	C(C[5]C[5,6a]N[5,6a]O)(OC)(O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(COO)(OH){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	N[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CO){4|C<3>}	C(C[5]C[5,6a]N[5,6a]O)(OC)(O)	110.0970	0.000	1	110.0970	0.000	1	110.0970	0.000	1	109.8713	0.906	3	110.4302	2.364	13	110.3538	2.519	23
474	813	930	0:SP3_SP2_SP2	C[5]	N[5,6a]	C	3:3:3:2:	3:3:4:	4:2:1:	C[5,6a]-3:N[5,6a]-3:C-3:O-2:	N[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:O-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]N[5,6a]C[6a])(COO)(OH)	N[5,6a](N[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CO)	C(C[5]C[5,6a]N[5,6a]O)(OC)(O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]N[5,6a]C[6a])(COO)(OH){1|H<1>,1|O<1>,4|C<3>}	N[5,6a](N[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CO){1|O<1>,4|C<3>}	C(C[5]C[5,6a]N[5,6a]O)(OC)(O)	109.7585	1.317	2	109.7585	1.735	2	109.7585	1.735	2	109.8713	0.906	3	110.4302	2.364	13	110.3538	2.519	23
474	813	930	0:SP3_SP2_SP2	C[5]	N[5,6a]	C	3:4:3:1:	3:3:4:	4:1:1:	N[5,6a]-3:C[5]-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:O-1:O-1:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(COO)(H)	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]CH)	C(C[5]N[5,6a]C[5]H)(O)2	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(COO)(H){1|O<1>,2|C<3>}	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]CH){1|C<3>,4|H<1>}	C(C[5]N[5,6a]C[5]H)(O)2	111.1320	0.000	1	111.1320	0.000	1	111.1320	0.000	1	111.1320	0.000	1	110.4302	2.364	13	110.3538	2.519	23
474	813	930	0:SP3_SP2_SP2	C[5]	N[5,6a]	C	3:4:3:1:	3:3:4:	4:2:1:	N[5,6a]-3:C[5]-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:O-2:O-1:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(COO)(H)	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]CH)	C(C[5]N[5,6a]C[5]H)(OC)(O)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(COO)(H){1|O<1>,2|C<3>}	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]CH){1|C<3>,1|N<2>,3|H<1>}	C(C[5]N[5,6a]C[5]H)(OC)(O)	112.8360	0.000	1	110.1587	5.381	3	110.0113	3.335	6	110.0113	3.335	6	110.4302	2.364	13	110.3538	2.519	23
474	813	930	0:SP3_SP2_SP2	C[5]	N[5,6a]	C	3:4:3:1:	3:3:4:	4:2:1:	N[5,6a]-3:C[5]-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:O-2:O-1:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(COO)(H)	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]CH)	C(C[5]N[5,6a]C[5]H)(OC)(O)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(COO)(H){1|O<1>,2|C<3>}	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]CH){1|C<3>,1|N<3>,3|H<1>}	C(C[5]N[5,6a]C[5]H)(OC)(O)	108.8890	0.000	1	110.1587	5.381	3	110.0113	3.335	6	110.0113	3.335	6	110.4302	2.364	13	110.3538	2.519	23
474	813	930	0:SP3_SP2_SP2	C[5]	N[5,6a]	C	3:4:3:1:	3:3:4:	4:2:1:	N[5,6a]-3:C[5]-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:O-2:O-1:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(COO)(H)	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]CH)	C(C[5]N[5,6a]C[5]H)(OC)(O)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(COO)(H){2|C<3>,2|O<1>}	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]CH){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C(C[5]N[5,6a]C[5]H)(OC)(O)	108.7510	0.000	1	110.1587	5.381	3	110.0113	3.335	6	110.0113	3.335	6	110.4302	2.364	13	110.3538	2.519	23
474	813	930	0:SP3_SP2_SP2	C[5]	N[5,6a]	C	3:4:3:1:	3:3:4:	4:2:1:	N[5,6a]-3:C[5]-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:O-2:O-1:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(COO)(H)	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]CH)	C(C[5]N[5,6a]C[5]H)(OH)(O)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(COO)(H){1|O<1>,2|C<3>}	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]CH){1|C<3>,4|H<1>}	C(C[5]N[5,6a]C[5]H)(OH)(O)	109.8640	1.701	3	109.8640	2.892	3	110.0113	3.335	6	110.0113	3.335	6	110.4302	2.364	13	110.3538	2.519	23
474	813	930	0:SP3_SP2_SP2	C[5]	N[5a]	C	3:4:3:3:	3:4:2:	4:2:1:	N[5a]-3:C[5]-4:C[5]-3:C-3:	C[5a]-3:C[5]-4:N[5a]-2:	C[5]-4:O-2:O-1:	C[5](N[5a]C[5a]N[5a])(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(COO)	N[5a](C[5a]C[5a]H)(C[5]C[5]2C)(N[5a]N[5a])	C(C[5]N[5a]C[5]2)(OC)(O)	C[5](N[5a]C[5a]N[5a])(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(COO){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5]C[5]2C)(N[5a]N[5a]){1|O<1>,2|H<1>,3|C<3>}	C(C[5]N[5a]C[5]2)(OC)(O)	110.1530	0.000	1	110.1530	0.000	1	110.1530	0.000	1	110.1530	0.000	1	108.7607	1.559	3	110.3538	2.519	23
474	813	930	0:SP3_SP2_SP2	C[5]	N[5a]	C	3:4:4:3:	3:3:4:	4:2:1:	N[5a]-3:C[5]-4:C[5]-4:C-3:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:O-2:O-1:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]C[5]HH)(COO)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2C)	C(C[5]N[5a]C[5]2)(OC)(O)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]C[5]HH)(COO){2|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2C){2|C<4>,3|C<3>,3|H<1>}	C(C[5]N[5a]C[5]2)(OC)(O)	108.3880	0.000	1	108.3880	0.000	1	108.0645	0.209	2	108.0645	0.209	2	108.7607	1.559	3	110.3538	2.519	23
474	813	930	0:SP3_SP2_SP2	C[5]	N[5a]	C	3:4:4:3:	3:3:4:	4:2:1:	N[5a]-3:C[5]-4:C[5]-4:C-3:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:O-2:O-1:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]O[5]HH)(COO)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2C)	C(C[5]N[5a]C[5]2)(OC)(O)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]O[5]HH)(COO){1|C<3>,2|N<2>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2C){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C(C[5]N[5a]C[5]2)(OC)(O)	107.7410	0.000	1	107.7410	0.000	1	108.0645	0.209	2	108.0645	0.209	2	108.7607	1.559	3	110.3538	2.519	23
474	813	930	0:SP3_SP2_SP3	C[5,5]	N[5a]	C	4:4:3:3:	4:3:3:	4:4:3:	C[5,5,6]-4:C[5,5,6]-4:N[5a]-3:C-3:	C[5,5]-4:C[5a]-3:N[5a]-3:	C[5,5]-4:C-4:C-3:	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(N[5a]C[5a]N[5a])(CCC)	N[5a](C[5,5]C[5,5,6]2C)(C[5a]N[5a]O)(N[5a]C[5a]H)	C(C[5,5]C[5,5,6]2N[5a])(CH3)(CHH)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(N[5a]C[5a]N[5a])(CCC){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	N[5a](C[5,5]C[5,5,6]2C)(C[5a]N[5a]O)(N[5a]C[5a]H){1|O<1>,2|H<1>,5|C<3>}	C(C[5,5]C[5,5,6]2N[5a])(CH3)(CHH)	110.1340	0.000	1	110.1340	0.000	1	110.1340	0.000	1	110.1340	0.000	1	110.1340	0.000	1	110.8203	0.491	3
474	813	930	0:SP3_SP2_SP3	C[5]	N[5,5a]	C	3:4:3:3:	3:3:4:	4:2:1:	N[5,5a]-3:C[5]-4:C-3:C-3:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:O-2:O-1:	C[5](N[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(COO)2	N[5,5a](N[5,5a]C[5a]C[5])(C[5a]N[5a]O)(C[5]C[5]CC)	C(C[5]N[5,5a]C[5]C)(OC)(O)	C[5](N[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(COO)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[5,5a](N[5,5a]C[5a]C[5])(C[5a]N[5a]O)(C[5]C[5]CC){1|O<1>,2|C<3>,3|H<1>}	C(C[5]N[5,5a]C[5]C)(OC)(O)	111.1635	0.524	2	111.1635	0.275	2	111.1635	0.275	2	111.1635	0.275	2	111.1635	0.275	2	110.8203	0.491	3
474	813	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5,5a,6]	H	3:4:4:1:	3:4:2:	4:	N[5,5a,6]-3:C[5,6]-4:C[5,5]-4:H-1:	C[5,5a,6]-3:C[5,5,6]-4:N[5a]-2:	C[5,5,6]-4:	C[5,5,6](N[5,5a,6]C[5,5a,6]N[5a])(C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(H)	N[5,5a,6](C[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]H)(N[5a]N[5a])	H(C[5,5,6]N[5,5a,6]C[5,5]C[5,6])	C[5,5,6](N[5,5a,6]C[5,5a,6]N[5a])(C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(H){1|C<4>,1|N<2>,3|C<3>}	N[5,5a,6](C[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]H)(N[5a]N[5a]){1|C<4>,1|N<3>,2|O<2>,3|H<1>}	H(C[5,5,6]N[5,5a,6]C[5,5]C[5,6])	117.1510	0.000	1	117.1510	0.000	1	117.4790	0.215	2	117.4790	0.215	2	116.6097	2.375	3	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5,5a,6]	H	3:4:4:1:	3:4:2:	4:	N[5,5a,6]-3:C[5,6]-4:C[5,5]-4:H-1:	C[5,5a,6]-3:C[5,5,6]-4:N[5a]-2:	C[5,5,6]-4:	C[5,5,6](N[5,5a,6]C[5,5a,6]N[5a])(C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(H)	N[5,5a,6](C[5,5a,6]C[5,5,6]N[5a])(C[5,5,6]C[5,5]C[5,6]H)(N[5a]N[5a])	H(C[5,5,6]N[5,5a,6]C[5,5]C[5,6])	C[5,5,6](N[5,5a,6]C[5,5a,6]N[5a])(C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(H){1|C<4>,2|C<3>,2|N<2>}	N[5,5a,6](C[5,5a,6]C[5,5,6]N[5a])(C[5,5,6]C[5,5]C[5,6]H)(N[5a]N[5a]){1|C<4>,1|N<3>,2|H<1>,2|O<2>}	H(C[5,5,6]N[5,5a,6]C[5,5]C[5,6])	117.8070	0.000	1	117.8070	0.000	1	117.4790	0.215	2	117.4790	0.215	2	116.6097	2.375	3	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[5,5a,6]	H	3:4:4:1:	3:4:3:	4:	N[5,5a,6]-3:C[5,5]-4:C[5,6]-4:H-1:	N[5,5a,6]-3:C[5,5,6]-4:C[5a]-3:	C[5,5,6]-4:	C[5,5,6](N[5,5a,6]N[5,5a,6]C[5a])(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]HH)(H)	N[5,5a,6](N[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]O)	H(C[5,5,6]N[5,5a,6]C[5,5]C[5,6])	C[5,5,6](N[5,5a,6]N[5,5a,6]C[5a])(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	N[5,5a,6](N[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]O){1|Si<4>,1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5,5,6]N[5,5a,6]C[5,5]C[5,6])	114.8710	0.000	1	114.8710	0.000	1	114.8710	0.000	1	114.8710	0.000	1	116.6097	2.375	3	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,5a]	H	3:4:3:1:	4:3:3:	4:	N[5,5a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5,5a]-3:C[5a]-3:	C[5,5]-4:	C[5,5](N[5,5a]C[5,5a]C[5a])(C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(H)	N[5,5a](C[5,5]C[5,5]N[5]H)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H)	H(C[5,5]N[5,5a]C[5,5]N[5])	C[5,5](N[5,5a]C[5,5a]C[5a])(C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(H){1|H<1>,1|O<1>,4|C<3>}	N[5,5a](C[5,5]C[5,5]N[5]H)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,5]N[5,5a]C[5,5]N[5])	111.5510	0.351	3	111.5510	0.123	3	111.5510	0.123	3	111.5510	0.123	3	111.5510	0.123	3	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,6a]	H	3:4:2:1:	4:3:3:	4:	N[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(O[5]C[5])(H)	N[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]N[6a]O[5])(C[6a]C[6a]H)	H(C[5,5]N[5,6a]C[5,5]O[5])	C[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	N[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]N[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,3|C<4>}	H(C[5,5]N[5,6a]C[5,5]O[5])	110.4770	0.000	1	110.4770	0.000	1	111.1455	0.894	2	111.1455	0.894	2	111.1946	0.997	5	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,6a]	H	3:4:2:1:	4:3:3:	4:	N[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	N[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]N[6a]O[5])(C[6a]C[6a]H)	H(C[5,5]N[5,6a]C[5,5]O[5])	C[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	N[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]N[6a]O[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[5,5]N[5,6a]C[5,5]O[5])	111.8140	0.000	1	111.8140	0.000	1	111.1455	0.894	2	111.1455	0.894	2	111.1946	0.997	5	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,6a]	H	3:4:4:1:	4:3:3:	4:	N[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]O[5]CH)(H)	N[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]N[6a]O[5])(C[6a]C[6a]H)	H(C[5,5]N[5,6a]C[5,5]C[5])	C[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]O[5]CH)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	N[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]N[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]N[5,6a]C[5,5]C[5])	109.7980	0.000	1	109.7980	0.000	1	111.2273	1.542	3	111.2273	1.542	3	111.1946	0.997	5	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5,5]	N[5,6a]	H	3:4:4:1:	4:3:3:	4:	N[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]HO)(H)	N[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]N[6a]N[5])(C[6a]C[6a]O)	H(C[5,5]N[5,6a]C[5,5]C[5])	C[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]HO)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	N[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]N[6a]N[5])(C[6a]C[6a]O){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	H(C[5,5]N[5,6a]C[5,5]C[5])	111.9420	0.143	2	111.9420	0.020	2	111.2273	1.542	3	111.2273	1.542	3	111.1946	0.997	5	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5,6,6]	N[5a,6]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6,6]-4:N[5a,6]-3:H-1:	C[5,6,6]-4:N[5a,6]-3:C[5a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6]S[5,5]H)(C[5,6,6]N[5,5,6]C[6]H)(N[5a,6]N[5a,6]C[5a])(H)	N[5a,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O)	H(C[5,6,6]C[5,5,6]C[5,6,6]N[5a,6])	C[5,6,6](C[5,5,6]C[5,6]S[5,5]H)(C[5,6,6]N[5,5,6]C[6]H)(N[5a,6]N[5a,6]C[5a])(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>,3|O<1>}	N[5a,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O){1|C<3>,1|N<3>,1|O<1>,1|S<4>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]N[5a,6])	108.9790	0.000	1	108.9790	0.000	1	108.9790	0.000	1	108.9790	0.000	1	108.9790	0.000	1	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,5a,6]	H	3:3:4:1:	3:4:3:	4:	N[5,5a,6]-3:C[5,6a]-3:C[6]-4:H-1:	C[5,5a]-3:C[5,6]-4:C[5a,6]-3:	C[5,6]-4:	C[5,6](N[5,5a,6]C[5,5a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H)	N[5,5a,6](C[5,5a]C[5,6a]C[5a])(C[5,6]C[5,6a]C[6]H)(C[5a,6]C[5a]C[6])	H(C[5,6]N[5,5a,6]C[5,6a]C[6])	C[5,6](N[5,5a,6]C[5,5a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H){2|H<1>,5|C<3>}	N[5,5a,6](C[5,5a]C[5,6a]C[5a])(C[5,6]C[5,6a]C[6]H)(C[5a,6]C[5a]C[6]){1|B<3>,3|C<3>,4|H<1>}	H(C[5,6]N[5,5a,6]C[5,6a]C[6])	102.9020	0.000	1	102.9020	0.000	1	102.9020	0.000	1	102.9020	0.000	1	102.9020	0.000	1	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,5a]	H	3:3:2:1:	4:3:3:	4:	C[6,6a]-3:N[5,5a]-3:O[5,6]-2:H-1:	C[5,6]-4:N[5,5a]-3:C[5a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(N[5,5a]N[5,5a]C[5a])(O[5,6]C[5,6])(H)	N[5,5a](C[5,6]C[6,6a]O[5,6]H)(N[5,5a]C[5,6]C[5a])(C[5a]N[5a]O)	H(C[5,6]C[6,6a]N[5,5a]O[5,6])	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(N[5,5a]N[5,5a]C[5a])(O[5,6]C[5,6])(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	N[5,5a](C[5,6]C[6,6a]O[5,6]H)(N[5,5a]C[5,6]C[5a])(C[5a]N[5a]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[5,6]C[6,6a]N[5,5a]O[5,6])	109.4400	0.000	1	109.4400	0.000	1	109.4400	0.000	1	110.3063	0.374	4	110.6407	0.495	6	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,5a]	H	3:3:2:1:	4:3:3:	4:	N[5,5a]-3:C[5,6]-3:O[6]-2:H-1:	C[5,6]-4:C[5,5a]-3:C[5a]-3:	C[5,6]-4:	C[5,6](N[5,5a]C[5,5a]C[5a])(C[5,6]C[5]C[6])(O[6]C[6,6a])(H)	N[5,5a](C[5,6]C[5,6]O[6]H)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H)	H(C[5,6]N[5,5a]C[5,6]O[6])	C[5,6](N[5,5a]C[5,5a]C[5a])(C[5,6]C[5]C[6])(O[6]C[6,6a])(H){1|H<1>,1|O<1>,5|C<3>}	N[5,5a](C[5,6]C[5,6]O[6]H)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H){2|H<1>,3|C<3>}	H(C[5,6]N[5,5a]C[5,6]O[6])	110.4220	0.000	1	110.5950	0.060	3	110.5950	0.060	3	110.3063	0.374	4	110.6407	0.495	6	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,5a]	H	3:3:2:1:	4:3:3:	4:	N[5,5a]-3:C[5,6]-3:O[6]-2:H-1:	C[5,6]-4:C[5,5a]-3:C[5a]-3:	C[5,6]-4:	C[5,6](N[5,5a]C[5,5a]C[5a])(C[5,6]C[5]C[6])(O[6]C[6,6a])(H)	N[5,5a](C[5,6]C[5,6]O[6]H)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H)	H(C[5,6]N[5,5a]C[5,6]O[6])	C[5,6](N[5,5a]C[5,5a]C[5a])(C[5,6]C[5]C[6])(O[6]C[6,6a])(H){1|H<1>,1|O<2>,5|C<3>}	N[5,5a](C[5,6]C[5,6]O[6]H)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H){2|H<1>,3|C<3>}	H(C[5,6]N[5,5a]C[5,6]O[6])	110.6815	0.275	2	110.5950	0.060	3	110.5950	0.060	3	110.3063	0.374	4	110.6407	0.495	6	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,5a]	H	3:3:4:1:	3:4:3:	4:	N[5,5a]-3:C[5,6]-3:C[6]-4:H-1:	C[5a,6a]-3:C[5,6]-4:C[5,5a]-3:	C[5,6]-4:	C[5,6](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,5a]C[5a]C[5])	H(C[5,6]N[5,5a]C[5,6]C[6])	C[5,6](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H){2|H<1>,3|C<3>,4|C<4>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,5a]C[5a]C[5]){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]N[5,5a]C[5,6]C[6])	111.3880	0.000	1	111.3880	0.000	1	111.3880	0.000	1	111.3880	0.000	1	110.6407	0.495	6	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5,6]	N[5,5a]	H	3:4:4:1:	4:3:3:	4:	N[5,5a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,5a]-3:C[5a]-3:	C[5,6]-4:	C[5,6](N[5,5a]C[5,5a]C[5a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	N[5,5a](C[5,6]C[5,6]C[6]H)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H)	H(C[5,6]N[5,5a]C[5,6]C[6])	C[5,6](N[5,5a]C[5,5a]C[5a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	N[5,5a](C[5,6]C[5,6]C[6]H)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H){1|O<1>,2|C<4>,5|H<1>}	H(C[5,6]N[5,5a]C[5,6]C[6])	111.2310	0.000	1	111.2310	0.000	1	111.2310	0.000	1	111.2310	0.000	1	110.6407	0.495	6	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5,6]	N[5a,6]	H	3:4:2:1:	3:4:3:	4:	N[5a,6]-3:C[5,5]-4:O[5,6]-2:H-1:	C[5a,6a]-3:C[5,6]-4:C[5a,6]-3:	C[5,6]-4:	C[5,6](N[5a,6]C[5a,6a]C[5a,6])(C[5,5]C[5,5]O[5]H)(O[5,6]C[5,6])(H)	N[5a,6](C[5a,6a]C[5a,6a]N[6a])(C[5,6]C[5,5]O[5,6]H)(C[5a,6]N[5a]C[6])	H(C[5,6]N[5a,6]C[5,5]O[5,6])	C[5,6](N[5a,6]C[5a,6a]C[5a,6])(C[5,5]C[5,5]O[5]H)(O[5,6]C[5,6])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|N<2>}	N[5a,6](C[5a,6a]C[5a,6a]N[6a])(C[5,6]C[5,5]O[5,6]H)(C[5a,6]N[5a]C[6]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]N[5a,6]C[5,5]O[5,6])	111.7760	0.000	1	111.7760	0.000	1	111.7760	0.000	1	111.7760	0.000	1	109.6789	0.657	36	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5,6]	N[5a,6]	H	3:4:2:1:	4:3:3:	4:	N[5a,6]-3:C[5,6]-4:N[5]-2:H-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6]-4:	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(N[5]C[5])(H)	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H)	H(C[5,6]N[5a,6]C[5,6]N[5])	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(N[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|N<3>}	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]N[5a,6]C[5,6]N[5])	109.6554	0.130	5	109.9996	0.164	10	109.4950	0.238	28	109.4950	0.238	28	109.6789	0.657	36	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5,6]	N[5a,6]	H	3:4:2:1:	4:3:3:	4:	N[5a,6]-3:C[5,6]-4:N[5]-2:H-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6]-4:	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(N[5]C[5])(H)	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H)	H(C[5,6]N[5a,6]C[5,6]N[5])	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(N[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|N<3>}	