818	474	742	0:SP2_SP3_SP3	C[5]	C[5]	B[4]	3:4:4:	3:4:4:4:	3:2:2:2:	N[5]-3:B[4]-4:C[5]-4:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-3:S[4]-2:S[4]-2:C-2:	C[5](N[5]C[6a]C[5])(B[4]S[4]2C)(C[5]C[5]CC)	C[5](C[5]B[4]N[5])(C[5]C[5]HH)(CH3)2	B[4](C[5]C[5]N[5])(S[4]B[4])2(CN)	C[5](N[5]C[6a]C[5])(B[4]S[4]2C)(C[5]C[5]CC){1|B<4>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]B[4]N[5])(C[5]C[5]HH)(CH3)2{1|C<2>,1|C<3>,2|C<4>,2|S<2>}	B[4](C[5]C[5]N[5])(S[4]B[4])2(CN){1|C<2>,2|C<3>,4|C<4>}	126.4080	0.000	1	126.4080	0.000	1	126.4080	0.000	1	126.4673	0.820	3	126.4673	0.820	3	126.4673	0.820	3
818	474	742	0:SP2_SP3_SP3	C[5]	C[5]	B[4]	3:4:4:	3:4:4:4:	3:2:2:2:	N[5]-3:B[4]-4:C[5]-4:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-3:Se[4]-2:Se[4]-2:C-2:	C[5](N[5]C[6a]C[5])(B[4]Se[4]2C)(C[5]C[5]CC)	C[5](C[5]B[4]N[5])(C[5]C[5]HH)(CH3)2	B[4](C[5]C[5]N[5])(Se[4]B[4])2(CN)	C[5](N[5]C[6a]C[5])(B[4]Se[4]2C)(C[5]C[5]CC){1|B<4>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]B[4]N[5])(C[5]C[5]HH)(CH3)2{2|Se<2>,1|C<2>,1|C<3>,2|C<4>}	B[4](C[5]C[5]N[5])(Se[4]B[4])2(CN){1|C<2>,2|C<3>,4|C<4>}	127.4010	0.000	1	126.4970	1.634	2	126.4970	1.634	2	126.4673	0.820	3	126.4673	0.820	3	126.4673	0.820	3
818	474	742	0:SP2_SP3_SP3	C[5]	C[5]	B[4]	3:4:4:	3:4:4:4:	3:2:2:2:	N[5]-3:B[4]-4:C[5]-4:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-3:Se[4]-2:Se[4]-2:C-2:	C[5](N[5]C[6a]C[5])(B[4]Se[4]2C)(C[5]C[5]CC)	C[5](C[5]B[4]N[5])(C[5]C[5]HH)(CH3)2	B[4](C[5]C[5]N[5])(Se[4]B[4])2(CN)	C[5](N[5]C[6a]C[5])(B[4]Se[4]2C)(C[5]C[5]CC){1|B<4>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]B[4]N[5])(C[5]C[5]HH)(CH3)2{2|Se<2>,1|C<2>,1|C<3>,2|C<4>}	B[4](C[5]C[5]N[5])(Se[4]B[4])2(CN){2|C<3>,5|C<4>}	125.5930	0.000	1	126.4970	1.634	2	126.4970	1.634	2	126.4673	0.820	3	126.4673	0.820	3	126.4673	0.820	3
818	474	762	0:SP2_SP2_SP3	C[5,5]	C[5,5,6]	C[6]	4:4:3:	4:3:4:1:	3:3:3:	C[5,5,6]-4:C[5,5,6]-4:C[6]-3:	C[5,5,6,6]-4:C[5,5]-3:C[5,6]-4:H-1:	C[5,5]-3:C[6]-3:C[6]-3:	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)2(C[6]C[6]2)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5]C[6])(C[5,5]C[5,5,6]C[6])(C[5,6]C[5,6]HH)(H)	C[6](C[5,5]C[5,5,6]2)(C[6]C[6]H)2	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)2(C[6]C[6]2){2|C<4>,4|C<3>,6|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5]C[6])(C[5,5]C[5,5,6]C[6])(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6](C[5,5]C[5,5,6]2)(C[6]C[6]H)2{1|C<3>,4|C<4>,4|H<1>}	131.2250	0.000	1	131.1215	0.021	2	131.1215	0.021	2	131.1215	0.021	2	131.1215	0.021	2	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,5]	C[5,5,6]	C[6]	4:4:3:	4:3:4:1:	3:3:3:	C[5,5,6]-4:C[5,5,6]-4:C[6]-3:	C[5,5,6,6]-4:C[5,5]-3:C[5,6]-4:H-1:	C[5,5]-3:C[6]-3:C[6]-3:	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)2(C[6]C[6]2)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5]C[6])(C[5,5]C[5,5,6]C[6])(C[5,6]C[5,6]HH)(H)	C[6](C[5,5]C[5,5,6]2)(C[6]C[6]H)2	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)2(C[6]C[6]2){2|C<4>,4|C<3>,6|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5]C[6])(C[5,5]C[5,5,6]C[6])(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<1>,2|O<2>,4|C<3>,4|H<1>}	C[6](C[5,5]C[5,5,6]2)(C[6]C[6]H)2{1|C<3>,4|C<4>,4|H<1>}	131.0180	0.000	1	131.1215	0.021	2	131.1215	0.021	2	131.1215	0.021	2	