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,6]N[5a,6]C[5,6]N[5])	110.4847	0.197	3	109.9996	0.164	10	109.4950	0.238	28	109.4950	0.238	28	109.6789	0.657	36	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5,6]	N[5a,6]	H	3:4:2:1:	4:3:3:	4:	N[5a,6]-3:C[5,6]-4:N[5]-2:H-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6]-4:	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(N[5]C[5])(H)	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H)	H(C[5,6]N[5a,6]C[5,6]N[5])	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(N[5]C[5])(H){1|C<3>,1|N<2>,2|N<3>,3|H<1>}	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]N[5a,6]C[5,6]N[5])	110.1170	0.000	1	109.9996	0.164	10	109.4950	0.238	28	109.4950	0.238	28	109.6789	0.657	36	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5,6]	N[5a,6]	H	3:4:2:1:	4:3:3:	4:	N[5a,6]-3:C[5,6]-4:N[5]-2:H-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6]-4:	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(N[5]C[5])(H)	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H)	H(C[5,6]N[5a,6]C[5,6]N[5])	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(N[5]C[5])(H){1|C<3>,1|N<2>,2|N<3>,3|H<1>}	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,6]N[5a,6]C[5,6]N[5])	110.1480	0.000	1	109.9996	0.164	10	109.4950	0.238	28	109.4950	0.238	28	109.6789	0.657	36	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5,6]	N[5a,6]	H	3:4:2:1:	4:3:3:	4:	N[5a,6]-3:C[5,6]-4:N[5]-2:H-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6]-4:	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]S[5]H)(N[5]C[5])(H)	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H)	H(C[5,6]N[5a,6]C[5,6]N[5])	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]S[5]H)(N[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|N<3>}	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	H(C[5,6]N[5a,6]C[5,6]N[5])	109.1530	0.295	11	109.2147	0.058	18	109.4950	0.238	28	109.4950	0.238	28	109.6789	0.657	36	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5,6]	N[5a,6]	H	3:4:2:1:	4:3:3:	4:	N[5a,6]-3:C[5,6]-4:N[5]-2:H-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6]-4:	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]S[5]H)(N[5]C[5])(H)	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H)	H(C[5,6]N[5a,6]C[5,6]N[5])	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]S[5]H)(N[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|N<2>}	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	H(C[5,6]N[5a,6]C[5,6]N[5])	109.2750	0.015	4	109.2147	0.058	18	109.4950	0.238	28	109.4950	0.238	28	109.6789	0.657	36	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5,6]	N[5a,6]	H	3:4:2:1:	4:3:3:	4:	N[5a,6]-3:C[5,6]-4:N[5]-2:H-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6]-4:	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]S[5]H)(N[5]C[5])(H)	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H)	H(C[5,6]N[5a,6]C[5,6]N[5])	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]S[5]H)(N[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|N<2>}	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	H(C[5,6]N[5a,6]C[5,6]N[5])	109.3290	0.000	2	109.2147	0.058	18	109.4950	0.238	28	109.4950	0.238	28	109.6789	0.657	36	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5,6]	N[5a,6]	H	3:4:2:1:	4:3:3:	4:	N[5a,6]-3:C[5,6]-4:N[5]-2:H-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6]-4:	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]S[5]H)(N[5]C[5])(H)	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H)	H(C[5,6]N[5a,6]C[5,6]N[5])	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]S[5]H)(N[5]C[5])(H){1|C<3>,1|N<2>,2|N<3>,3|H<1>}	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	H(C[5,6]N[5a,6]C[5,6]N[5])	109.4230	0.000	1	109.2147	0.058	18	109.4950	0.238	28	109.4950	0.238	28	109.6789	0.657	36	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5,6]	N[5a,6]	H	3:4:4:1:	4:3:3:	4:	N[5a,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6]-4:	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5,5]N[6]H)(C[5]C[5,5]HH)(H)	N[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]Br)	H(C[5,6]N[5a,6]C[5,6]C[5])	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5,5]N[6]H)(C[5]C[5,5]HH)(H){1|Br<1>,1|O<2>,2|H<1>,2|N<3>,3|C<3>}	N[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]Br){1|Br<1>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5,6]N[5a,6]C[5,6]C[5])	109.7080	0.000	1	109.1213	0.177	4	109.1213	0.177	4	109.1213	0.177	4	109.6789	0.657	36	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5,6]	N[5a,6]	H	3:4:4:1:	4:3:3:	4:	N[5a,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6]-4:	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5,5]N[6]H)(C[5]C[5,5]HH)(H)	N[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]Br)	H(C[5,6]N[5a,6]C[5,6]C[5])	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5,5]N[6]H)(C[5]C[5,5]HH)(H){1|Br<1>,1|O<2>,2|H<1>,2|N<3>,3|C<3>}	N[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]Br){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[5,6]N[5a,6]C[5,6]C[5])	108.9257	0.191	3	109.1213	0.177	4	109.1213	0.177	4	109.1213	0.177	4	109.6789	0.657	36	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5,6]	N[5a,6]	H	4:3:2:1:	4:3:3:	4:	C[5,5,6]-4:N[5a,6]-3:O[5]-2:H-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,6]C[5]N[5])(N[5a,6]C[5a,6]C[5a])(O[5]C[5])(H)	N[5a,6](C[5,6]C[5,5,6]O[5]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]Br)	H(C[5,6]C[5,5,6]N[5a,6]O[5])	C[5,6](C[5,5,6]N[5,6]C[5]N[5])(N[5a,6]C[5a,6]C[5a])(O[5]C[5])(H){1|Br<1>,1|N<3>,2|C<4>,2|H<1>,3|C<3>}	N[5a,6](C[5,6]C[5,5,6]O[5]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]Br){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	H(C[5,6]C[5,5,6]N[5a,6]O[5])	111.1360	0.000	1	111.1360	0.000	1	111.1360	0.000	1	111.1360	0.000	1	109.6789	0.657	36	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5,6]	N[5a,6]	H	4:3:3:1:	4:3:3:	4:	C[5,5,6]-4:N[5a,6]-3:N[5]-3:H-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,6]N[5])(N[5a,6]C[5a,6]C[5a])(N[5]C[5]H)(H)	N[5a,6](C[5,6]C[5,5,6]N[5]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]Br)	H(C[5,6]C[5,5,6]N[5a,6]N[5])	C[5,6](C[5,5,6]C[5,6]N[5,6]N[5])(N[5a,6]C[5a,6]C[5a])(N[5]C[5]H)(H){1|Br<1>,1|H<1>,1|S<2>,3|C<3>,3|C<4>}	N[5a,6](C[5,6]C[5,5,6]N[5]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]Br){1|Br<1>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	H(C[5,6]C[5,5,6]N[5a,6]N[5])	111.5920	0.000	2	111.5920	0.000	2	111.5920	0.000	2	111.5920	0.000	2	109.6789	0.657	36	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5,6]	N[5a]	H	4:3:2:1:	4:3:2:	4:	C[5,5,6]-4:N[5a]-3:O[5,6]-2:H-1:	C[5,6]-4:C[5a,6a]-3:N[5a]-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5a]C[5a,6a]N[5a])(O[5,6]C[5,5,6])(H)	N[5a](C[5,6]C[5,5,6]O[5,6]H)(C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])	H(C[5,6]C[5,5,6]O[5,6]N[5a])	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5a]C[5a,6a]N[5a])(O[5,6]C[5,5,6])(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>}	N[5a](C[5,6]C[5,5,6]O[5,6]H)(C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]O[5,6]N[5a])	109.5760	0.215	2	109.5760	0.046	2	109.5760	0.046	2	109.5760	0.046	2	108.9476	1.956	7	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5,6]	N[5a]	H	4:3:4:1:	4:3:3:	4:	C[5,5,6]-4:N[5a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5a,6a]-3:C[5a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(N[5a]C[5a,6a]C[5a])(C[5,6]C[5,5,6]PdH)(H)	N[5a](C[5,6]C[5,5,6]C[5,6]H)(C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Pd)	H(C[5,6]C[5,5,6]C[5,6]N[5a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(N[5a]C[5a,6a]C[5a])(C[5,6]C[5,5,6]PdH)(H){1|C<4>,3|C<3>,5|H<1>}	N[5a](C[5,6]C[5,5,6]C[5,6]H)(C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Pd){2|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]N[5a])	110.5070	0.000	1	110.5070	0.000	1	110.5070	0.000	1	110.5070	0.000	1	108.9476	1.956	7	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5,6]	N[5a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6]-4:N[5a]-3:H-1:	C[5,6]-4:C[5a]-3:C[5a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(N[5a]C[5a]2)(H)	N[5a](C[5,6]C[5,5,6]C[5,6]H)(C[5a]N[5a,6]O)2	H(C[5,6]C[5,5,6]C[5,6]N[5a])	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(N[5a]C[5a]2)(H){2|N<3>,2|O<1>,3|C<4>,3|H<1>}	N[5a](C[5,6]C[5,5,6]C[5,6]H)(C[5a]N[5a,6]O)2{1|C<3>,2|H<1>,5|C<4>}	H(C[5,6]C[5,5,6]C[5,6]N[5a])	106.9890	0.437	2	106.9890	0.191	2	106.9890	0.191	2	108.2435	2.163	4	108.9476	1.956	7	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5,6]	N[5a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[5,6]-4:N[5a]-3:H-1:	C[5,6]-4:C[5a]-3:C[5a]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[6]O[5]C)(N[5a]C[5a]2)(H)	N[5a](C[5,6]C[5,6]2H)(C[5a]C[5a]C)2	H(C[5,6]C[5,6]2N[5a])	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[6]O[5]C)(N[5a]C[5a]2)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>,5|C<3>}	N[5a](C[5,6]C[5,6]2H)(C[5a]C[5a]C)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]2N[5a])	109.5270	0.000	1	109.5270	0.000	1	109.4980	0.002	2	108.2435	2.163	4	108.9476	1.956	7	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5,6]	N[5a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[5,6]-4:N[5a]-3:H-1:	C[5,6]-4:C[5a]-3:C[5a]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[6]O[5]H)(N[5a]C[5a]2)(H)	N[5a](C[5,6]C[5,6]2H)(C[5a]C[5a]C)2	H(C[5,6]C[5,6]2N[5a])	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[6]O[5]H)(N[5a]C[5a]2)(H){1|H<1>,1|N<3>,3|C<4>,5|C<3>}	N[5a](C[5,6]C[5,6]2H)(C[5a]C[5a]C)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]2N[5a])	109.4690	0.000	1	109.4690	0.000	1	109.4980	0.002	2	108.2435	2.163	4	108.9476	1.956	7	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:2:3:1:	3:3:4:	4:	N[5,5a]-3:O[5]-2:C-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(O[5]C[5])(CCH)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]O[5]CH)	H(C[5]N[5,5a]O[5]C)	C[5](N[5,5a]C[5a,6a]C[5,5a])(O[5]C[5])(CCH)(H){2|C<4>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]O[5]CH){2|C<3>,2|C<4>,2|H<1>}	H(C[5]N[5,5a]O[5]C)	110.3680	0.000	1	110.3680	0.000	1	110.3680	0.000	1	110.3680	0.000	1	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:2:4:1:	3:3:4:	4:	N[5,5a]-3:O[5]-2:C-4:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5,5a]C[5a])(O[5]C[5])(CF3)(H)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]O[5]CH)	H(C[5]N[5,5a]O[5]C)	C[5](N[5,5a]C[5,5a]C[5a])(O[5]C[5])(CF3)(H){1|H<1>,1|O<1>,2|C<3>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]O[5]CH){1|O<1>,2|H<1>}	H(C[5]N[5,5a]O[5]C)	111.1080	0.000	1	111.1080	0.000	1	111.1080	0.000	1	111.1080	0.000	1	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:3:1:1:	3:3:4:	4:	N[5,5a]-3:C[5,6a]-3:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(H)2	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]HH)	H(C[5]C[5,6a]N[5,5a]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,5|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]HH){1|H<1>,5|C<3>}	H(C[5]C[5,6a]N[5,5a]H)	111.5570	0.052	2	111.5570	0.003	2	111.5570	0.003	2	111.3583	0.119	12	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:3:1:1:	3:3:4:	4:	N[5,5a]-3:C[5]-3:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]C)(H)2	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH)	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]C)(H)2{1|H<1>,1|O<1>,2|C<3>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH){1|C<3>,1|O<1>,2|H<1>}	H(C[5]N[5,5a]C[5]H)	111.5105	0.005	2	111.5105	0.000	2	111.4841	0.017	8	111.3583	0.119	12	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:3:1:1:	3:3:4:	4:	N[5,5a]-3:C[5]-3:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]H)(H)2	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH)	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]H)(H)2{1|H<1>,3|C<3>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH){1|N<3>,2|C<3>,3|H<1>}	H(C[5]N[5,5a]C[5]H)	111.5790	0.064	2	111.5790	0.004	2	111.4841	0.017	8	111.3583	0.119	12	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:3:1:1:	3:3:4:	4:	N[5,5a]-3:C[5]-3:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]H)(H)2	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH)	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]H)(H)2{2|C<3>,2|H<1>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH){1|S<3>,3|H<1>}	H(C[5]N[5,5a]C[5]H)	111.4235	0.162	4	111.4235	0.026	4	111.4841	0.017	8	111.3583	0.119	12	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:3:1:1:	3:3:4:	4:	N[5,5a]-3:C[5]-3:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]S[5]C)(H)2	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5]C[5]HH)	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]S[5]C)(H)2{1|N<2>,2|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5]C[5]HH){1|H<1>,3|C<3>}	H(C[5]N[5,5a]C[5]H)	110.6565	0.015	2	110.6565	0.000	2	110.6565	0.000	2	111.3583	0.119	12	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:3:1:1:	3:4:2:	4:	C[5,6a]-3:N[5,5a]-3:H-1:H-1:	C[5,5a]-3:C[5]-4:N[5a]-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]N[5a])(H)2	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]HH)(N[5a]N[5a])	H(C[5]C[5,6a]N[5,5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]N[5a])(H)2{1|H<1>,1|N<2>,3|C<3>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]HH)(N[5a]N[5a]){3|C<3>}	H(C[5]C[5,6a]N[5,5a]H)	111.8162	0.076	8	111.8162	0.006	8	111.8162	0.006	8	111.8162	0.006	8	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:3:1:1:	3:4:3:	4:	N[5,5a]-3:C[5,5]-3:H-1:H-1:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](N[5,5a]C[5,5a]C[5a])(C[5,5]C[5,5]C[5])(H)2	N[5,5a](C[5,5a]C[5,5]C[5a])(C[5]C[5,5]HH)(C[5a]C[5a]H)	H(C[5]N[5,5a]C[5,5]H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5,5]C[5,5]C[5])(H)2{2|C<4>,2|H<1>,3|C<3>}	N[5,5a](C[5,5a]C[5,5]C[5a])(C[5]C[5,5]HH)(C[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	H(C[5]N[5,5a]C[5,5]H)	111.8410	0.048	7	111.8410	0.002	7	111.8410	0.002	7	111.8410	0.002	7	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:3:2:1:	3:3:4:	4:	N[5,5a]-3:C[6a]-3:S[5]-2:H-1:	C[5,5a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5,5a]2)(C[6a]C[6a]2)(S[5]C[5])(H)	N[5,5a](C[5,5a]C[5,5a]C[5])(C[5,5a]C[5a]C[5])(C[5]C[6a]S[5]H)	H(C[5]N[5,5a]C[6a]S[5])	C[5](N[5,5a]C[5,5a]2)(C[6a]C[6a]2)(S[5]C[5])(H){1|C<4>,4|C<3>,4|H<1>}	N[5,5a](C[5,5a]C[5,5a]C[5])(C[5,5a]C[5a]C[5])(C[5]C[6a]S[5]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[5]N[5,5a]C[6a]S[5])	109.2730	0.000	1	109.2730	0.000	1	109.2730	0.000	1	109.0022	0.228	9	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:3:2:1:	3:3:4:	4:	N[5,5a]-3:C[6a]-3:S[5]-2:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]S[5]H)	H(C[5]N[5,5a]C[6a]S[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H){1|Cl<1>,1|F<1>,1|N<2>,2|H<1>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]S[5]H){3|H<1>,4|C<3>}	H(C[5]N[5,5a]C[6a]S[5])	108.8510	0.298	2	108.9684	0.249	8	108.9684	0.249	8	109.0022	0.228	9	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:3:2:1:	3:3:4:	4:	N[5,5a]-3:C[6a]-3:S[5]-2:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]S[5]H)	H(C[5]N[5,5a]C[6a]S[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H){1|F<1>,1|N<2>,3|H<1>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]S[5]H){3|H<1>,4|C<3>}	H(C[5]N[5,5a]C[6a]S[5])	109.6890	0.390	2	108.9684	0.249	8	108.9684	0.249	8	109.0022	0.228	9	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:3:2:1:	3:3:4:	4:	N[5,5a]-3:C[6a]-3:S[5]-2:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]S[5]H)	H(C[5]N[5,5a]C[6a]S[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H){1|N<2>,2|F<1>,2|H<1>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]S[5]H){3|H<1>,4|C<3>}	H(C[5]N[5,5a]C[6a]S[5])	108.6440	0.000	1	108.9684	0.249	8	108.9684	0.249	8	109.0022	0.228	9	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:3:2:1:	3:3:4:	4:	N[5,5a]-3:C[6a]-3:S[5]-2:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]S[5]H)	H(C[5]N[5,5a]C[6a]S[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H){1|N<2>,4|C<3>,4|H<1>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]S[5]H){3|H<1>,4|C<3>}	H(C[5]N[5,5a]C[6a]S[5])	108.7560	0.000	1	108.9684	0.249	8	108.9684	0.249	8	109.0022	0.228	9	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:3:2:1:	3:3:4:	4:	N[5,5a]-3:C[6a]-3:S[5]-2:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]S[5]H)	H(C[5]N[5,5a]C[6a]S[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H){2|Cl<1>,1|N<2>,2|H<1>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]S[5]H){3|H<1>,4|C<3>}	H(C[5]N[5,5a]C[6a]S[5])	108.6335	0.241	2	108.9684	0.249	8	108.9684	0.249	8	109.0022	0.228	9	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:3:2:1:	3:4:3:	4:	N[5,5a]-3:C[6a]-3:S[5]-2:H-1:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](N[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(S[5]C[5])(H)	N[5,5a](C[5,5a]N[5a]C[5])(C[5]C[6a]S[5]H)(C[5a]C[5a]N)	H(C[5]N[5,5a]C[6a]S[5])	C[5](N[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(S[5]C[5])(H){2|H<1>,3|C<3>,3|N<2>}	N[5,5a](C[5,5a]N[5a]C[5])(C[5]C[6a]S[5]H)(C[5a]C[5a]N){1|N<2>,3|C<3>}	H(C[5]N[5,5a]C[6a]S[5])	108.5890	0.000	1	108.5890	0.000	1	108.5890	0.000	1	108.5890	0.000	1	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:3:3:1:	3:3:4:	4:	N[5,5a]-3:C[5]-3:C-3:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](N[5,5a]N[5,5a]C[5a])(C[5]C[5]C)(COO)(H)	N[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]CH)	H(C[5]N[5,5a]C[5]C)	C[5](N[5,5a]N[5,5a]C[5a])(C[5]C[5]C)(COO)(H){1|N<3>,3|C<3>}	N[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]CH){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[5]N[5,5a]C[5]C)	110.3920	0.000	1	110.3920	0.000	1	110.3920	0.000	1	109.6065	0.209	6	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:3:3:1:	3:3:4:	4:	N[5,5a]-3:C[6a]-3:C[5]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[6a]C[5]H)	H(C[5]N[5,5a]C[6a]C[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]C)(H){4|H<1>,5|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[6a]C[5]H){3|H<1>,6|C<3>}	H(C[5]N[5,5a]C[6a]C[5])	109.4494	0.276	5	109.4494	0.076	5	109.4494	0.076	5	109.6065	0.209	6	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:3:3:1:	3:4:2:	4:	C[5,6a]-3:N[5,5a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5]-4:N[5a]-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a]H)(N[5a]C[5a])	H(C[5]C[5,6a]N[5,5a]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(H){3|H<1>,6|C<3>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a]H)(N[5a]C[5a]){1|H<1>,1|O<2>,4|C<3>}	H(C[5]C[5,6a]N[5,5a]C[6a])	110.8310	0.000	1	110.8310	0.000	1	110.8310	0.000	1	110.8310	0.000	1	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:3:4:1:	3:3:4:	4:	N[5,5a]-3:C[5,6a]-3:C-4:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CCHH)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]CH)	H(C[5]C[5,6a]N[5,5a]C)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CCHH)(H){1|H<1>,1|N<2>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]CH){1|H<1>,4|C<3>}	H(C[5]C[5,6a]N[5,5a]C)	110.2910	0.000	1	110.2910	0.000	1	110.2910	0.000	1	109.3512	0.397	19	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:3:4:1:	3:3:4:	4:	N[5,5a]-3:C[5a]-3:C[5]-4:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5a]C[5]H)	H(C[5]N[5,5a]C[5a]C[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5a]C[5]H){1|C<4>,3|H<1>,6|C<3>}	H(C[5]N[5,5a]C[5a]C[5])	109.4250	0.000	1	109.6704	0.430	8	109.4921	0.538	10	109.3512	0.397	19	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:3:4:1:	3:3:4:	4:	N[5,5a]-3:C[5a]-3:C[5]-4:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5a]C[5]H)	H(C[5]N[5,5a]C[5a]C[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5a]C[5]H){1|C<2>,2|C<4>,3|H<1>,4|C<3>}	H(C[5]N[5,5a]C[5a]C[5])	108.9750	0.000	1	109.6704	0.430	8	109.4921	0.538	10	109.3512	0.397	19	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:3:4:1:	3:3:4:	4:	N[5,5a]-3:C[5a]-3:C[5]-4:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5a]C[5]H)	H(C[5]N[5,5a]C[5a]C[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H){1|N<3>,2|H<1>,6|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5a]C[5]H){1|C<2>,1|C<4>,3|H<1>,5|C<3>}	H(C[5]N[5,5a]C[5a]C[5])	110.9790	0.000	1	109.6704	0.430	8	109.4921	0.538	10	109.3512	0.397	19	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:3:4:1:	3:3:4:	4:	N[5,5a]-3:C[5a]-3:C[5]-4:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5a]C[5]H)	H(C[5]N[5,5a]C[5a]C[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H){1|N<3>,2|H<1>,6|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5a]C[5]H){1|C<4>,3|H<1>,6|C<3>}	H(C[5]N[5,5a]C[5a]C[5])	109.6095	0.492	4	109.6704	0.430	8	109.4921	0.538	10	109.3512	0.397	19	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:3:4:1:	3:3:4:	4:	N[5,5a]-3:C[5a]-3:C[5]-4:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5a]C[5]H)	H(C[5]N[5,5a]C[5a]C[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H){1|N<3>,3|H<1>,5|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5a]C[5]H){4|H<1>,6|C<3>}	H(C[5]N[5,5a]C[5a]C[5])	109.5460	0.000	1	109.6704	0.430	8	109.4921	0.538	10	109.3512	0.397	19	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:3:4:1:	3:3:4:	4:	N[5,5a]-3:C[5a]-3:C[5]-4:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a]N[5a])(C[5]C[5]CH)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5a]C[5]H)	H(C[5]N[5,5a]C[5a]C[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a]N[5a])(C[5]C[5]CH)(H){2|C<4>,2|H<1>,5|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5a]C[5]H){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	H(C[5]N[5,5a]C[5a]C[5])	108.2500	0.000	1	108.2500	0.000	1	109.4921	0.538	10	109.3512	0.397	19	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:3:4:1:	3:3:4:	4:	N[5,5a]-3:C[5a]-3:C[5]-4:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a]N[5a])(C[5]C[6a]C[5]H)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5a]C[5]H)	H(C[5]N[5,5a]C[5a]C[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a]N[5a])(C[5]C[6a]C[5]H)(H){2|C<4>,2|H<1>,7|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5a]C[5]H){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	H(C[5]N[5,5a]C[5a]C[5])	109.3080	0.000	1	109.3080	0.000	1	109.4921	0.538	10	109.3512	0.397	19	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:3:4:1:	3:3:4:	4:	N[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[6a]C[5]H)	H(C[5]N[5,5a]C[6a]C[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(H){3|H<1>,6|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[6a]C[5]H){5|C<3>,5|H<1>}	H(C[5]N[5,5a]C[6a]C[5])	109.3270	0.000	1	109.3270	0.000	1	109.0576	0.077	8	109.3512	0.397	19	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:3:4:1:	3:3:4:	4:	N[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[6a]C[5]H)	H(C[5]N[5,5a]C[6a]C[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,5|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[6a]C[5]H){1|Br<1>,1|O<1>,3|H<1>,4|C<3>}	H(C[5]N[5,5a]C[6a]C[5])	108.9890	0.000	1	108.9387	0.194	3	109.0576	0.077	8	109.3512	0.397	19	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:3:4:1:	3:3:4:	4:	N[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[6a]C[5]H)	H(C[5]N[5,5a]C[6a]C[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,3|H<1>,5|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[6a]C[5]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	H(C[5]N[5,5a]C[6a]C[5])	108.4750	0.000	1	108.9387	0.194	3	109.0576	0.077	8	109.3512	0.397	19	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:3:4:1:	3:3:4:	4:	N[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[6a]C[5]H)	H(C[5]N[5,5a]C[6a]C[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){4|H<1>,5|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[6a]C[5]H){5|C<3>,5|H<1>}	H(C[5]N[5,5a]C[6a]C[5])	109.3520	0.000	1	108.9387	0.194	3	109.0576	0.077	8	109.3512	0.397	19	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:3:4:1:	3:3:4:	4:	N[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]N[5])(C[5]C[6a]C[5]H)	H(C[5]N[5,5a]C[6a]C[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,2|H<1>,5|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]N[5])(C[5]C[6a]C[5]H){1|S<4>,4|C<3>,4|H<1>}	H(C[5]N[5,5a]C[6a]C[5])	109.1163	0.093	3	109.1163	0.009	3	109.0576	0.077	8	109.3512	0.397	19	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:3:4:1:	3:3:4:	4:	N[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]N[5])(C[5]C[6a]C[5]H)	H(C[5]N[5,5a]C[6a]C[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<2>,1|S<4>,2|H<1>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]N[5])(C[5]C[6a]C[5]H){1|S<4>,3|H<1>,4|C<3>}	H(C[5]N[5,5a]C[6a]C[5])	108.9690	0.000	1	108.9690	0.000	1	109.0576	0.077	8	109.3512	0.397	19	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:N[5,5a]-3:C-4:H-1:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(CCCH)(H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]CH)(C[5a]N[5a]H)	H(C[5]C[5,6a]N[5,5a]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(CCCH)(H){1|N<2>,2|H<1>,3|C<3>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]CH)(C[5a]N[5a]H){1|H<1>,2|C<3>}	H(C[5]C[5,6a]N[5,5a]C)	109.9730	0.000	1	109.9730	0.000	1	110.4737	0.230	3	110.3403	0.319	11	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:N[5,5a]-3:C-4:H-1:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(CCHH)(H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]CH)(C[5a]N[5a]H)	H(C[5]C[5,6a]N[5,5a]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(CCHH)(H){1|N<2>,2|H<1>,3|C<3>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]CH)(C[5a]N[5a]H){1|H<1>,2|C<3>}	H(C[5]C[5,6a]N[5,5a]C)	110.7240	0.288	2	110.7240	0.083	2	110.4737	0.230	3	110.3403	0.319	11	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:N[5,5a]-3:C[4]-4:H-1:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[4]C[4]2H)(H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[4]H)(C[5a]N[5a]H)	H(C[5]C[5,6a]N[5,5a]C[4])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[4]C[4]2H)(H){1|C<4>,1|N<2>,1|O<2>,3|C<3>,5|H<1>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[4]H)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]N[5,5a]C[4])	110.9050	0.000	1	110.9050	0.000	1	110.9050	0.000	1	110.3403	0.319	11	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:N[5,5a]-3:C[6]-4:H-1:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]2H)(H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6]H)(C[5a]N[5a]H)	H(C[5]C[5,6a]N[5,5a]C[6])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]2H)(H){1|C<4>,1|N<2>,1|O<2>,4|C<3>,5|H<1>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6]H)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]N[5,5a]C[6])	110.6773	0.361	3	110.2498	0.427	6	110.2498	0.427	6	110.3403	0.319	11	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:N[5,5a]-3:C[6]-4:H-1:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]2H)(H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6]H)(C[5a]N[5a]H)	H(C[5]C[5,6a]N[5,5a]C[6])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]2H)(H){1|C<4>,1|N<2>,2|O<2>,3|C<3>,5|H<1>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6]H)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]N[5,5a]C[6])	109.2620	0.000	1	110.2498	0.427	6	110.2498	0.427	6	110.3403	0.319	11	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:N[5,5a]-3:C[6]-4:H-1:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]2H)(H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6]H)(C[5a]N[5a]H)	H(C[5]C[5,6a]N[5,5a]C[6])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]2H)(H){1|N<2>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6]H)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]N[5,5a]C[6])	110.1025	0.555	2	110.2498	0.427	6	110.2498	0.427	6	110.3403	0.319	11	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:3:4:1:	3:4:3:	4:	N[5,5a]-3:C[6a]-3:C[5]-4:H-1:	N[5,5a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](N[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CC)(H)	N[5,5a](N[5,5a]C[5a]C[5])(C[5]C[6a]C[5]H)(C[5a]N[5a]O)	H(C[5]N[5,5a]C[6a]C[5])	C[5](N[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	N[5,5a](N[5,5a]C[5a]C[5])(C[5]C[6a]C[5]H)(C[5a]N[5a]O){1|O<1>,2|H<1>,5|C<3>}	H(C[5]N[5,5a]C[6a]C[5])	109.9180	0.000	1	109.9180	0.000	1	109.9180	0.000	1	110.3403	0.319	11	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:4:1:1:	3:2:4:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5,5a]-3:N[5a]-2:C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5,5a]N[5a])(C[5]N[5]HH)(H)2	N[5,5a](C[5,5a]C[5a,6a]N[5])(N[5a]C[5a,6a])(C[5]C[5]HH)	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5,5a]N[5a])(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>}	N[5,5a](C[5,5a]C[5a,6a]N[5])(N[5a]C[5a,6a])(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	H(C[5]N[5,5a]C[5]H)	111.5917	0.041	3	111.5917	0.002	3	111.5917	0.002	3	111.5917	0.002	3	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:4:1:1:	3:3:4:	4:	N[5,5a]-3:C[3,5]-4:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[3,5]C[3,5]C[3]H)(H)2	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[3,5]C[5a])(C[5]C[3,5]HH)	H(C[5]N[5,5a]C[3,5]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[3,5]C[3,5]C[3]H)(H)2{2|H<1>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[3,5]C[5a])(C[5]C[3,5]HH){1|C<4>,2|H<1>,4|C<3>}	H(C[5]N[5,5a]C[3,5]H)	109.3515	1.532	2	109.3515	2.348	2	109.3515	2.348	2	111.1897	0.251	95	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:4:1:1:	3:3:4:	4:	N[5,5a]-3:C[5,5]-4:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]C)(H)2	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]C[5a])(C[5]C[5,5]HH)	H(C[5]N[5,5a]C[5,5]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]C)(H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]C[5a])(C[5]C[5,5]HH){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]N[5,5a]C[5,5]H)	110.9657	0.014	3	110.9657	0.000	3	110.7027	0.292	7	111.1897	0.251	95	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:4:1:1:	3:3:4:	4:	N[5,5a]-3:C[5,5]-4:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]H)(H)2	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]C[5a])(C[5]C[5,5]HH)	H(C[5]N[5,5a]C[5,5]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]H)(H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]C[5a])(C[5]C[5,5]HH){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5]N[5,5a]C[5,5]H)	111.0835	0.018	2	111.0835	0.000	2	110.7027	0.292	7	111.1897	0.251	95	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:4:1:1:	3:3:4:	4:	N[5,5a]-3:C[5,5]-4:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]H)(H)2	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[5,5]HH)	H(C[5]N[5,5a]C[5,5]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]H)(H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[5,5]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5]N[5,5a]C[5,5]H)	109.9275	0.223	2	109.9275	0.050	2	110.7027	0.292	7	111.1897	0.251	95	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:4:1:1:	3:3:4:	4:	N[5,5a]-3:C[5,6]-4:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(H)2	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]C[5a])(C[5]C[5,6]HH)	H(C[5]N[5,5a]C[5,6]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(H)2{1|H<1>,1|N<3>,2|C<4>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]C[5a])(C[5]C[5,6]HH){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5]N[5,5a]C[5,6]H)	111.6697	0.046	6	111.6430	0.022	12	111.6430	0.022	12	111.1897	0.251	95	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:4:1:1:	3:3:4:	4:	N[5,5a]-3:C[5,6]-4:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(H)2	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]C[5a])(C[5]C[5,6]HH)	H(C[5]N[5,5a]C[5,6]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(H)2{1|H<1>,1|N<3>,2|C<4>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]C[5a])(C[5]C[5,6]HH){1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	H(C[5]N[5,5a]C[5,6]H)	111.4860	0.083	4	111.6430	0.022	12	111.6430	0.022	12	111.1897	0.251	95	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:4:1:1:	3:3:4:	4:	N[5,5a]-3:C[5,6]-4:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(H)2	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]C[5a])(C[5]C[5,6]HH)	H(C[5]N[5,5a]C[5,6]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(H)2{2|H<1>,3|C<3>,3|C<4>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]C[5a])(C[5]C[5,6]HH){2|C<3>,3|C<4>,3|H<1>}	H(C[5]N[5,5a]C[5,6]H)	111.8770	0.010	2	111.6430	0.022	12	111.6430	0.022	12	111.1897	0.251	95	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:4:1:1:	3:3:4:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5,5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5,5a,6a]C[5,5a])(C[5]C[5,6a]HH)(H)2	N[5,5a](C[5,5a,6a]C[5a,6a]C[5,6a])(C[5,5a]C[5,5a]C[5,6])(C[5]C[5]HH)	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5,5a,6a]C[5,5a])(C[5]C[5,6a]HH)(H)2{1|C<4>,3|C<3>}	N[5,5a](C[5,5a,6a]C[5a,6a]C[5,6a])(C[5,5a]C[5,5a]C[5,6])(C[5]C[5]HH){2|C<3>,2|H<1>,4|C<4>}	H(C[5]N[5,5a]C[5]H)	111.0950	0.012	4	111.0950	0.000	4	111.0950	0.000	4	111.1897	0.251	95	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:4:1:1:	3:3:4:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5,5a,6a]-3:C[5a,6]-3:C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5,5a,6a]C[5a,6])(C[5]C[5,6a]HH)(H)2	N[5,5a](C[5,5a,6a]C[5a,6a]C[5,6a])(C[5a,6]C[5a,6]C[6])(C[5]C[5]HH)	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5,5a,6a]C[5a,6])(C[5]C[5,6a]HH)(H)2{1|C<4>,3|C<3>}	N[5,5a](C[5,5a,6a]C[5a,6a]C[5,6a])(C[5a,6]C[5a,6]C[6])(C[5]C[5]HH){2|C<3>,2|C<4>,4|H<1>}	H(C[5]N[5,5a]C[5]H)	111.0775	0.004	4	111.0775	0.000	4	111.0775	0.000	4	111.1897	0.251	95	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:4:1:1:	3:3:4:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]CC)(H)2	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH)	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]CC)(H)2{1|H<1>,1|O<1>,2|C<3>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH){1|O<1>,2|C<4>,2|H<1>}	H(C[5]N[5,5a]C[5]H)	111.0743	0.066	12	111.0795	0.004	14	111.2886	0.055	48	111.1897	0.251	95	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:4:1:1:	3:3:4:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]CC)(H)2	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH)	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]CC)(H)2{2|C<3>,3|H<1>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[5]N[5,5a]C[5]H)	111.1105	0.060	2	111.0795	0.004	14	111.2886	0.055	48	111.1897	0.251	95	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:4:1:1:	3:3:4:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(H)2	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH)	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,4|H<1>}	H(C[5]N[5,5a]C[5]H)	111.8640	0.010	2	111.8640	0.000	2	111.2886	0.055	48	111.1897	0.251	95	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:4:1:1:	3:3:4:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]HH)	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]HH){1|C<3>,1|C<4>,4|H<1>}	H(C[5]N[5,5a]C[5]H)	111.4125	0.106	4	111.3958	0.013	12	111.2886	0.055	48	111.1897	0.251	95	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:4:1:1:	3:3:4:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]HH)	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|O<1>,3|C<3>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]HH){1|O<1>,4|H<1>}	H(C[5]N[5,5a]C[5]H)	111.2010	0.008	2	111.3958	0.013	12	111.2886	0.055	48	111.1897	0.251	95	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:4:1:1:	3:3:4:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]HH)	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]HH){2|C<3>,4|H<1>}	H(C[5]N[5,5a]C[5]H)	111.4495	0.054	6	111.3958	0.013	12	111.2886	0.055	48	111.1897	0.251	95	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:4:1:1:	3:3:4:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH)	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	H(C[5]N[5,5a]C[5]H)	111.1100	0.006	2	111.2007	0.012	4	111.2886	0.055	48	111.1897	0.251	95	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:4:1:1:	3:3:4:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH)	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH){1|S<4>,3|C<3>,4|H<1>}	H(C[5]N[5,5a]C[5]H)	111.2915	0.067	2	111.2007	0.012	4	111.2886	0.055	48	111.1897	0.251	95	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:4:1:1:	