131.1215	0.021	2	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6,6]	C[5,5,6]	C[6]	4:4:3:	3:3:2:3:	3:4:1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:	C[5,6,6a]-3:C[5,6,6]-3:O[5,5]-2:C[6a]-3:	C[5,6,6]-3:C[6]-4:H-1:	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[6]C)(C[6]C[6]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]HH)(H)	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[6]C)(C[6]C[6]H){1|C<4>,4|H<1>,5|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6])(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<2>,2|C<4>,4|H<1>,5|C<3>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]HH)(H){1|C<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	130.6237	0.373	3	130.6237	0.139	3	130.6237	0.139	3	130.6237	0.139	3	131.1827	3.677	7	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6,6]	C[5,5,6]	C[6]	4:4:3:	4:3:2:1:	3:4:1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:	C[5,5,6]-4:C[5,6,6]-3:O[5,5]-2:H-1:	C[5,6,6]-3:C[6]-4:H-1:	C[5,6,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6,6]C[5,6,6]C[6])(O[5,5]C[5,5,6])(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[5,6]HH)(H)	C[5,6,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[5,6]H)(C[6]C[6]H){2|C<3>,2|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6,6]C[5,6,6]C[6])(O[5,5]C[5,5,6])(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[5,6]HH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	132.9495	0.183	2	132.9495	0.034	2	132.9495	0.034	2	132.9495	0.034	2	131.1827	3.677	7	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6,6]	C[5,5,6]	C[6]	4:4:3:	4:3:3:1:	3:2:2:	C[5,3x6]-4:C[5,5,6]-4:C[6]-3:	P[5,5,6]-4:C[5,6,6]-3:C[5,6]-3:H-1:	C[5,6,6]-3:O[6]-2:O-2:	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]C)(C[5,5,6]P[5,5,6]C[5,6]H)(C[6]O[6]O)	C[5,5,6](P[5,5,6]C[5,5,6,6]C[6]W)(C[5,6,6]C[5,3x6]C[6])(C[5,6]C[5,6]C)(H)	C[6](C[5,6,6]C[5,3x6]C[5,5,6])(O[6]P[6])(OC)	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]C)(C[5,5,6]P[5,5,6]C[5,6]H)(C[6]O[6]O){1|C<3>,1|P<4>,1|W<6>,2|H<1>,3|C<4>}	C[5,5,6](P[5,5,6]C[5,5,6,6]C[6]W)(C[5,6,6]C[5,3x6]C[6])(C[5,6]C[5,6]C)(H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6,6]C[5,3x6]C[5,5,6])(O[6]P[6])(OC){1|H<1>,1|P<4>,1|W<6>,2|C<3>,3|C<4>}	127.7200	0.000	1	127.7200	0.000	1	127.7200	0.000	1	127.7200	0.000	1	131.1827	3.677	7	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6,6]	C[5,5,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:	C[5,5,6]-4:C[5,6,6]-3:C[5,6]-4:H-1:	C[5,6,6]-3:C[4,6]-4:H-1:	C[5,6,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,5,3x6]C[6]H)(C[6]C[4,6]H)	C[5,5,6](C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6,6]C[5,6,6]C[6])(C[5,6]C[5,3x6]HH)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[4,6]C[4,6]C[4]H)(H)	C[5,6,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,5,3x6]C[6]H)(C[6]C[4,6]H){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6,6]C[5,6,6]C[6])(C[5,6]C[5,3x6]HH)(H){1|C<3>,3|H<1>,5|C<4>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[4,6]C[4,6]C[4]H)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	132.7890	0.000	1	132.7890	0.000	1	132.7890	0.000	1	132.7890	0.000	1	131.1827	3.677	7	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[6]	4:4:3:	3:4:4:2:	