3:3:4:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH)	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH){1|O<1>,4|H<1>}	H(C[5]N[5,5a]C[5]H)	111.2438	0.041	4	111.2542	0.001	6	111.2886	0.055	48	111.1897	0.251	95	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:4:1:1:	3:3:4:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH)	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	H(C[5]N[5,5a]C[5]H)	111.2750	0.006	2	111.2542	0.001	6	111.2886	0.055	48	111.1897	0.251	95	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:4:1:1:	3:3:4:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5,5a]C[5a])(C[5]N[5]HH)(H)2	N[5,5a](C[5,5a]B[5a]N[5])(C[5a]N[5a]C)(C[5]C[5]HH)	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]N[5]HH)(H)2{1|B<4>,1|N<3>,2|C<4>}	N[5,5a](C[5,5a]B[5a]N[5])(C[5a]N[5a]C)(C[5]C[5]HH){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	H(C[5]N[5,5a]C[5]H)	111.5275	0.042	2	111.5275	0.002	2	111.2886	0.055	48	111.1897	0.251	95	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:4:1:1:	3:3:4:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5,5a]C[5a])(C[5]N[5]HH)(H)2	N[5,5a](C[5,5a]Ge[5a]N[5])(C[5a]N[5a]C)(C[5]C[5]HH)	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]N[5]HH)(H)2{1|Ge<3>,1|N<3>,2|C<4>}	N[5,5a](C[5,5a]Ge[5a]N[5])(C[5a]N[5a]C)(C[5]C[5]HH){1|Cr<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[5]N[5,5a]C[5]H)	111.4555	0.009	2	111.4525	0.001	4	111.2886	0.055	48	111.1897	0.251	95	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:4:1:1:	3:3:4:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5,5a]C[5a])(C[5]N[5]HH)(H)2	N[5,5a](C[5,5a]Ge[5a]N[5])(C[5a]N[5a]C)(C[5]C[5]HH)	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]N[5]HH)(H)2{1|Ge<3>,1|N<3>,2|C<4>}	N[5,5a](C[5,5a]Ge[5a]N[5])(C[5a]N[5a]C)(C[5]C[5]HH){1|Mo<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[5]N[5,5a]C[5]H)	111.4495	0.066	2	111.4525	0.001	4	111.2886	0.055	48	111.1897	0.251	95	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:4:1:1:	3:3:4:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5,5a]C[5a])(C[5]O[5]CH)(H)2	N[5,5a](C[5,5a]N[5a]O[5])(C[5a]C[5a]C)(C[5]C[5]HH)	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]O[5]CH)(H)2{1|N<2>,2|C<3>}	N[5,5a](C[5,5a]N[5a]O[5])(C[5a]C[5a]C)(C[5]C[5]HH){1|Br<1>,1|C<4>,1|H<1>}	H(C[5]N[5,5a]C[5]H)	111.6740	0.014	2	111.6740	0.000	2	111.2886	0.055	48	111.1897	0.251	95	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:4:1:1:	3:3:4:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5,5a]C[5a])(C[5]S[5]HH)(H)2	N[5,5a](C[5,5a]N[5a]S[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH)	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]S[5]HH)(H)2{1|N<2>,2|C<3>}	N[5,5a](C[5,5a]N[5a]S[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH){2|H<1>,3|C<3>}	H(C[5]N[5,5a]C[5]H)	110.8610	0.044	2	110.8610	0.002	2	111.2886	0.055	48	111.1897	0.251	95	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:4:1:1:	3:3:4:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]CH)(H)2	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]HH)	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]CH)(H)2{1|H<1>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]HH){1|C<4>,3|H<1>,4|C<3>}	H(C[5]N[5,5a]C[5]H)	111.3310	0.037	2	111.3310	0.001	2	111.0549	0.329	16	111.1897	0.251	95	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:4:1:1:	3:3:4:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(H)2	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]HH)	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]HH){1|C<2>,2|C<3>,5|H<1>}	H(C[5]N[5,5a]C[5]H)	111.3257	0.087	3	111.2728	0.009	5	111.0549	0.329	16	111.1897	0.251	95	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:4:1:1:	3:3:4:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(H)2	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]HH)	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]HH){3|C<3>,5|H<1>}	H(C[5]N[5,5a]C[5]H)	111.1935	0.009	2	111.2728	0.009	5	111.0549	0.329	16	111.1897	0.251	95	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:4:1:1:	3:3:4:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(H)2	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH)	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[5]N[5,5a]C[5]H)	111.5240	0.000	1	111.5240	0.000	1	111.0549	0.329	16	111.1897	0.251	95	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:4:1:1:	3:3:4:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HO)(H)2	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]HH)	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HO)(H)2{1|H<1>,1|N<2>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]HH){1|N<2>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]N[5,5a]C[5]H)	111.3870	0.054	2	111.3870	0.003	2	111.0549	0.329	16	111.1897	0.251	95	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:4:1:1:	3:3:4:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]N[5]CH)(H)2	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]N[5])(C[5]C[5]HH)	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]N[5]CH)(H)2{1|N<2>,1|S<4>,2|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]N[5])(C[5]C[5]HH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[5]N[5,5a]C[5]H)	111.1820	0.016	2	111.1820	0.000	2	111.0549	0.329	16	111.1897	0.251	95	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:4:1:1:	3:3:4:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]S[5]HH)(H)2	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5]C[5]HH)	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]S[5]HH)(H)2{1|N<2>,2|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5]C[5]HH){2|C<3>,3|H<1>}	H(C[5]N[5,5a]C[5]H)	110.2978	0.761	4	110.2978	0.578	4	111.0549	0.329	16	111.1897	0.251	95	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:4:1:1:	3:3:4:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](N[5,5a]N[5,5a]C[5a])(C[5]C[5]CC)(H)2	N[5,5a](N[5,5a]C[5a]C[5])(C[5a]N[5a]O)(C[5]C[5]HH)	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]N[5,5a]C[5a])(C[5]C[5]CC)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[5,5a](N[5,5a]C[5a]C[5])(C[5a]N[5a]O)(C[5]C[5]HH){1|H<1>,1|O<1>,4|C<3>}	H(C[5]N[5,5a]C[5]H)	111.1330	0.025	2	111.1330	0.001	2	111.1330	0.001	2	111.1897	0.251	95	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:4:1:1:	3:4:2:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5]-4:N[5a]-2:	C[5]-4:	C[5](N[5,5a]C[5,5a]N[5a])(C[5]C[5]CH)(H)2	N[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(N[5a]N[5a])	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5,5a]N[5a])(C[5]C[5]CH)(H)2{1|C<3>,1|N<2>,2|H<1>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(N[5a]N[5a]){1|C<4>,4|H<1>}	H(C[5]N[5,5a]C[5]H)	111.5700	0.018	2	111.5700	0.000	2	111.5490	0.079	47	111.5621	0.080	49	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:4:1:1:	3:4:2:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5]-4:N[5a]-2:	C[5]-4:	C[5](N[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(H)2	N[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(N[5a]C[5a])	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(N[5a]C[5a]){1|C<4>,1|S<4>,4|H<1>}	H(C[5]N[5,5a]C[5]H)	111.5820	0.014	2	111.5771	0.011	39	111.5490	0.079	47	111.5621	0.080	49	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:4:1:1:	3:4:2:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5]-4:N[5a]-2:	C[5]-4:	C[5](N[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(H)2	N[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(N[5a]C[5a])	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(N[5a]C[5a]){2|C<3>,4|H<1>}	H(C[5]N[5,5a]C[5]H)	111.5868	0.103	35	111.5771	0.011	39	111.5490	0.079	47	111.5621	0.080	49	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:4:1:1:	3:4:2:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5]-4:N[5a]-2:	C[5]-4:	C[5](N[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(H)2	N[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(N[5a]C[5a])	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(H)2{3|C<3>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(N[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	H(C[5]N[5,5a]C[5]H)	111.4025	0.009	2	111.5771	0.011	39	111.5490	0.079	47	111.5621	0.080	49	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:4:1:1:	3:4:2:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5]-4:N[5a]-2:	C[5]-4:	C[5](N[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(H)2	N[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(N[5a]N[5a])	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(H)2{1|N<2>,2|C<3>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	H(C[5]N[5,5a]C[5]H)	111.5770	0.004	2	111.5770	0.000	2	111.5490	0.079	47	111.5621	0.080	49	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:4:1:1:	3:4:2:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5]-4:N[5a]-2:	C[5]-4:	C[5](N[5,5a]C[5,5a]N[5a])(C[5]N[5]HH)(H)2	N[5,5a](C[5,5a]N[5a]N[5])(C[5]C[5]HH)(N[5a]N[5a])	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5,5a]N[5a])(C[5]N[5]HH)(H)2{1|H<1>,2|N<2>}	N[5,5a](C[5,5a]N[5a]N[5])(C[5]C[5]HH)(N[5a]N[5a]){3|H<1>}	H(C[5]N[5,5a]C[5]H)	111.8750	0.017	2	111.2502	0.938	4	111.5490	0.079	47	111.5621	0.080	49	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:4:1:1:	3:4:2:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5]-4:N[5a]-2:	C[5]-4:	C[5](N[5,5a]C[5,5a]N[5a])(C[5]N[5]HH)(H)2	N[5,5a](C[5,5a]N[5a]N[5])(C[5]C[5]HH)(N[5a]N[5a])	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5,5a]N[5a])(C[5]N[5]HH)(H)2{3|N<2>}	N[5,5a](C[5,5a]N[5a]N[5])(C[5]C[5]HH)(N[5a]N[5a]){1|N<2>,2|H<1>}	H(C[5]N[5,5a]C[5]H)	110.6255	1.119	2	111.2502	0.938	4	111.5490	0.079	47	111.5621	0.080	49	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:4:1:1:	3:4:2:	4:	N[5,5a]-3:S[5]-4:H-1:H-1:	C[5,5a]-3:C[5]-4:N[5a]-2:	C[5]-4:	C[5](N[5,5a]C[5,5a]N[5a])(S[5]C[5]OO)(H)2	N[5,5a](C[5,5a]C[5a]C[5])(C[5]S[5]HH)(N[5a]C[5a])	H(C[5]N[5,5a]S[5]H)	C[5](N[5,5a]C[5,5a]N[5a])(S[5]C[5]OO)(H)2{2|C<3>,2|H<1>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5]S[5]HH)(N[5a]C[5a]){2|C<3>,2|H<1>,2|O<1>}	H(C[5]N[5,5a]S[5]H)	111.8710	0.016	2	111.8710	0.000	2	111.8710	0.000	2	111.5621	0.080	49	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:4:1:1:	3:4:3:	4:	N[5,5a]-3:C[5,5]-4:H-1:H-1:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](N[5,5a]C[5,5a]C[5a])(C[5,5]C[5,5]C[5]C)(H)2	N[5,5a](C[5,5a]C[5,5]C[5a])(C[5]C[5,5]HH)(C[5a]C[5a]H)	H(C[5]N[5,5a]C[5,5]H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5,5]C[5,5]C[5]C)(H)2{1|N<3>,1|O<2>,3|C<3>,3|H<1>}	N[5,5a](C[5,5a]C[5,5]C[5a])(C[5]C[5,5]HH)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5]N[5,5a]C[5,5]H)	108.6125	2.920	2	108.6125	8.524	2	109.7315	4.511	4	110.3440	3.607	6	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:4:1:1:	3:4:3:	4:	N[5,5a]-3:C[5,5]-4:H-1:H-1:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](N[5,5a]C[5,5a]C[5a])(C[5,5]C[5,5]C[5]H)(H)2	N[5,5a](C[5,5a]C[5,5]C[5a])(C[5]C[5,5]HH)(C[5a]C[5a]H)	H(C[5]N[5,5a]C[5,5]H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5,5]C[5,5]C[5]H)(H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	N[5,5a](C[5,5a]C[5,5]C[5a])(C[5]C[5,5]HH)(C[5a]C[5a]H){1|C<4>,1|N<3>,4|H<1>}	H(C[5]N[5,5a]C[5,5]H)	110.8505	0.008	2	110.8505	0.000	2	109.7315	4.511	4	110.3440	3.607	6	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:4:1:1:	3:4:3:	4:	N[5,5a]-3:C[5,6]-4:H-1:H-1:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](N[5,5a]C[5,5a]C[5a])(C[5,6]C[5,6]C[6]H)(H)2	N[5,5a](C[5,5a]C[5,6]C[5a])(C[5]C[5,6]HH)(C[5a]C[5a]H)	H(C[5]N[5,5a]C[5,6]H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5,6]C[5,6]C[6]H)(H)2{1|O<2>,2|H<1>,4|C<3>}	N[5,5a](C[5,5a]C[5,6]C[5a])(C[5]C[5,6]HH)(C[5a]C[5a]H){2|C<3>,4|H<1>}	H(C[5]N[5,5a]C[5,6]H)	111.5690	0.020	2	111.5690	0.000	2	111.5690	0.000	2	110.3440	3.607	6	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:4:3:1:	3:3:4:	4:	N[5,5a]-3:C[5]-4:C-3:H-1:	C[5,5a,6a]-3:C[5a,6]-3:C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5,5a,6a]C[5a,6])(C[5]C[5,6a]HH)(CCC)(H)	N[5,5a](C[5,5a,6a]C[5a,6a]C[5,6a])(C[5a,6]C[5a,6]C[6])(C[5]C[5]CH)	H(C[5]N[5,5a]C[5]C)	C[5](N[5,5a]C[5,5a,6a]C[5a,6])(C[5]C[5,6a]HH)(CCC)(H){1|C<4>,3|C<3>}	N[5,5a](C[5,5a,6a]C[5a,6a]C[5,6a])(C[5a,6]C[5a,6]C[6])(C[5]C[5]CH){1|C<4>,3|C<3>,4|H<1>}	H(C[5]N[5,5a]C[5]C)	109.9540	0.107	4	109.9540	0.012	4	109.9540	0.012	4	109.6600	0.441	5	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:4:3:1:	3:3:4:	4:	N[5,5a]-3:C[5]-4:N-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]CH)(NCC)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]HN)	H(C[5]N[5,5a]C[5]N)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]CH)(NCC)(H){1|H<1>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]HN){1|C<4>,3|H<1>,4|C<3>}	H(C[5]N[5,5a]C[5]N)	108.4840	0.000	1	108.4840	0.000	1	108.4840	0.000	1	109.6600	0.441	5	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:4:4:1:	3:3:4:	4:	N[5,5a]-3:C[5,5]-4:C-4:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]O[5]H)(CCHO)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[5,5]CH)	H(C[5]N[5,5a]C[5,5]C)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]O[5]H)(CCHO)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[5,5]CH){2|C<3>,2|O<2>,3|H<1>}	H(C[5]N[5,5a]C[5,5]C)	110.4810	0.000	1	110.4810	0.000	1	110.4810	0.000	1	109.7733	0.442	3	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:4:4:1:	3:3:4:	4:	N[5,5a]-3:C[5]-4:C-4:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(CH3)(H)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]Br)(C[5]C[5]CH)	H(C[5]N[5,5a]C[5]C)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(CH3)(H){1|Br<1>,1|C<4>,1|O<2>,2|C<3>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]Br)(C[5]C[5]CH){1|Br<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]N[5,5a]C[5]C)	109.1610	0.000	1	109.4195	0.134	2	109.4195	0.134	2	109.7733	0.442	3	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,5a]	H	3:4:4:1:	3:3:4:	4:	N[5,5a]-3:C[5]-4:C-4:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(CH3)(H)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]Br)(C[5]C[5]CH)	H(C[5]N[5,5a]C[5]C)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(CH3)(H){1|Br<1>,1|O<2>,3|C<3>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]Br)(C[5]C[5]CH){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5]N[5,5a]C[5]C)	109.6780	0.000	1	109.4195	0.134	2	109.4195	0.134	2	109.7733	0.442	3	110.9229	0.930	237	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:N[5,6a]-3:H-1:H-1:	B[5,6a]-3:B[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]B[5,6a]2)(H)2	N[5,6a](B[5,6a]C[5,6a]N[5,6a])2(C[5]C[5,6a]HH)	H(C[5]C[5,6a]N[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]B[5,6a]2)(H)2{1|H<1>,2|N<3>,3|C<3>}	N[5,6a](B[5,6a]C[5,6a]N[5,6a])2(C[5]C[5,6a]HH){1|B<3>,2|C<4>,4|C<3>}	H(C[5]C[5,6a]N[5,6a]H)	110.8135	0.033	6	110.8135	0.001	6	110.8135	0.001	6	111.1102	0.164	10	110.4560	1.427	146	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,6a]	H	3:3:1:1:	3:3:4:	4:	N[5,6a]-3:C[5,6]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H)2	N[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6,6a]O)(C[5]C[5,6]HH)	H(C[5]N[5,6a]C[5,6]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6,6a]O)(C[5]C[5,6]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[5]N[5,6a]C[5,6]H)	111.5553	0.227	4	111.5553	0.052	4	111.5553	0.052	4	111.1102	0.164	10	110.4560	1.427	146	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:N[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(H)2	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6,6a]O)	H(C[5]C[5,6a]N[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,1|N<2>,1|O<1>,3|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6,6a]O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[5]C[5,6a]N[5,6a]H)	111.4210	0.006	2	111.4210	0.000	2	111.3109	0.009	10	111.3109	0.009	10	110.4560	1.427	146	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:N[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(H)2	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]O)	H(C[5]C[5,6a]N[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,1|N<2>,1|O<1>,3|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]O){1|N<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]N[5,6a]H)	111.3465	0.028	2	111.2834	0.008	8	111.3109	0.009	10	111.3109	0.009	10	110.4560	1.427	146	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:N[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(H)2	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]O)	H(C[5]C[5,6a]N[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,1|N<2>,1|O<1>,3|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]O){1|N<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]N[5,6a]H)	111.2623	0.091	6	111.2834	0.008	8	111.3109	0.009	10	111.3109	0.009	10	110.4560	1.427	146	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,6a]	H	3:3:3:1:	3:3:4:	4:	C[5,6a]-3:N[5,6a]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(COO)(H)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CH)	H(C[5]C[5,6a]N[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(COO)(H){1|H<1>,1|O<1>,4|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CH){5|C<3>}	H(C[5]C[5,6a]N[5,6a]C)	110.3560	0.000	1	110.3560	0.000	1	110.3560	0.000	1	110.6665	0.193	2	110.4560	1.427	146	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,6a]	H	3:3:3:1:	3:3:4:	4:	C[5,6a]-3:N[5,6a]-3:C-3:H-1:	N[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]N[5,6a]C[6a])(COO)(H)	N[5,6a](N[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CH)	H(C[5]C[5,6a]N[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]N[5,6a]C[6a])(COO)(H){1|H<1>,1|O<1>,4|C<3>}	N[5,6a](N[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CH){1|O<1>,4|C<3>}	H(C[5]C[5,6a]N[5,6a]C)	110.9770	0.000	1	110.9770	0.000	1	110.9770	0.000	1	110.6665	0.193	2	110.4560	1.427	146	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:N[5,6a]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(CNO)(H)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]O)	H(C[5]C[5,6a]N[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(CNO)(H){1|H<1>,1|O<1>,4|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,6a]N[5,6a]C)	111.6390	0.000	1	111.6390	0.000	1	111.6390	0.000	1	109.9150	0.544	12	110.4560	1.427	146	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,6a]	H	3:3:3:1:	3:4:3:	4:	N[5,6a]-3:C[5,6]-3:C[6a]-3:H-1:	N[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H)	N[5,6a](N[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a,6a]O)	H(C[5]N[5,6a]C[5,6]C[6a])	C[5](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,2|C<4>,2|O<1>,4|C<3>}	N[5,6a](N[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a,6a]O){1|C<4>,1|O<1>,5|C<3>}	H(C[5]N[5,6a]C[5,6]C[6a])	109.4620	0.000	1	110.0152	0.123	6	110.0152	0.123	6	109.9150	0.544	12	110.4560	1.427	146	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,6a]	H	3:3:3:1:	3:4:3:	4:	N[5,6a]-3:C[5,6]-3:C[6a]-3:H-1:	N[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H)	N[5,6a](N[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a,6a]O)	H(C[5]N[5,6a]C[5,6]C[6a])	C[5](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	N[5,6a](N[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a,6a]O){1|O<1>,2|C<4>,4|C<3>}	H(C[5]N[5,6a]C[5,6]C[6a])	109.7530	0.000	1	110.0152	0.123	6	110.0152	0.123	6	109.9150	0.544	12	110.4560	1.427	146	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,6a]	H	3:3:3:1:	3:4:3:	4:	N[5,6a]-3:C[5,6]-3:C[6a]-3:H-1:	N[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H)	N[5,6a](N[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a,6a]O)	H(C[5]N[5,6a]C[5,6]C[6a])	C[5](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,2|O<1>,4|C<3>}	N[5,6a](N[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a,6a]O){1|C<4>,1|O<1>,5|C<3>}	H(C[5]N[5,6a]C[5,6]C[6a])	110.2190	0.159	4	110.0152	0.123	6	110.0152	0.123	6	109.9150	0.544	12	110.4560	1.427	146	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,6a]	H	3:3:3:1:	3:4:3:	4:	N[5,6a]-3:C[6a]-3:C[5]-3:H-1:	N[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](N[5,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	N[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a,6a]O)	H(C[5]N[5,6a]C[6a]C[5])	C[5](N[5,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a,6a]O){1|C<4>,1|O<1>,5|C<3>}	H(C[5]N[5,6a]C[6a]C[5])	109.8910	0.123	2	109.8127	0.026	3	109.8127	0.026	3	109.9150	0.544	12	110.4560	1.427	146	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,6a]	H	3:3:3:1:	3:4:3:	4:	N[5,6a]-3:C[6a]-3:C[5]-3:H-1:	N[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](N[5,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	N[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a,6a]O)	H(C[5]N[5,6a]C[6a]C[5])	C[5](N[5,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	N[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a,6a]O){1|N<3>,1|O<1>,5|C<3>}	H(C[5]N[5,6a]C[6a]C[5])	109.6560	0.000	1	109.8127	0.026	3	109.8127	0.026	3	109.9150	0.544	12	110.4560	1.427	146	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,6a]	H	3:3:3:1:	3:4:3:	4:	N[5,6a]-3:P[5]-3:C[6a]-3:H-1:	N[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](N[5,6a]N[5,6a]C[6a])(P[5]C[6a]C[5])(C[6a]C[6a]2)(H)	N[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]P[5]H)(C[6a]C[6a,6a]O)	H(C[5]N[5,6a]C[6a]P[5])	C[5](N[5,6a]N[5,6a]C[6a])(P[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,8|C<3>}	N[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]P[5]H)(C[6a]C[6a,6a]O){1|H<1>,1|O<1>,6|C<3>}	H(C[5]N[5,6a]C[6a]P[5])	108.9060	0.465	2	108.9060	0.216	2	108.9060	0.216	2	109.9150	0.544	12	110.4560	1.427	146	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:N[5,6a]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(CCHH)(H)	N[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CH)	H(C[5]C[5,6a]N[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(CCHH)(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	N[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CH){4|C<3>}	H(C[5]C[5,6a]N[5,6a]C)	110.3630	0.000	1	110.3630	0.000	1	110.3630	0.000	1	109.7167	0.750	3	110.4560	1.427	146	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,6a]	H	3:3:4:1:	3:3:4:	4:	N[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(H)	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5a,6a]O)(C[5]C[5]CH)	H(C[5]N[5,6a]C[5]C)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(H){1|N<2>,1|O<1>,2|C<3>}	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5a,6a]O)(C[5]C[5]CH){1|O<1>,1|O<2>,2|C<3>}	H(C[5]N[5,6a]C[5]C)	108.7330	0.000	1	108.7330	0.000	1	109.3935	0.873	2	109.7167	0.750	3	110.4560	1.427	146	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,6a]	H	3:3:4:1:	3:3:4:	4:	N[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(H)	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5a,6a]O)(C[5]C[5]CH)	H(C[5]N[5,6a]C[5]C)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(H){1|N<2>,1|O<1>,2|C<3>}	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5a,6a]O)(C[5]C[5]CH){1|O<1>,1|S<2>,2|C<3>}	H(C[5]N[5,6a]C[5]C)	110.0540	0.000	1	110.0540	0.000	1	109.3935	0.873	2	109.7167	0.750	3	110.4560	1.427	146	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,6a]	H	3:4:1:1:	3:3:4:	4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a,6a]-3:C[5a,6a]-3:C[5]-4:	C[5]-4:	C[5](N[5,6a]C[5,6a,6a]C[5a,6a])(C[5]C[5,6a]HH)(H)2	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]HH)	H(C[5]N[5,6a]C[5]H)	C[5](N[5,6a]C[5,6a,6a]C[5a,6a])(C[5]C[5,6a]HH)(H)2{4|C<3>}	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]HH){1|C<2>,2|H<1>,5|C<3>}	H(C[5]N[5,6a]C[5]H)	110.9480	0.013	2	110.9480	0.000	2	110.9480	0.000	2	110.6945	1.031	84	110.4560	1.427	146	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,6a]	H	3:4:1:1:	3:3:4:	4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a,6a]-3:C[6a,6a]-3:C[5]-4:	C[5]-4:	C[5](N[5,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]HH)(H)2	N[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]HH)	H(C[5]N[5,6a]C[5]H)	C[5](N[5,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]HH)(H)2{4|C<3>}	N[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]HH){3|H<1>,5|C<3>}	H(C[5]N[5,6a]C[5]H)	110.9000	0.042	2	110.9000	0.002	2	111.0397	0.027	4	110.6945	1.031	84	110.4560	1.427	146	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,6a]	H	3:4:1:1:	3:3:4:	4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a,6a]-3:C[6a,6a]-3:C[5]-4:	C[5]-4:	C[5](N[5,6a]C[5,6a,6a]C[6a,6a])(C[5]N[5,6a]HH)(H)2	N[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]HH)	H(C[5]N[5,6a]C[5]H)	C[5](N[5,6a]C[5,6a,6a]C[6a,6a])(C[5]N[5,6a]HH)(H)2{4|C<3>}	N[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]HH){3|H<1>,5|C<3>}	H(C[5]N[5,6a]C[5]H)	111.1795	0.018	2	111.1795	0.000	2	111.0397	0.027	4	110.6945	1.031	84	110.4560	1.427	146	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,6a]	H	3:4:1:1:	3:3:4:	4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH)	H(C[5]N[5,6a]C[5]H)	C[5](N[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2{1|O<1>,3|C<3>}	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH){2|H<1>,4|C<3>}	H(C[5]N[5,6a]C[5]H)	110.8792	0.096	16	110.8815	0.008	18	110.8996	0.010	20	110.6945	1.031	84	110.4560	1.427	146	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,6a]	H	3:4:1:1:	3:3:4:	4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH)	H(C[5]N[5,6a]C[5]H)	C[5](N[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2{1|O<1>,3|C<3>}	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[5]N[5,6a]C[5]H)	110.8995	0.039	2	110.8815	0.008	18	110.8996	0.010	20	110.6945	1.031	84	110.4560	1.427	146	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,6a]	H	3:4:1:1:	3:3:4:	4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5,6a]C[5,6a,6a]C[6a])(C[5]N[5,6a]HH)(H)2	N[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH)	H(C[5]N[5,6a]C[5]H)	C[5](N[5,6a]C[5,6a,6a]C[6a])(C[5]N[5,6a]HH)(H)2{1|O<1>,3|C<3>}	N[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[5]N[5,6a]C[5]H)	111.0630	0.008	2	111.0630	0.000	2	110.8996	0.010	20	110.6945	1.031	84	110.4560	1.427	146	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,6a]	H	3:4:1:1:	3:3:4:	4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2	N[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6,6a]O)(C[5]C[5]HH)	H(C[5]N[5,6a]C[5]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2{1|O<1>,2|C<3>,2|O<2>}	N[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6,6a]O)(C[5]C[5]HH){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[5]N[5,6a]C[5]H)	111.1315	0.059	2	111.1315	0.003	2	110.5912	1.461	58	110.6945	1.031	84	110.4560	1.427	146	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,6a]	H	3:4:1:1:	3:3:4:	4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2	N[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)(C[5]C[5]HH)	H(C[5]N[5,6a]C[5]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2{1|O<1>,2|C<3>,2|O<2>}	N[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<2>,1|C<3>,2|O<2>,3|H<1>}	H(C[5]N[5,6a]C[5]H)	111.2365	0.047	2	111.2365	0.002	2	110.5912	1.461	58	110.6945	1.031	84	110.4560	1.427	146	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,6a]	H	3:4:1:1:	3:3:4:	4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]O)(C[5]C[5]HH)	H(C[5]N[5,6a]C[5]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|H<1>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]O)(C[5]C[5]HH){1|C<3>,2|N<3>,4|H<1>}	H(C[5]N[5,6a]C[5]H)	110.0421	1.983	8	110.0421	3.931	8	110.5912	1.461	58	110.6945	1.031	84	110.4560	1.427	146	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,6a]	H	3:4:1:1:	3:3:4:	4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH)	H(C[5]N[5,6a]C[5]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|H<1>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH){3|C<3>,4|H<1>}	H(C[5]N[5,6a]C[5]H)	110.8990	0.040	2	110.8990	0.002	2	110.5912	1.461	58	110.6945	1.031	84	110.4560	1.427	146	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,6a]	H	3:4:1:1:	3:3:4:	4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH)	H(C[5]N[5,6a]C[5]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|H<1>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH){2|Cl<1>,1|N<2>,4|H<1>}	H(C[5]N[5,6a]C[5]H)	111.1805	0.012	2	111.1805	0.000	2	110.5912	1.461	58	110.6945	1.031	84	110.4560	1.427	146	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,6a]	H	3:4:1:1:	3:3:4:	4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[5a,6a]O)(C[5]C[5]HH)	H(C[5]N[5,6a]C[5]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|O<1>,2|H<1>}	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[5a,6a]O)(C[5]C[5]HH){2|C<3>,4|H<1>}	H(C[5]N[5,6a]C[5]H)	111.0110	0.028	2	111.0110	0.001	2	110.5912	1.461	58	110.6945	1.031	84	110.4560	1.427	146	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,6a]	H	3:4:1:1:	3:3:4:	4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH)	H(C[5]N[5,6a]C[5]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>}	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	H(C[5]N[5,6a]C[5]H)	111.2273	0.128	3	110.6635	0.856	11	110.5912	1.461	58	110.6945	1.031	84	110.4560	1.427	146	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,6a]	H	3:4:1:1:	3:3:4:	4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH)	H(C[5]N[5,6a]C[5]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH){1|O<2>,2|C<3>,3|H<1>}	H(C[5]N[5,6a]C[5]H)	108.8400	0.339	2	110.6635	0.856	11	110.5912	1.461	58	110.6945	1.031	84	110.4560	1.427	146	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,6a]	H	3:4:1:1:	3:3:4:	4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH)	H(C[5]N[5,6a]C[5]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<2>,1|O<1>,1|O<2>,2|C<3>}	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH){1|O<2>,2|H<1>,3|C<3>}	H(C[5]N[5,6a]C[5]H)	111.2125	0.018	2	110.6635	0.856	11	110.5912	1.461	58	110.6945	1.031	84	110.4560	1.427	146	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,6a]	H	3:4:1:1:	3:3:4:	4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH)	H(C[5]N[5,6a]C[5]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<2>,1|O<1>,2|C<3>}	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH){2|H<1>,3|C<3>}	H(C[5]N[5,6a]C[5]H)	110.8780	0.083	4	110.6635	0.856	11	110.5912	1.461	58	110.6945	1.031	84	110.4560	1.427	146	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,6a]	H	3:4:1:1:	3:3:4:	4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	N[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH)	H(C[5]N[5,6a]C[5]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|Cu<5>,1|O<1>,2|C<3>}	N[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH){1|Cu<5>,2|H<1>,3|C<3>}	H(C[5]N[5,6a]C[5]H)	111.4800	0.047	2	111.4220	0.006	4	110.5912	1.461	58	110.6945	1.031	84	110.4560	1.427	146	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,6a]	H	3:4:1:1:	3:3:4:	4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	N[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH)	H(C[5]N[5,6a]C[5]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|O<1>,2|C<3>}	N[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH){2|H<1>,3|C<3>}	H(C[5]N[5,6a]C[5]H)	111.3640	0.030	2	111.4220	0.006	4	110.5912	1.461	58	110.6945	1.031	84	110.4560	1.427	146	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,6a]	H	3:4:1:1:	3:3:4:	4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]HH)	H(C[5]N[5,6a]C[5]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5]N[5,6a]C[5]H)	111.1735	0.009	2	111.2237	0.004	4	110.5912	1.461	58	110.6945	1.031	84	110.4560	1.427	146	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,6a]	H	3:4:1:1:	3:3:4:	4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]HH)	H(C[5]N[5,6a]C[5]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]HH){2|C<3>,4|H<1>}	H(C[5]N[5,6a]C[5]H)	111.2740	0.044	2	111.2237	0.004	4	110.5912	1.461	58	110.6945	1.031	84	110.4560	1.427	146	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,6a]	H	3:4:1:1:	3:3:4:	4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]N[6a]O)(C[5]C[5]HH)	H(C[5]N[5,6a]C[5]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]N[6a]O)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	H(C[5]N[5,6a]C[5]H)	108.9345	1.460	2	108.9345	2.132	2	110.5912	1.461	58	110.6945	1.031	84	110.4560	1.427	146	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,6a]	H	3:4:1:1:	3:3:4:	4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]HH)	H(C[5]N[5,6a]C[5]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|N<2>,1|O<1>,2|C<3>}	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	H(C[5]N[5,6a]C[5]H)	110.5863	2.988	4	110.8008	5.466	6	110.5912	1.461	58	110.6945	1.031	84	110.4560	1.427	146	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,6a]	H	3:4:1:1:	3:3:4:	4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]HH)	H(C[5]N[5,6a]C[5]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|N<3>,1|O<1>,2|C<3>}	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]HH){2|H<1>,4|C<3>}	H(C[5]N[5,6a]C[5]H)	111.2300	0.017	2	110.8008	5.466	6	110.5912	1.461	58	110.6945	1.031	84	110.4560	1.427	146	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,6a]	H	3:4:1:1:	3:3:4:	4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(H)2	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]HH)	H(C[5]N[5,6a]C[5]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(H)2{1|O<1>,2|C<3>}	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<3>,4|H<1>}	H(C[5]N[5,6a]C[5]H)	110.2976	0.179	7	110.2976	0.032	7	110.5912	1.461	58	110.6945	1.031	84	110.4560	1.427	146	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,6a]	H	3:4:1:1:	3:3:4:	4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(H)2	N[5,6a](C[5,6a]N[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]HH)	H(C[5]N[5,6a]C[5]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(H)2{1|C<3>,1|N<2>,1|O<1>}	N[5,6a](C[5,6a]N[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<3>,1|N<2>,2|H<1>}	H(C[5]N[5,6a]C[5]H)	110.0855	0.032	4	110.0663	0.002	6	110.5912	1.461	58	110.6945	1.031	84	110.4560	1.427	146	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,6a]	H	3:4:1:1:	3:3:4:	4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(H)2	N[5,6a](C[5,6a]N[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]HH)	H(C[5]N[5,6a]C[5]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(H)2{1|C<3>,1|N<2>,1|O<1>}	N[5,6a](C[5,6a]N[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<3>,3|H<1>}	H(C[5]N[5,6a]C[5]H)	110.0280	0.011	2	110.0663	0.002	6	110.5912	1.461	58	110.6945	1.031	84	110.4560	1.427	146	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,6a]	H	3:4:1:1:	3:4:2:	4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5]-4:	C[5](N[5,6a]C[5,6a]N[6a])(C[5]S[5]HH)(H)2	N[5,6a](C[5,6a]N[6a]S[5])(C[5]C[5]HH)(N[6a]C[6a])	H(C[5]N[5,6a]C[5]H)	C[5](N[5,6a]C[5,6a]N[6a])(C[5]S[5]HH)(H)2{1|C<3>,1|N<2>}	N[5,6a](C[5,6a]N[6a]S[5])(C[5]C[5]HH)(N[6a]C[6a]){2|C<3>,2|H<1>}	H(C[5]N[5,6a]C[5]H)	110.6623	0.024	3	110.6623	0.001	3	110.6623	0.001	3	110.6623	0.001	3	110.4560	1.427	146	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,6a]	H	3:4:2:1:	3:3:4:	4:	N[5,6a]-3:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(OH)(H)	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5a,6a]O)(C[5]C[5]HO)	H(C[5]N[5,6a]C[5]O)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(OH)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5a,6a]O)(C[5]C[5]HO){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	H(C[5]N[5,6a]C[5]O)	109.8340	0.000	1	109.8340	0.000	1	109.8340	0.000	1	109.8340	0.000	1	110.4560	1.427	146	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,6a]	H	3:4:3:1:	3:3:4:	4:	N[5,6a]-3:C[5]-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(COO)(H)	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]CH)	H(C[5]N[5,6a]C[5]C)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(COO)(H){1|O<1>,2|C<3>}	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]CH){1|C<3>,1|N<2>,3|H<1>}	H(C[5]N[5,6a]C[5]C)	109.1040	0.000	1	110.6419	1.699	7	110.6419	1.699	7	110.6419	1.699	7	110.4560	1.427	146	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,6a]	H	3:4:3:1:	3:3:4:	4:	N[5,6a]-3:C[5]-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(COO)(H)	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]CH)	H(C[5]N[5,6a]C[5]C)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(COO)(H){1|O<1>,2|C<3>}	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]CH){1|C<3>,1|N<3>,3|H<1>}	