3:3:3:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-3:	C[5,6,6]-3:C[3x6]-4:C[5,6]-4:O-2:	C[5,6,6]-3:C[6]-3:C-3:	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6,6]C[6,6])(C[5,6,6]C[3x6]C[5,6]O)(C[6]C[6]C)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(OH)	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[6]C[6,6]O)(COO)	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6,6]C[6,6])(C[5,6,6]C[3x6]C[5,6]O)(C[6]C[6]C){1|O<1>,6|C<4>,6|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(OH){1|N<4>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[6]C[6,6]O)(COO){1|H<1>,1|N<4>,1|O<2>,5|C<4>}	132.2180	0.000	1	132.2180	0.000	1	132.2180	0.000	1	132.2180	0.000	1	132.0579	2.548	8	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[6]	4:4:3:	3:4:4:2:	3:4:3:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-3:	C[5,6,6]-3:C[3x6]-4:C[5,6]-4:O-2:	C[5,6,6]-3:C[6]-4:C-3:	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6,6]C[6,6])(C[5,6,6]C[3x6]C[5,6]O)(C[6]C[6]C)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(OH)	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[6]C[6,6]HO)(COO)	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6,6]C[6,6])(C[5,6,6]C[3x6]C[5,6]O)(C[6]C[6]C){1|O<2>,6|C<4>,6|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(OH){1|C<3>,1|N<3>,4|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[6]C[6,6]HO)(COO){1|H<1>,1|N<3>,1|O<2>,5|C<4>}	132.2713	0.608	3	131.7288	1.084	5	131.7288	1.084	5	131.7288	1.084	5	132.0579	2.548	8	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[6]	4:4:3:	3:4:4:2:	3:4:3:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-3:	C[5,6,6]-3:C[3x6]-4:C[5,6]-4:O-2:	C[5,6,6]-3:C[6]-4:C-3:	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6,6]C[6,6])(C[5,6,6]C[3x6]C[5,6]O)(C[6]C[6]C)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(OH)	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[6]C[6,6]HO)(COO)	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6,6]C[6,6])(C[5,6,6]C[3x6]C[5,6]O)(C[6]C[6]C){1|O<2>,6|C<4>,7|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(OH){1|C<3>,1|N<4>,4|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[6]C[6,6]HO)(COO){1|H<1>,1|N<4>,1|O<2>,5|C<4>}	130.9150	1.178	2	131.7288	1.084	5	131.7288	1.084	5	131.7288	1.084	5	132.0579	2.548	8	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[6]	4:4:3:	3:4:4:4:	3:3:2:	C[5,6,6]-4:C[5,6,6]-4:C[6]-3:	C[5,6,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-3:C[6]-3:O-2:	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6,6]C[6]2O[5])(C[6]C[6]O)	C[5,6,6](C[5,6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]2)(C[6]C[6]O)(OH)	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6,6]C[6]2O[5])(C[6]C[6]O){1|C<3>,1|O<1>,3|C<4>,8|H<1>}	C[5,6,6](C[5,6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH){2|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[6](C[5,6,6]C[5,6,6]2)(C[6]C[6]O)(OH){1|C<3>,1|O<2>,5|C<4>}	135.2330	0.000	1	135.2330	0.000	1	135.2330	0.000	1	135.2330	0.000	1	132.0579	2.548	8	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[6]	4:4:3:	4:3:3:4:	3:4:1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-3:	C[5,5,6,6]-4:C[5,6,6]-3:C[6]-3:C-4:	C[5,6,6]-3:C[6]-4:H-1:	C[5,6,6](C[5,5,6,6]C[5,6]2O[5,5])(C[5,6,6]C[5,5,6,6]C[6]C)(C[6]C[6]H)	