H(C[5]N[5,6a]C[5]C)	109.8240	0.000	1	110.6419	1.699	7	110.6419	1.699	7	110.6419	1.699	7	110.4560	1.427	146	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,6a]	H	3:4:3:1:	3:3:4:	4:	N[5,6a]-3:C[5]-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(COO)(H)	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]CH)	H(C[5]N[5,6a]C[5]C)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(COO)(H){1|O<1>,2|C<3>}	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]CH){1|C<3>,4|H<1>}	H(C[5]N[5,6a]C[5]C)	111.4760	1.067	4	110.6419	1.699	7	110.6419	1.699	7	110.6419	1.699	7	110.4560	1.427	146	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,6a]	H	3:4:3:1:	3:3:4:	4:	N[5,6a]-3:C[5]-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(COO)(H)	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]CH)	H(C[5]N[5,6a]C[5]C)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(COO)(H){2|C<3>,2|O<1>}	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]CH){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	H(C[5]N[5,6a]C[5]C)	109.6610	0.000	1	110.6419	1.699	7	110.6419	1.699	7	110.6419	1.699	7	110.4560	1.427	146	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,6a]	H	3:4:3:1:	3:4:3:	4:	N[5,6a]-3:P[5]-4:C[6a]-3:H-1:	N[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](N[5,6a]N[5,6a]C[6a])(P[5]C[6a]C[5]Pd)(C[6a]C[6a]2)(H)	N[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]P[5]H)(C[6a]C[6a,6a]O)	H(C[5]N[5,6a]C[6a]P[5])	C[5](N[5,6a]N[5,6a]C[6a])(P[5]C[6a]C[5]Pd)(C[6a]C[6a]2)(H){1|O<1>,3|H<1>,7|C<3>}	N[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]P[5]H)(C[6a]C[6a,6a]O){1|Pd<4>,1|H<1>,1|O<1>,6|C<3>}	H(C[5]N[5,6a]C[6a]P[5])	108.4545	0.750	2	108.4545	0.563	2	108.2037	1.724	10	108.2037	1.724	10	110.4560	1.427	146	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,6a]	H	3:4:3:1:	3:4:3:	4:	N[5,6a]-3:P[5]-4:C[6a]-3:H-1:	N[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](N[5,6a]N[5,6a]C[6a])(P[5]C[6a]C[5]Rh)(C[6a]C[6a]2)(H)	N[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]P[5]H)(C[6a]C[6a,6a]O)	H(C[5]N[5,6a]C[6a]P[5])	C[5](N[5,6a]N[5,6a]C[6a])(P[5]C[6a]C[5]Rh)(C[6a]C[6a]2)(H){1|O<1>,3|H<1>,7|C<3>}	N[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]P[5]H)(C[6a]C[6a,6a]O){1|Rh<4>,1|H<1>,1|O<1>,6|C<3>}	H(C[5]N[5,6a]C[6a]P[5])	108.1410	1.454	8	108.1410	2.114	8	108.2037	1.724	10	108.2037	1.724	10	110.4560	1.427	146	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,6a]	H	3:4:4:1:	3:3:4:	4:	N[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(CH3)(H)	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]CH)	H(C[5]N[5,6a]C[5]C)	C[5](N[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(CH3)(H){4|C<3>}	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]CH){3|H<1>,5|C<3>}	H(C[5]N[5,6a]C[5]C)	110.5260	0.000	1	110.5260	0.000	1	110.5260	0.000	1	108.8980	2.522	3	110.4560	1.427	146	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,6a]	H	3:4:4:1:	3:3:4:	4:	N[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5]H)(CH3)(H)	N[5,6a](C[5,6a]N[6a]S[5])(C[6a]C[6a,6a]O)(C[5]C[5]CH)	H(C[5]N[5,6a]C[5]C)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5]H)(CH3)(H){1|N<2>,1|O<1>,3|C<3>}	N[5,6a](C[5,6a]N[6a]S[5])(C[6a]C[6a,6a]O)(C[5]C[5]CH){1|H<1>,3|C<3>}	H(C[5]N[5,6a]C[5]C)	108.8150	0.000	1	108.8150	0.000	1	108.0840	1.069	2	108.8980	2.522	3	110.4560	1.427	146	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,6a]	H	3:4:4:1:	3:3:4:	4:	N[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CCHH)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]CH)	H(C[5]N[5,6a]C[5]C)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CCHH)(H){1|O<1>,3|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]CH){2|C<3>,4|H<1>}	H(C[5]N[5,6a]C[5]C)	107.3530	0.000	1	107.3530	0.000	1	108.0840	1.069	2	108.8980	2.522	3	110.4560	1.427	146	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5,6a]	H	3:4:4:1:	3:4:3:	4:	N[5,6a]-3:C[5,5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CHHO)(H)	N[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]N[6a]O)	H(C[5]N[5,6a]C[5,5]C)	C[5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CHHO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	N[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]N[6a]O){1|C<3>,2|O<2>,4|H<1>}	H(C[5]N[5,6a]C[5,5]C)	109.5120	0.000	1	109.5120	0.000	1	109.5120	0.000	1	109.5120	0.000	1	110.4560	1.427	146	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:2:2:1:	3:3:4:	4:	N[5a]-3:S[5]-2:S[5]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(S[5]C[5])2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]S[5]2H)	H(C[5]N[5a]S[5]2)	C[5](N[5a]C[5a,6a]C[5a])(S[5]C[5])2(H){1|N<2>,2|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]S[5]2H){1|H<1>,2|C<3>,2|C<4>}	H(C[5]N[5a]S[5]2)	107.4400	0.000	1	107.4400	0.000	1	107.4400	0.000	1	107.4400	0.000	1	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:3:2:1:	3:4:3:	4:	C[5,6a]-3:N[5a]-3:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[5a])(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]O[5]H)(C[5a]C[6a]N[5a])	H(C[5]C[5,6a]N[5a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[5a])(O[5]C[5])(H){1|H<1>,1|N<2>,1|O<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]O[5]H)(C[5a]C[6a]N[5a]){1|H<1>,7|C<3>}	H(C[5]C[5,6a]N[5a]O[5])	109.1870	0.000	1	109.1870	0.000	1	109.1870	0.000	1	109.1870	0.000	1	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:3:3:1:	4:3:3:	4:	N[5]-3:C[5]-3:N[5a]-3:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5]-4:	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]C)(N[5a]C[5a]2)(H)	N[5a](C[5]C[5]N[5]H)(C[5a]C[5a]C)(C[5a]C[5a]H)	H(C[5]N[5a]C[5]N[5])	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]C)(N[5a]C[5a]2)(H){1|H<1>,1|N<2>,6|C<3>}	N[5a](C[5]C[5]N[5]H)(C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>,4|C<3>}	H(C[5]N[5a]C[5]N[5])	110.2610	0.000	1	110.2610	0.000	1	110.2610	0.000	1	110.2610	0.000	1	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:3:4:1:	3:3:4:	4:	N[5a]-3:N[5]-3:C[5]-4:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5]-4:	C[5]-4:	C[5](N[5a]C[5a,6a]2)(N[5]C[6a]C[5])(C[5]C[5]CC)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[5]C[5]N[5]H)	H(C[5]N[5a]C[5]N[5])	C[5](N[5a]C[5a,6a]2)(N[5]C[6a]C[5])(C[5]C[5]CC)(H){2|C<4>,2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[5]C[5]N[5]H){2|H<1>,4|C<4>,5|C<3>}	H(C[5]N[5a]C[5]N[5])	107.3120	0.000	1	107.3120	0.000	1	107.3120	0.000	1	107.2950	0.001	2	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:3:4:1:	3:3:4:	4:	N[5a]-3:N[5]-3:C[5]-4:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(N[5]C[6a]C[5])(C[5]C[5]CC)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[5]N[5]H)	H(C[5]N[5a]C[5]N[5])	C[5](N[5a]C[5a,6a]C[5a])(N[5]C[6a]C[5])(C[5]C[5]CC)(H){1|N<2>,2|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[5]N[5]H){1|H<1>,4|C<4>,5|C<3>}	H(C[5]N[5a]C[5]N[5])	107.2780	0.000	1	107.2780	0.000	1	107.2780	0.000	1	107.2950	0.001	2	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:3:4:1:	3:4:2:	4:	C[5,6a]-3:N[5a]-3:C[5]-4:H-1:	C[5a,6a]-3:C[5]-4:N[5a]-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[5]C[5]FH)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(N[5a]N[5a])	H(C[5]C[5,6a]N[5a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[5]C[5]FH)(H){1|N<2>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(N[5a]N[5a]){1|C<4>,1|F<1>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]N[5a]C[5])	107.9100	0.000	1	107.9100	0.000	1	107.9100	0.000	1	107.9100	0.000	1	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:3:4:1:	3:4:3:	4:	C[5,5a]-3:N[5a]-3:C[5]-4:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(N[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5a]C[5]H)(C[5a]C[5a]H)	H(C[5]C[5,5a]N[5a]C[5])	C[5](C[5,5a]C[5a,6a]C[5,5a])(N[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5]H)(H){1|H<1>,1|N<3>,9|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5a]C[5]H)(C[5a]C[5a]H){2|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5,5a]N[5a]C[5])	109.5380	0.000	1	109.5380	0.000	1	109.5380	0.000	1	108.8056	4.601	5	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:N[5a]-3:C[5]-4:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[5]C[5]CC)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5a]C[5a]H)	H(C[5]C[5,6a]N[5a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[5]C[5]CC)(H){2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5a]C[5a]H){2|H<1>,7|C<3>}	H(C[5]C[5,6a]N[5a]C[5])	108.7850	0.000	1	108.7850	0.000	1	109.7767	0.874	3	108.8056	4.601	5	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:N[5a]-3:C[5]-4:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5a]N[5a]H)	H(C[5]C[5,6a]N[5a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(H){1|N<2>,4|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5a]N[5a]H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>,2|N<2>}	H(C[5]C[5,6a]N[5a]C[5])	110.2725	0.523	2	110.2725	0.273	2	109.7767	0.874	3	108.8056	4.601	5	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:3:4:1:	3:4:3:	4:	N[5a]-3:N[5]-3:C[5]-4:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(N[5]C[6a]C[5])(C[5]C[5]HH)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]C[5a]C)	H(C[5]N[5a]C[5]N[5])	C[5](N[5a]C[5a,6a]C[5a])(N[5]C[6a]C[5])(C[5]C[5]HH)(H){1|C<4>,4|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]C[5a]C){3|C<3>,3|C<4>,3|H<1>}	H(C[5]N[5a]C[5]N[5])	105.1600	0.000	1	105.1600	0.000	1	105.1600	0.000	1	108.8056	4.601	5	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:2:1:	3:3:4:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6]HO)(O[5]C[5,6])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N[5a])(C[5]C[5]O[5]H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6]HO)(O[5]C[5,6])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N[5a])(C[5]C[5]O[5]H){1|H<1>,2|C<4>,2|O<2>,3|C<3>}	H(C[5]N[5a]C[5]O[5])	107.7020	0.682	2	107.7020	0.465	2	108.3967	0.885	21	108.3967	0.885	21	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:2:1:	3:3:4:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[5]C[5]O[5]H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[5]C[5]O[5]H){2|C<4>,2|H<1>,4|C<3>}	H(C[5]N[5a]C[5]O[5])	107.3630	0.510	6	108.4044	0.865	18	108.3967	0.885	21	108.3967	0.885	21	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:2:1:	3:3:4:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[5]C[5]O[5]H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[5]C[5]O[5]H){2|C<4>,2|H<1>,4|C<3>}	H(C[5]N[5a]C[5]O[5])	108.9251	0.576	12	108.4044	0.865	18	108.3967	0.885	21	108.3967	0.885	21	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:2:1:	3:3:4:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[5]C[5]O[5]H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[5]C[5]O[5]H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	H(C[5]N[5a]C[5]O[5])	109.6470	0.000	1	109.6470	0.000	1	108.3967	0.885	21	108.3967	0.885	21	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:2:1:	3:4:2:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:N[5a]-2:	C[5]-4:	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]FH)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]FH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){1|Br<1>,1|F<1>,1|H<1>,2|C<3>,2|C<4>}	H(C[5]N[5a]C[5]O[5])	109.2400	0.000	1	109.2400	0.000	1	109.1315	0.208	18	109.2147	0.216	22	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:2:1:	3:4:2:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:N[5a]-2:	C[5]-4:	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){2|C<3>,2|C<4>,4|H<1>}	H(C[5]N[5a]C[5]O[5])	109.0690	0.000	1	109.0690	0.000	1	109.1315	0.208	18	109.2147	0.216	22	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:2:1:	3:4:2:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:N[5a]-2:	C[5]-4:	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(N[5a]N[5a])	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(N[5a]N[5a]){1|N<3>,2|C<4>,2|H<1>,2|N<2>}	H(C[5]N[5a]C[5]O[5])	109.8650	0.000	1	109.8650	0.000	1	109.1315	0.208	18	109.2147	0.216	22	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:2:1:	3:4:2:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:N[5a]-2:	C[5]-4:	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]N[5a]C[5]O[5])	109.6140	0.778	2	109.1709	0.330	8	109.1315	0.208	18	109.2147	0.216	22	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:2:1:	3:4:2:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:N[5a]-2:	C[5]-4:	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){1|I<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]N[5a]C[5]O[5])	109.9490	0.000	1	109.1709	0.330	8	109.1315	0.208	18	109.2147	0.216	22	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:2:1:	3:4:2:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:N[5a]-2:	C[5]-4:	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){2|C<3>,2|C<4>,3|H<1>}	H(C[5]N[5a]C[5]O[5])	108.7968	0.198	4	109.1709	0.330	8	109.1315	0.208	18	109.2147	0.216	22	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:2:1:	3:4:2:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:N[5a]-2:	C[5]-4:	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	H(C[5]N[5a]C[5]O[5])	109.0030	0.000	1	109.1709	0.330	8	109.1315	0.208	18	109.2147	0.216	22	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:2:1:	3:4:2:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:N[5a]-2:	C[5]-4:	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]N[5a]C[5]O[5])	109.1050	0.000	1	109.1050	0.000	1	109.1315	0.208	18	109.2147	0.216	22	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:2:1:	3:4:2:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:N[5a]-2:	C[5]-4:	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){1|C<2>,1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]N[5a]C[5]O[5])	108.9220	0.000	1	108.8893	0.038	4	109.1315	0.208	18	109.2147	0.216	22	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:2:1:	3:4:2:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:N[5a]-2:	C[5]-4:	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){1|C<3>,1|N<2>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]N[5a]C[5]O[5])	108.8783	0.239	3	108.8893	0.038	4	109.1315	0.208	18	109.2147	0.216	22	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:2:1:	3:4:2:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:N[5a]-2:	C[5]-4:	C[5](N[5a]C[5a,6a]N[5a])(C[5]O[5]CH)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(N[5a]N[5a])	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]N[5a])(C[5]O[5]CH)(O[5]C[5])(H){1|N<2>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(N[5a]N[5a]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]N[5a]C[5]O[5])	109.0820	0.556	2	109.0820	0.309	2	109.1315	0.208	18	109.2147	0.216	22	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:2:1:	3:4:2:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a]-3:C[5]-4:N[5a]-2:	C[5]-4:	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H)	N[5a](C[5a]C[5a,6a]H)(C[5]C[5]O[5]H)(N[5a]C[5a,6a])	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a,6a]H)(C[5]C[5]O[5]H)(N[5a]C[5a,6a]){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	H(C[5]N[5a]C[5]O[5])	109.5130	0.000	1	109.5130	0.000	1	109.5890	0.106	4	109.2147	0.216	22	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:2:1:	3:4:2:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a]-3:C[5]-4:N[5a]-2:	C[5]-4:	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H)	N[5a](C[5a]C[5a,6a]H)(C[5]C[5]O[5]H)(N[5a]C[5a,6a])	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a,6a]H)(C[5]C[5]O[5]H)(N[5a]C[5a,6a]){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	H(C[5]N[5a]C[5]O[5])	109.6830	0.000	1	109.6143	0.155	3	109.5890	0.106	4	109.2147	0.216	22	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:2:1:	3:4:2:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a]-3:C[5]-4:N[5a]-2:	C[5]-4:	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H)	N[5a](C[5a]C[5a,6a]H)(C[5]C[5]O[5]H)(N[5a]C[5a,6a])	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a,6a]H)(C[5]C[5]O[5]H)(N[5a]C[5a,6a]){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]N[5a]C[5]O[5])	109.5800	0.550	2	109.6143	0.155	3	109.5890	0.106	4	109.2147	0.216	22	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:2:1:	3:4:3:	4:	N[5a]-3:C[4,5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[4,5]C[4,5]C[4]F)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[4,5]O[5]H)(C[5a]N[5a]H)	H(C[5]C[4,5]N[5a]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[4,5]C[4,5]C[4]F)(O[5]C[5])(H){1|C<3>,2|C<4>,2|N<2>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[4,5]O[5]H)(C[5a]N[5a]H){1|F<1>,2|C<3>,3|C<4>}	H(C[5]C[4,5]N[5a]O[5])	109.3060	0.000	1	109.3060	0.000	1	108.8963	0.148	3	109.0695	0.566	82	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:2:1:	3:4:3:	4:	N[5a]-3:C[4,5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[4,5]C[4,5]C[4]H)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[4,5]O[5]H)(C[5a]N[5a]H)	H(C[5]C[4,5]N[5a]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[4,5]C[4,5]C[4]H)(O[5]C[5])(H){1|C<3>,2|C<4>,2|N<2>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[4,5]O[5]H)(C[5a]N[5a]H){1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[4,5]N[5a]O[5])	108.5420	0.000	1	108.6915	0.045	2	108.8963	0.148	3	109.0695	0.566	82	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:2:1:	3:4:3:	4:	N[5a]-3:C[4,5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[4,5]C[4,5]C[4]H)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[4,5]O[5]H)(C[5a]N[5a]H)	H(C[5]C[4,5]N[5a]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[4,5]C[4,5]C[4]H)(O[5]C[5])(H){1|C<4>,2|C<3>,2|N<2>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[4,5]O[5]H)(C[5a]N[5a]H){1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[4,5]N[5a]O[5])	108.8410	0.000	1	108.6915	0.045	2	108.8963	0.148	3	109.0695	0.566	82	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:2:1:	3:4:3:	4:	N[5a]-3:C[5,5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5,5]O[5]H)(C[5a]N[5a]H)	H(C[5]C[5,5]N[5a]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5,5]C[5,5]O[5]H)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|N<2>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5,5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]C[5,5]N[5a]O[5])	109.1640	0.000	1	109.1640	0.000	1	109.1640	0.000	1	109.0695	0.566	82	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:2:1:	3:4:3:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5,6]HO)(O[5]C[5,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5,6]HO)(O[5]C[5,6])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]N[5a]C[5]O[5])	109.0240	0.000	1	109.0240	0.000	1	108.8029	2.378	9	109.0695	0.566	82	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:2:1:	3:4:3:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]O[5]H)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	H(C[5]N[5a]C[5]O[5])	109.4325	0.936	2	109.4325	0.875	2	108.8029	2.378	9	109.0695	0.566	82	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:2:1:	3:4:3:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[5]N[5a]C[5]O[5])	110.1730	0.000	1	108.5562	3.389	6	108.8029	2.378	9	109.0695	0.566	82	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:2:1:	3:4:3:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]N[5a]C[5]O[5])	107.6227	2.332	3	108.5562	3.389	6	108.8029	2.378	9	109.0695	0.566	82	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:2:1:	3:4:3:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|O<2>,2|C<3>,2|N<2>,3|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]N[5a]C[5]O[5])	109.1480	0.369	2	108.5562	3.389	6	108.8029	2.378	9	109.0695	0.566	82	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:2:1:	3:4:3:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,5]HO)(O[5]C[5,5])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]Cl)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]Cl){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]N[5a]C[5]O[5])	109.2790	0.000	1	109.2790	0.000	1	109.1305	0.375	67	109.0695	0.566	82	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:2:1:	3:4:3:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6]HO)(O[5]C[5,6])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6]HO)(O[5]C[5,6])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]N[5a]C[5]O[5])	109.7960	0.000	1	109.7960	0.000	1	109.1305	0.375	67	109.0695	0.566	82	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:2:1:	3:4:3:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]CF)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]CF)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|F<1>,2|C<3>,3|C<4>}	H(C[5]N[5a]C[5]O[5])	109.0410	0.000	1	109.0410	0.000	1	109.1305	0.375	67	109.0695	0.566	82	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:2:1:	3:4:3:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|F<1>,1|H<1>,1|I<1>,2|C<3>,2|C<4>}	H(C[5]N[5a]C[5]O[5])	109.3990	0.000	1	109.2925	0.023	2	109.1305	0.375	67	109.0695	0.566	82	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:2:1:	3:4:3:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|H<1>,2|C<3>,2|C<4>,2|F<1>}	H(C[5]N[5a]C[5]O[5])	109.1860	0.000	1	109.2925	0.023	2	109.1305	0.375	67	109.0695	0.566	82	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:2:1:	3:4:3:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|F<1>,1|H<1>,2|C<3>,2|C<4>}	H(C[5]N[5a]C[5]O[5])	108.9310	0.000	1	108.9310	0.000	1	109.1305	0.375	67	109.0695	0.566	82	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:2:1:	3:4:3:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]N)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]N){1|F<1>,1|H<1>,2|C<3>,2|C<4>}	H(C[5]N[5a]C[5]O[5])	109.1390	0.000	1	109.1390	0.000	1	109.1305	0.375	67	109.0695	0.566	82	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:2:1:	3:4:3:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|F<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]N[5a]C[5]O[5])	109.5870	0.000	1	109.5870	0.000	1	109.1305	0.375	67	109.0695	0.566	82	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:2:1:	3:4:3:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|I<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]N[5a]C[5]O[5])	109.7170	0.000	1	109.7170	0.000	1	109.1305	0.375	67	109.0695	0.566	82	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:2:1:	3:4:3:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]N[5a]C[5]O[5])	107.9750	0.000	1	108.7880	1.322	2	109.1305	0.375	67	109.0695	0.566	82	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:2:1:	3:4:3:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]N[5a]C[5]O[5])	109.6010	0.000	1	108.7880	1.322	2	109.1305	0.375	67	109.0695	0.566	82	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:2:1:	3:4:3:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]N[5a]C[5]O[5])	108.4490	0.000	1	109.1717	0.134	14	109.1305	0.375	67	109.0695	0.566	82	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:2:1:	3:4:3:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]N[5a]C[5]O[5])	109.0310	0.709	2	109.1717	0.134	14	109.1305	0.375	67	109.0695	0.566	82	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:2:1:	3:4:3:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]N[5a]C[5]O[5])	109.2480	0.000	1	109.1717	0.134	14	109.1305	0.375	67	109.0695	0.566	82	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:2:1:	3:4:3:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|F<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]N[5a]C[5]O[5])	109.1950	0.000	1	109.1717	0.134	14	109.1305	0.375	67	109.0695	0.566	82	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:2:1:	3:4:3:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|I<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]N[5a]C[5]O[5])	108.9200	0.000	1	109.1717	0.134	14	109.1305	0.375	67	109.0695	0.566	82	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:2:1:	3:4:3:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){2|C<3>,2|C<4>,3|H<1>}	H(C[5]N[5a]C[5]O[5])	109.2500	0.181	7	109.1717	0.134	14	109.1305	0.375	67	109.0695	0.566	82	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:2:1:	3:4:3:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){2|C<3>,2|H<1>,3|C<4>}	H(C[5]N[5a]C[5]O[5])	109.7800	0.000	1	109.1717	0.134	14	109.1305	0.375	67	109.0695	0.566	82	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:2:1:	3:4:3:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|I<1>,2|N<2>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	H(C[5]N[5a]C[5]O[5])	109.6140	0.000	1	108.9208	0.710	12	109.1305	0.375	67	109.0695	0.566	82	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:2:1:	3:4:3:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	H(C[5]N[5a]C[5]O[5])	109.0992	0.469	9	108.9208	0.710	12	109.1305	0.375	67	109.0695	0.566	82	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:2:1:	3:4:3:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,2|N<2>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	H(C[5]N[5a]C[5]O[5])	106.6220	0.000	1	108.9208	0.710	12	109.1305	0.375	67	109.0695	0.566	82	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:2:1:	3:4:3:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,2|N<2>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	H(C[5]N[5a]C[5]O[5])	108.9210	0.000	1	108.9208	0.710	12	109.1305	0.375	67	109.0695	0.566	82	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:2:1:	3:4:3:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]S[5a]O)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,1|S<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]S[5a]O){2|C<3>,2|C<4>,2|H<1>}	H(C[5]N[5a]C[5]O[5])	108.6330	0.000	1	108.6330	0.000	1	109.1305	0.375	67	109.0695	0.566	82	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:2:1:	3:4:3:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|I<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]N[5a]C[5]O[5])	109.4930	0.000	1	108.9330	0.627	2	109.1305	0.375	67	109.0695	0.566	82	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:2:1:	3:4:3:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){2|C<3>,2|C<4>,3|H<1>}	H(C[5]N[5a]C[5]O[5])	108.3730	0.000	1	108.9330	0.627	2	109.1305	0.375	67	109.0695	0.566	82	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:2:1:	3:4:3:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HN)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HN)(O[5]C[5])(H){1|C<3>,1|O<2>,2|N<2>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[5]N[5a]C[5]O[5])	109.0820	0.000	1	109.0820	0.000	1	109.1305	0.375	67	109.0695	0.566	82	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:2:1:	3:4:3:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[3,5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[3,5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]N[5a]C[5]O[5])	108.7840	0.000	1	108.7840	0.000	1	109.1305	0.375	67	109.0695	0.566	82	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:2:1:	3:4:3:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]N[5a]C[5]O[5])	106.8610	0.000	1	106.8610	0.000	1	109.1305	0.375	67	109.0695	0.566	82	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:2:1:	3:4:3:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]O)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]N[5a]C[5]O[5])	108.4920	0.000	1	108.4920	0.000	1	109.1305	0.375	67	109.0695	0.566	82	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:2:1:	3:4:3:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|F<1>,1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]N[5a]C[5]O[5])	109.0750	0.000	1	109.2687	0.034	3	109.1305	0.375	67	109.0695	0.566	82	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:2:1:	3:4:3:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|H<1>,1|I<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]N[5a]C[5]O[5])	109.4430	0.000	1	109.2687	0.034	3	109.1305	0.375	67	109.0695	0.566	82	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:2:1:	3:4:3:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]N[5a]C[5]O[5])	109.2880	0.000	1	109.2687	0.034	3	109.1305	0.375	67	109.0695	0.566	82	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:2:1:	3:4:3:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]C)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]C){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]N[5a]C[5]O[5])	109.2720	0.000	1	109.2720	0.000	1	109.1305	0.375	67	109.0695	0.566	82	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:2:1:	3:4:3:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[5]N[5a]C[5]O[5])	108.9690	0.000	1	109.4106	0.192	18	109.1305	0.375	67	109.0695	0.566	82	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:2:1:	3:4:3:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]N[5a]C[5]O[5])	109.4092	0.466	14	109.4106	0.192	18	109.1305	0.375	67	109.0695	0.566	82	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:2:1:	3:4:3:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,2|N<2>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]N[5a]C[5]O[5])	109.8060	0.000	1	109.4106	0.192	18	109.1305	0.375	67	109.0695	0.566	82	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:2:1:	3:4:3:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|O<2>,2|N<2>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]N[5a]C[5]O[5])	109.4435	0.288	2	109.4106	0.192	18	109.1305	0.375	67	109.0695	0.566	82	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:2:1:	3:4:3:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|H<1>,1|I<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]N[5a]C[5]O[5])	108.4490	0.000	1	108.4490	0.000	1	109.1305	0.375	67	109.0695	0.566	82	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:2:1:	3:4:3:	4:	N[5a]-3:C[5]-4:Se[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]CO)(Se[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]Se[5]C[5]H)(C[5a]N[5a]H)	H(C[5]N[5a]Se[5]C[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]CO)(Se[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]Se[5]C[5]H)(C[5a]N[5a]H){1|O<2>,2|C<3>,3|C<4>}	H(C[5]N[5a]Se[5]C[5])	108.4415	0.112	2	108.4415	0.013	2	108.4415	0.013	2	109.0695	0.566	82	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:2:1:	4:3:2:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5a]-3:N[5a]-2:	C[5]-4:	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H)	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(N[5a]N[5a])	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(N[5a]N[5a]){1|C<3>,2|C<4>,2|H<1>}	H(C[5]N[5a]C[5]O[5])	109.3948	0.695	4	109.3948	0.483	4	109.6632	0.661	9	109.6632	0.661	9	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:2:1:	4:3:2:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5a]-3:N[5a]-2:	C[5]-4:	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H)	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(N[5a]N[5a])	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,1|O<2>,3|C<4>}	H(C[5]N[5a]C[5]O[5])	109.6430	0.000	1	109.6430	0.000	1	109.6632	0.661	9	109.6632	0.661	9	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:2:1:	4:3:2:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5a]-3:N[5a]-2:	C[5]-4:	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H)	N[5a](C[5]C[5]O[5]H)(C[5a]N[5a]C)(N[5a]C[5a])	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5]C[5]O[5]H)(C[5a]N[5a]C)(N[5a]C[5a]){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[5]N[5a]C[5]O[5])	110.2580	0.000	1	110.2580	0.000	1	109.6632	0.661	9	109.6632	0.661	9	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:2:1:	4:3:2:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5a]-3:N[5a]-2:	C[5]-4:	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H)	N[5a](C[5]C[5]O[5]H)(C[5a]N[5a]H)(N[5a]C[5a])	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	N[5a](C[5]C[5]O[5]H)(C[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5]N[5a]C[5]O[5])	109.8297	1.248	3	109.8297	1.557	3	109.6632	0.661	9	109.6632	0.661	9	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:2:1:	4:3:3:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5]-4:	C[5](N[5a]C[5a]2)(C[5]C[5]HH)(O[5]C[5])(H)	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(C[5a]N[5a]H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(C[5a]N[5a]H){2|C<4>,3|H<1>}	H(C[5]N[5a]C[5]O[5])	109.3010	0.000	1	109.3010	0.000	1	109.0290	0.033	4	109.0290	0.033	4	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:2:1:	4:3:3:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5]-4:	C[5](N[5a]C[5a]2)(C[5]C[5]HH)(O[5]C[5])(H)	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]N)(C[5a]N[5a]H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]N)(C[5a]N[5a]H){2|H<1>,3|C<4>}	H(C[5]N[5a]C[5]O[5])	108.9335	0.015	2	108.9335	0.000	2	109.0290	0.033	4	109.0290	0.033	4	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:2:1:	4:3:3:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5]-4:	C[5](N[5a]C[5a]2)(C[5]C[5]HO)(O[5]C[5])(H)	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]N)(C[5a]N[5a]H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]N)(C[5a]N[5a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5]N[5a]C[5]O[5])	108.9480	0.000	1	108.9480	0.000	1	109.0290	0.033	4	109.0290	0.033	4	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:3:1:	3:3:4:	4:	N[5a]-3:C[5]-4:C[5]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]C)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	H(C[5]N[5a]C[5]2)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H){2|C<4>,2|H<1>,3|C<3>}	H(C[5]N[5a]C[5]2)	108.2085	0.762	2	108.2085	0.580	2	108.0750	3.223	6	108.3224	2.512	8	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:3:1:	3:3:4:	4:	N[5a]-3:C[5]-4:C[5]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	H(C[5]N[5a]C[5]2)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]H)(H){1|C<3>,1|C<4>,2|N<2>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|C<4>,3|C<3>,3|H<1>}	H(C[5]N[5a]C[5]2)	109.1430	0.000	1	107.0825	8.491	2	108.0750	3.223	6	108.3224	2.512	8	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:3:1:	3:3:4:	4:	N[5a]-3:C[5]-4:C[5]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	H(C[5]N[5a]C[5]2)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]H)(H){1|C<3>,1|O<2>,2|N<2>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|C<4>,3|C<3>,3|H<1>}	H(C[5]N[5a]C[5]2)	105.0220	0.000	1	107.0825	8.491	2	108.0750	3.223	6	108.3224	2.512	8	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:3:1:	3:3:4:	4:	N[5a]-3:C[5]-4:C[5]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(C[5]C[5]C)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[5]C[5]2H)	H(C[5]N[5a]C[5]2)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(C[5]C[5]C)(H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[5]C[5]2H){1|Cl<1>,1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[5]N[5a]C[5]2)	107.5990	0.000	1	107.5990	0.000	1	108.0750	3.223	6	108.3224	2.512	8	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:3:1:	3:3:4:	4:	N[5a]-3:C[5]-4:C[5]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]O[5]HH)(C[5]C[5]C)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	H(C[5]N[5a]C[5]2)	C[5](N[5a]C[5a,6a]C[5a])(C[5]O[5]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]N[5a]C[5]2)	110.2690	0.000	1	110.2690	0.000	1	108.0750	3.223	6	108.3224	2.512	8	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:3:1:	3:3:4:	4:	N[5a]-3:C[5]-4:C[5]-3:H-1:	C[5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](N[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[5]C[5]2H)	H(C[5]N[5a]C[5]2)	C[5](N[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]C)(H){1|O<1>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[5]C[5]2H){1|C<4>,1|S<2>,2|C<3>,3|H<1>}	H(C[5]N[5a]C[5]2)	109.0600	0.000	1	109.0600	0.000	1	109.0600	0.000	1	108.3224	2.512	8	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:3:1:	3:3:4:	4:	N[5a]-3:C[5]-4:N[5]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(N[5]C[5]S)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[5]C[5]N[5]H)	H(C[5]N[5a]C[5]N[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(N[5]C[5]S)(H){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[5]C[5]N[5]H){1|S<4>,4|H<1>,6|C<3>}	H(C[5]N[5a]C[5]N[5])	109.0690	0.000	1	109.0690	0.000	1	109.0690	0.000	1	108.3224	2.512	8	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:3:1:	3:4:3:	4:	N[5a]-3:C[5]-4:N[5]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(N[5]C[5]S)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]C[5a]H)	