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6,6]C[5,5,6,6]C[6])(C[6]C[6]H)(CH3)	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[6]C[5,6]HH)(H)	C[5,6,6](C[5,5,6,6]C[5,6]2O[5,5])(C[5,6,6]C[5,5,6,6]C[6]C)(C[6]C[6]H){1|C<3>,4|C<4>,6|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6,6]C[5,5,6,6]C[6])(C[6]C[6]H)(CH3){2|Cl<1>,1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[6]C[5,6]HH)(H){1|C<3>,1|O<2>,6|C<4>}	130.3680	0.000	1	130.3680	0.000	1	130.3680	0.000	1	130.3680	0.000	1	132.0579	2.548	8	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6,6]	C[5,6]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:	C[5,6,6]-3:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-3:N[6]-3:H-1:	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]N[6]H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6])(C[5,5,6]C[5,6]O[5,5]H)(H)2	C[6](C[5,6,6]C[5,5,6,6]C[5,6])(N[6]C[6]S)(H)	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]N[6]H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6])(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6])(N[6]C[6]S)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	130.4930	0.000	1	130.4930	0.000	1	130.4930	0.000	1	130.4930	0.000	1	131.3133	8.792	6	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6,6]	C[5,6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:	C[5,6,6]-3:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-3:C[6]-4:H-1:	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6])(C[5,5,6]C[5,6]O[5,5]H)(H)2	C[6](C[5,6,6]C[5,5,6,6]C[5,6])(C[6]N[6]HH)(H)	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]H){1|C<3>,1|N<3>,6|H<1>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6])(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6])(C[6]N[6]HH)(H){1|C<3>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	134.0680	0.045	2	134.0680	0.002	2	134.0680	0.002	2	134.0680	0.002	2	131.3133	8.792	6	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6,6]	C[5,6]	C[6]	4:4:3:	3:4:2:1:	3:3:1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:	C[5,6,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6,6]-3:C[6]-3:H-1:	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]H)(C[6]C[6]H)	C[5,6](C[5,6,6]C[5,6,6]C[6])(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6,6]C[5,6,6]C[5,6])(C[6]C[6]O)(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]H)(C[6]C[6]H){1|O<1>,3|C<4>,7|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6])(C[6]C[6,6]HH)(O[5]C[5])(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6])(C[6]C[6]O)(H){1|O<2>,3|H<1>,4|C<4>}	131.5675	0.982	2	131.5675	0.965	2	131.5675	0.965	2	129.7503	10.389	3	131.3133	8.792	6	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6,6]	C[5,6]	C[6]	4:4:3:	3:4:2:1:	3:3:1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:	C[5,6,6]-3:C[6]-4:S[5]-2:H-1:	C[5,6,6]-3:C[6]-3:H-1:	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]S[5]H)(C[6]C[6]H)	C[5,6](C[5,6,6]C[5,6,6]C[6])(C[6]C[6,6]HH)(S[5]C[5])(H)	C[6](C[5,6,6]C[5,6,6]C[5,6])(C[6]C[6]O)(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]S[5]H)(C[6]C[6]H){1|O<1>,3|C<4>,7|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6])(C[6]C[6,6]HH)(S[5]C[5])(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6])(C[6]C[6]O)(H){1|S<2>,3|H<1>,4|C<4>}	