H(C[5]N[5a]C[5]N[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(N[5]C[5]S)(H){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]C[5a]H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	H(C[5]N[5a]C[5]N[5])	108.9100	0.000	1	108.8900	0.001	2	108.8900	0.001	2	108.8900	0.001	2	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:3:1:	3:4:3:	4:	N[5a]-3:C[5]-4:N[5]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(N[5]C[5]S)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]C[5a]H)	H(C[5]N[5a]C[5]N[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(N[5]C[5]S)(H){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]C[5a]H){1|S<4>,4|C<3>,4|H<1>}	H(C[5]N[5a]C[5]N[5])	108.8700	0.000	1	108.8900	0.001	2	108.8900	0.001	2	108.8900	0.001	2	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:3:1:	4:2:2:	4:	N[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5a]-2:N[5a]-2:	C[5]-4:	C[5](N[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]H)(H)	N[5a](C[5]C[5]N[5]H)(N[5a]C[5a])2	H(C[5]N[5a]C[5]N[5])	C[5](N[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]H)(H){1|O<1>,2|C<3>,2|H<1>}	N[5a](C[5]C[5]N[5]H)(N[5a]C[5a])2{1|C<4>,2|C<3>,4|H<1>}	H(C[5]N[5a]C[5]N[5])	110.4150	0.000	1	110.4150	0.000	1	110.4150	0.000	1	110.4150	0.000	1	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:4:1:	3:3:4:	4:	N[5a]-3:C[5]-4:C[5]-4:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6a]HH)2(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	H(C[5]N[5a]C[5]2)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6a]HH)2(H){1|H<1>,2|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H){4|C<3>,4|H<1>}	H(C[5]N[5a]C[5]2)	108.2925	0.049	2	108.2925	0.002	2	108.4221	0.938	11	108.4221	0.938	11	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:4:1:	3:3:4:	4:	N[5a]-3:C[5]-4:C[5]-4:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]N[5]CH)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	H(C[5]N[5a]C[5]2)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]N[5]CH)(H){1|S<4>,2|C<3>,2|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[5]N[5a]C[5]2)	107.5620	0.000	1	107.5620	0.000	1	108.4221	0.938	11	108.4221	0.938	11	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:4:1:	3:3:4:	4:	N[5a]-3:C[5]-4:C[5]-4:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FF)(C[5]C[5]HO)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	H(C[5]N[5a]C[5]2)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FF)(C[5]C[5]HO)(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|H<1>,1|O<2>,2|C<3>,2|C<4>,2|F<1>}	H(C[5]N[5a]C[5]2)	108.3260	0.717	2	108.3260	0.514	2	108.4221	0.938	11	108.4221	0.938	11	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:4:1:	3:3:4:	4:	N[5a]-3:C[5]-4:C[5]-4:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]N[5]HH)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	H(C[5]N[5a]C[5]2)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<3>,2|C<4>,2|N<2>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|C<4>,1|N<4>,2|C<3>,4|H<1>}	H(C[5]N[5a]C[5]2)	107.7970	0.000	1	107.7970	0.000	1	108.4221	0.938	11	108.4221	0.938	11	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:4:1:	3:3:4:	4:	N[5a]-3:C[5]-4:C[5]-4:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]O[5]CH)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	H(C[5]N[5a]C[5]2)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]O[5]CH)(H){1|C<3>,2|N<2>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]N[5a]C[5]2)	109.8285	0.419	2	109.8285	0.176	2	108.4221	0.938	11	108.4221	0.938	11	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:4:1:	3:3:4:	4:	N[5a]-3:C[5]-4:C[5]-4:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)2(H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]S)(C[5]C[5]2H)	H(C[5]N[5a]C[5]2)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)2(H){1|C<3>,1|N<2>,1|N<3>,1|S<2>,4|H<1>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]S)(C[5]C[5]2H){2|C<3>,2|C<4>,5|H<1>}	H(C[5]N[5a]C[5]2)	107.3770	0.000	1	107.3770	0.000	1	108.4221	0.938	11	108.4221	0.938	11	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:4:1:	3:3:4:	4:	N[5a]-3:C[5]-4:C[5]-4:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(C[5]O[5]HH)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	H(C[5]N[5a]C[5]2)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	H(C[5]N[5a]C[5]2)	109.6110	0.000	1	109.6110	0.000	1	108.4221	0.938	11	108.4221	0.938	11	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:4:1:	3:3:4:	4:	N[5a]-3:C[5]-4:C[5]-4:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HS)(C[5]N[5]CH)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	H(C[5]N[5a]C[5]2)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HS)(C[5]N[5]CH)(H){1|S<4>,2|C<3>,2|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	H(C[5]N[5a]C[5]2)	107.4020	0.000	1	107.4020	0.000	1	108.4221	0.938	11	108.4221	0.938	11	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:4:1:	3:4:2:	4:	N[5a]-3:C[5]-4:C[5]-4:H-1:	C[5a]-3:C[5]-4:N[5a]-2:	C[5]-4:	C[5](N[5a]C[5a]N[5a])(C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)	N[5a](C[5a]C[5a]H)(C[5]C[5]2H)(N[5a]N[5a])	H(C[5]N[5a]C[5]2)	C[5](N[5a]C[5a]N[5a])(C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5]C[5]2H)(N[5a]N[5a]){1|O<2>,3|C<3>,3|H<1>}	H(C[5]N[5a]C[5]2)	107.6630	0.000	1	107.6630	0.000	1	108.9533	0.823	6	108.9533	0.823	6	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:4:1:	3:4:2:	4:	N[5a]-3:C[5]-4:C[5]-4:H-1:	C[5a]-3:C[5]-4:N[5a]-2:	C[5]-4:	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]O[5]HH)(H)	N[5a](C[5a]C[5a]N)(C[5]C[5]2H)(N[5a]C[5a])	H(C[5]N[5a]C[5]2)	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]O[5]HH)(H){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]N)(C[5]C[5]2H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[5]N[5a]C[5]2)	109.5162	0.293	4	109.5162	0.086	4	108.9533	0.823	6	108.9533	0.823	6	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:4:1:	3:4:2:	4:	N[5a]-3:C[5]-4:C[5]-4:H-1:	C[5a]-3:C[5]-4:N[5a]-2:	C[5]-4:	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HH)2(H)	N[5a](C[5a]C[5a]H)(C[5]C[5]2H)(N[5a]C[5a])	H(C[5]N[5a]C[5]2)	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HH)2(H){1|S<4>,2|C<3>,4|H<1>}	N[5a](C[5a]C[5a]H)(C[5]C[5]2H)(N[5a]C[5a]){2|C<4>,6|H<1>}	H(C[5]N[5a]C[5]2)	107.9920	0.000	1	107.9920	0.000	1	108.9533	0.823	6	108.9533	0.823	6	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:4:1:	3:4:3:	4:	N[5a]-3:C[3,5]-4:C[5]-4:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[3,5]C[5]H)(C[5a]N[5a]H)	H(C[5]C[3,5]N[5a]C[5])	C[5](N[5a]C[5a,6a]C[5a])(C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|N<2>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[3,5]C[5]H)(C[5a]N[5a]H){2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[3,5]N[5a]C[5])	109.9740	0.000	1	109.9740	0.000	1	110.1690	0.031	3	109.8180	0.325	5	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:4:1:	3:4:3:	4:	N[5a]-3:C[3,5]-4:C[5]-4:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[3,5]C[3,5]C[3]H)(C[5]C[5]HO)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[3,5]C[5]H)(C[5a]N[5a]H)	H(C[5]C[3,5]N[5a]C[5])	C[5](N[5a]C[5a,6a]C[5a])(C[3,5]C[3,5]C[3]H)(C[5]C[5]HO)(H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[3,5]C[5]H)(C[5a]N[5a]H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[3,5]N[5a]C[5])	110.2665	0.073	2	110.2665	0.005	2	110.1690	0.031	3	109.8180	0.325	5	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	3:4:4:1:	3:4:3:	4:	N[5a]-3:C[5,5]-4:C[5]-4:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5,5]C[5]H)(C[5a]N[5a]H)	H(C[5]C[5,5]N[5a]C[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,2|N<2>,2|O<2>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5,5]C[5]H)(C[5a]N[5a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]N[5a]C[5])	109.2915	0.559	2	109.2915	0.313	2	109.2915	0.313	2	109.8180	0.325	5	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	4:3:2:1:	3:4:3:	4:	C[5,5]-4:N[5a]-3:O[5]-2:H-1:	C[5a,6]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a,6]C[5a])(O[5]C[5])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5,5]O[5]H)(C[5a]N[5a]H)	H(C[5]C[5,5]N[5a]O[5])	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a,6]C[5a])(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|N<2>,3|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5,5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]C[5,5]N[5a]O[5])	109.8330	0.000	1	109.8330	0.000	1	109.8330	0.000	1	109.8330	0.000	1	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	4:3:2:1:	4:3:2:	4:	C[3,5]-4:N[5a]-3:O[5]-2:H-1:	C[5]-4:C[5a]-3:N[5a]-2:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(N[5a]C[5a]N[5a])(O[5]C[5])(H)	N[5a](C[5]C[3,5]O[5]H)(C[5a]C[5a,6a]H)(N[5a]C[5a,6a])	H(C[5]C[3,5]N[5a]O[5])	C[5](C[3,5]C[3,5]O[3]H)(N[5a]C[5a]N[5a])(O[5]C[5])(H){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5]C[3,5]O[5]H)(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	H(C[5]C[3,5]N[5a]O[5])	109.7830	0.197	2	109.7830	0.039	2	109.7830	0.039	2	109.5857	0.136	3	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	4:3:2:1:	4:3:2:	4:	C[5,5]-4:N[5a]-3:O[5]-2:H-1:	C[5]-4:C[5a]-3:N[5a]-2:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a]N[5a])(O[5]C[5])(H)	N[5a](C[5]C[5,5]O[5]H)(C[5a]C[5a]C)(N[5a]N[5a])	H(C[5]C[5,5]N[5a]O[5])	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a]N[5a])(O[5]C[5])(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>,3|C<4>}	N[5a](C[5]C[5,5]O[5]H)(C[5a]C[5a]C)(N[5a]N[5a]){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]N[5a]O[5])	109.1910	0.000	1	109.1910	0.000	1	109.1910	0.000	1	109.5857	0.136	3	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	4:3:2:1:	4:3:3:	4:	C[5,5]-4:N[5a]-3:O[5]-2:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a]2)(O[5]C[5])(H)	N[5a](C[5]C[5,5]O[5]H)(C[5a]C[5a]F)(C[5a]N[5a]H)	H(C[5]C[5,5]N[5a]O[5])	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a]2)(O[5]C[5])(H){1|C<3>,1|F<1>,1|N<2>,1|O<2>,2|C<4>,3|H<1>}	N[5a](C[5]C[5,5]O[5]H)(C[5a]C[5a]F)(C[5a]N[5a]H){1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]N[5a]O[5])	105.1370	0.000	1	105.1370	0.000	1	105.1370	0.000	1	105.1370	0.000	1	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	4:3:3:1:	4:2:2:	4:	C[5,5]-4:N[5a]-3:C[5]-3:H-1:	C[5]-4:N[5a]-2:N[5a]-2:	C[5]-4:	C[5](C[5,5]C[5]N[5]O[5])(N[5a]N[5a]2)(C[5]O[5]O)(H)	N[5a](C[5]C[5,5]C[5]H)(N[5a]C[5a])2	H(C[5]C[5,5]N[5a]C[5])	C[5](C[5,5]C[5]N[5]O[5])(N[5a]N[5a]2)(C[5]O[5]O)(H){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5]C[5,5]C[5]H)(N[5a]C[5a])2{1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|O<2>}	H(C[5]C[5,5]N[5a]C[5])	110.4500	0.000	1	110.4500	0.000	1	110.4500	0.000	1	110.4500	0.000	1	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	4:3:3:1:	4:3:2:	4:	C[5]-4:N[5a]-3:N[5]-3:H-1:	C[5]-4:C[5a]-3:N[5a]-2:	C[5]-4:	C[5](C[5]C[5,6a]N[5a]C)(N[5a]C[5a]N[5a])(N[5]C[5,6a]C)(H)	N[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(N[5a]N[5a])	H(C[5]N[5a]C[5]N[5])	C[5](C[5]C[5,6a]N[5a]C)(N[5a]C[5a]N[5a])(N[5]C[5,6a]C)(H){1|H<1>,2|N<2>,4|C<3>}	N[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(N[5a]N[5a]){1|C<4>,1|N<3>,4|C<3>}	H(C[5]N[5a]C[5]N[5])	109.8290	0.000	1	109.8290	0.000	1	109.8290	0.000	1	109.8290	0.000	1	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	4:3:4:1:	4:3:2:	4:	C[5,5]-4:N[5a]-3:C[5]-4:H-1:	C[5]-4:C[5a]-3:N[5a]-2:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a]N[5a])(C[5]O[5]CH)(H)	N[5a](C[5]C[5,5]C[5]H)(C[5a]C[5a]H)(N[5a]N[5a])	H(C[5]C[5,5]N[5a]C[5])	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a]N[5a])(C[5]O[5]CH)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	N[5a](C[5]C[5,5]C[5]H)(C[5a]C[5a]H)(N[5a]N[5a]){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5,5]N[5a]C[5])	108.6410	0.000	1	108.6410	0.000	1	108.6410	0.000	1	108.6410	0.000	1	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	4:3:4:1:	4:3:3:	4:	C[3,5]-4:N[5a]-3:C[5]-4:H-1:	C[5]-4:C[5a]-3:N[5a]-3:	C[5]-4:	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5a]C[5a]N[5a])(C[5]C[5]CH)(H)	N[5a](C[5]C[3,5]C[5]H)(C[5a]N[5a]O)(N[5a]C[5a]H)	H(C[5]C[3,5]N[5a]C[5])	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5a]C[5a]N[5a])(C[5]C[5]CH)(H){1|N<3>,1|O<1>,4|C<3>,5|H<1>}	N[5a](C[5]C[3,5]C[5]H)(C[5a]N[5a]O)(N[5a]C[5a]H){1|C<3>,1|H<1>,1|O<1>,5|C<4>}	H(C[5]C[3,5]N[5a]C[5])	104.0970	0.000	1	104.0970	0.000	1	104.0970	0.000	1	109.2296	8.247	5	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP2	C[5]	N[5a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:N[5a]-3:C[5]-4:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a]2)(C[5]O[5]HH)(H)	N[5a](C[5]C[5,5]C[5]H)(C[5a]C[5a]H)(C[5a]N[5a]H)	H(C[5]C[5,5]N[5a]C[5])	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a]2)(C[5]O[5]HH)(H){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	N[5a](C[5]C[5,5]C[5]H)(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>,2|O<2>,4|H<1>}	H(C[5]C[5,5]N[5a]C[5])	110.5127	0.137	4	110.5127	0.019	4	110.5127	0.019	4	109.2296	8.247	5	108.9655	1.104	195	110.1419	2.074	640
474	813	951	0:SP3_SP-NON_SP3	C[3x5]	N[5,5a]	H	4:4:3:1:	4:3:3:	4:	C[3x5,6]-4:C[5,5,6]-4:N[5,5a]-3:H-1:	C[3x5]-4:N[5,5a]-3:C[5a]-3:	C[3x5]-4:	C[3x5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5,6]C[5,6]H)(N[5,5a]N[5,5a]C[5a])(H)	N[5,5a](C[3x5]C[3x5,6]C[5,5,6]H)(N[5,5a]C[5a]C[5])(C[5a]N[5a]O)	H(C[3x5]C[3x5,6]C[5,5,6]N[5,5a])	C[3x5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5,6]C[5,6]H)(N[5,5a]N[5,5a]C[5a])(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	N[5,5a](C[3x5]C[3x5,6]C[5,5,6]H)(N[5,5a]C[5a]C[5])(C[5a]N[5a]O){1|H<1>,1|O<1>,2|C<4>,5|C<3>}	H(C[3x5]C[3x5,6]C[5,5,6]N[5,5a])	111.4330	0.000	1	111.4330	0.000	1	111.4330	0.000	1	111.4330	0.000	1	111.4330	0.000	1	110.5956	3.710	8
474	813	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[5,5a,6]	H	3:4:4:1:	3:4:3:	4:	N[5,5a,6]-3:C[5,5]-4:C[5,6]-4:H-1:	N[5,5a,6]-3:C[5,5,6]-4:C[5a]-3:	C[5,5,6]-4:	C[5,5,6](N[5,5a,6]N[5,5a,6]C[5a])(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]HO)(H)	N[5,5a,6](N[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]O)	H(C[5,5,6]N[5,5a,6]C[5,5]C[5,6])	C[5,5,6](N[5,5a,6]N[5,5a,6]C[5a])(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]HO)(H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	N[5,5a,6](N[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]O){1|Si<4>,1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,5,6]N[5,5a,6]C[5,5]C[5,6])	114.8870	0.000	1	114.8870	0.000	1	114.8870	0.000	1	114.8870	0.000	1	114.8870	0.000	1	110.5956	3.710	8
474	813	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5a]	H	3:4:3:1:	4:3:3:	4:	N[5,5a]-3:C[5,5,6]-4:C[5,5]-3:H-1:	C[5,5]-4:N[5,5a]-3:C[5a]-3:	C[5,5]-4:	C[5,5](N[5,5a]N[5,5a]C[5a])(C[5,5,6]C[5,5,6]2H)(C[5,5]C[5]2)(H)	N[5,5a](C[5,5]C[5,5,6]C[5,5]H)(N[5,5a]C[5a]C[5])(C[5a]N[5a]O)	H(C[5,5]C[5,5,6]N[5,5a]C[5,5])	C[5,5](N[5,5a]N[5,5a]C[5a])(C[5,5,6]C[5,5,6]2H)(C[5,5]C[5]2)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	N[5,5a](C[5,5]C[5,5,6]C[5,5]H)(N[5,5a]C[5a]C[5])(C[5a]N[5a]O){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	H(C[5,5]C[5,5,6]N[5,5a]C[5,5])	109.8400	0.000	1	109.8400	0.000	1	109.8400	0.000	1	109.8400	0.000	1	110.3560	0.533	2	110.5956	3.710	8
474	813	951	0:SP3_SP-NON_SP3	C[5,5]	N[5,5a]	H	3:4:4:1:	4:3:3:	4:	N[5,5a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:N[5,5a]-3:C[5a]-3:	C[5,5]-4:	C[5,5](N[5,5a]N[5,5a]C[5a])(C[5,5]C[5]N[5]H)(C[5]C[5]N[5]H)(H)	N[5,5a](C[5,5]C[5,5]C[5]H)(N[5,5a]C[5a]C[5])(C[5a]N[5a]O)	H(C[5,5]N[5,5a]C[5,5]C[5])	C[5,5](N[5,5a]N[5,5a]C[5a])(C[5,5]C[5]N[5]H)(C[5]C[5]N[5]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	N[5,5a](C[5,5]C[5,5]C[5]H)(N[5,5a]C[5a]C[5])(C[5a]N[5a]O){1|C<4>,1|O<1>,2|C<3>,2|N<3>,3|H<1>}	H(C[5,5]N[5,5a]C[5,5]C[5])	110.8720	0.000	1	110.8720	0.000	1	110.8720	0.000	1	110.8720	0.000	1	110.3560	0.533	2	110.5956	3.710	8
474	813	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[5a,6]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6,6]-4:N[5a,6]-3:H-1:	C[5,6,6]-4:N[5a,6]-3:C[5a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6]S[5,5]H)(C[5,6,6]N[5,5,6]C[6]H)(N[5a,6]N[5a,6]C[5a])(H)	N[5a,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O)	H(C[5,6,6]C[5,5,6]C[5,6,6]N[5a,6])	C[5,6,6](C[5,5,6]C[5,6]S[5,5]H)(C[5,6,6]N[5,5,6]C[6]H)(N[5a,6]N[5a,6]C[5a])(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>,3|O<1>}	N[5a,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O){1|C<3>,1|N<3>,1|O<1>,1|S<4>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]N[5a,6])	109.8830	0.000	1	109.8830	0.000	1	109.8830	0.000	1	109.8830	0.000	1	109.8830	0.000	1	110.5956	3.710	8
474	813	951	0:SP3_SP-NON_SP3	C[5]	N[5,5a]	H	3:3:4:1:	3:4:3:	4:	N[5,5a]-3:C[6a]-3:C[5]-4:H-1:	N[5,5a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](N[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5,5a](N[5,5a]C[5a]C[5])(C[5]C[6a]C[5]H)(C[5a]N[5a]O)	H(C[5]N[5,5a]C[6a]C[5])	C[5](N[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	N[5,5a](N[5,5a]C[5a]C[5])(C[5]C[6a]C[5]H)(C[5a]N[5a]O){1|O<1>,2|H<1>,5|C<3>}	H(C[5]N[5,5a]C[6a]C[5])	109.1910	0.000	1	109.1910	0.000	1	109.1910	0.000	1	109.1910	0.000	1	109.5140	0.209	2	110.5956	3.710	8
474	813	951	0:SP3_SP-NON_SP3	C[5]	N[5,5a]	H	3:4:4:1:	3:4:3:	4:	N[5,5a]-3:C[5,5]-4:C-4:H-1:	N[5,5a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](N[5,5a]N[5,5a]C[5a])(C[5,5]C[5,5]N[5]H)(CC[5]HH)(H)	N[5,5a](N[5,5a]C[5,5]C[5a])(C[5]C[5,5]CH)(C[5a]N[5a]O)	H(C[5]N[5,5a]C[5,5]C)	C[5](N[5,5a]N[5,5a]C[5a])(C[5,5]C[5,5]N[5]H)(CC[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|N<3>}	N[5,5a](N[5,5a]C[5,5]C[5a])(C[5]C[5,5]CH)(C[5a]N[5a]O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5]N[5,5a]C[5,5]C)	109.8370	0.000	1	109.8370	0.000	1	109.8370	0.000	1	109.8370	0.000	1	109.5140	0.209	2	110.5956	3.710	8
474	813	951	0:SP3_SP-NON_SP3	C[5]	N[5a]	H	3:4:2:1:	3:4:3:	4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5,6]HO)(O[5]C[5,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	H(C[5]N[5a]C[5]O[5])	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5,6]HO)(O[5]C[5,6])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]N[5a]C[5]O[5])	108.8220	0.000	1	108.8220	0.000	1	108.8220	0.000	1	108.8220	0.000	1	108.8220	0.000	1	110.5956	3.710	8