126.1160	0.000	1	126.1160	0.000	1	126.1160	0.000	1	129.7503	10.389	3	131.3133	8.792	6	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6,6]	C[5]	C[6,6]	4:3:4:	3:2:1:1:	3:4:1:	C[5,3x6]-4:C[6,6]-3:C[5]-4:	C[5,6,6]-3:O[5]-2:H-1:H-1:	C[5,6,6]-3:C[3x6]-4:H-1:	C[5,6,6](C[5,3x6]C[6,6,6a]2C[5])(C[6,6]C[3x6]H)(C[5]O[5]HH)	C[5](C[5,6,6]C[5,3x6]C[6,6])(O[5]C[5])(H)2	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2C)(H)	C[5,6,6](C[5,3x6]C[6,6,6a]2C[5])(C[6,6]C[3x6]H)(C[5]O[5]HH){1|C<4>,1|O<1>,4|C<3>}	C[5](C[5,6,6]C[5,3x6]C[6,6])(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2C)(H){1|O<2>,2|H<1>,5|C<3>}	136.7090	0.000	1	136.7090	0.000	1	136.7535	0.004	2	136.7535	0.004	2	133.7538	7.919	5	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6,6]	C[5]	C[6,6]	4:3:4:	3:2:1:1:	3:4:1:	C[5,3x6]-4:C[6,6]-3:C[5]-4:	C[5,6,6]-3:O[5]-2:H-1:H-1:	C[5,6,6]-3:C[3x6]-4:H-1:	C[5,6,6](C[5,3x6]C[6,6,6a]2C[5])(C[6,6]C[3x6]H)(C[5]O[5]HH)	C[5](C[5,6,6]C[5,3x6]C[6,6])(O[5]C[5])(H)2	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(H)	C[5,6,6](C[5,3x6]C[6,6,6a]2C[5])(C[6,6]C[3x6]H)(C[5]O[5]HH){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6,6]C[5,3x6]C[6,6])(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(H){1|O<2>,2|H<1>,5|C<3>}	136.7980	0.000	1	136.7980	0.000	1	136.7535	0.004	2	136.7535	0.004	2	133.7538	7.919	5	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6,6]	C[5]	C[6,6]	4:3:4:	3:2:1:1:	4:3:1:	C[5,3x6]-4:C[6,6]-3:C[5]-4:	C[5,6,6]-3:S[5]-2:H-1:H-1:	C[3x6]-4:C[5,6,6]-3:H-1:	C[5,6,6](C[5,3x6]C[6,6,6a]2C[5])(C[6,6]C[3x6]H)(C[5]S[5]HH)	C[5](C[5,6,6]C[5,3x6]C[6,6])(S[5]C[5])(H)2	C[6,6](C[3x6]C[6,6,6a]2C[6a])(C[5,6,6]C[5,3x6]C[5])(H)	C[5,6,6](C[5,3x6]C[6,6,6a]2C[5])(C[6,6]C[3x6]H)(C[5]S[5]HH){2|H<1>,5|C<3>}	C[5](C[5,6,6]C[5,3x6]C[6,6])(S[5]C[5])(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6,6a]2C[6a])(C[5,6,6]C[5,3x6]C[5])(H){1|C<4>,1|S<2>,2|H<1>,6|C<3>}	130.8770	0.000	1	130.8770	0.000	1	130.8770	0.000	1	130.8770	0.000	1	133.7538	7.919	5	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6,6]	C[5]	C[6,6]	4:3:4:	3:3:1:1:	3:4:4:	C[5,3x6]-4:C[6,6]-3:C[5]-4:	C[5,6,6]-3:N[5]-3:H-1:H-1:	C[5,6,6]-3:C[3x6]-4:C-4:	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]C)(C[5]N[5]HH)	C[5](C[5,6,6]C[5,3x6]C[6,6])(N[5]C[5]S)(H)2	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]2H)(CH3)	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]C)(C[5]N[5]HH){1|S<4>,2|C<4>,7|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6])(N[5]C[5]S)(H)2{2|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]2H)(CH3){1|N<3>,3|C<4>,6|H<1>}	132.7050	0.000	1	132.7050	0.000	1	132.7050	0.000	1	132.7050	0.000	1	133.7538	7.919	5	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6,6]	C[5]	C[6,6]	4:3:4:	3:4:2:1:	3:4:1:	C[5,3x6]-4:C[6,6]-3:C[5]-4:	C[5,6,6]-3:C[5]-4:O-2:H-1:	C[5,6,6]-3:C[3x6]-4:H-1:	C[5,6,6](C[5,3x6]C[5,6]C[6,6]2)(C[6,6]C[3x6]H)(C[5]C[5]HO)	C[5](C[5,6,6]C[5,3x6]C[6,6])(C[5]C[5,6]HH)(OH)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]2H)(H)	C[5,6,6](C[5,3x6]C[5,6]C[6,6]2)(C[6,6]C[3x6]H)(C[5]C[5]HO){1|N<3>,4|C<4>,6|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6])(C[5]C[5,6]HH)(OH)(H){1|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]2H)(H){1|O<2>,4|C<4>,5|H<1>}	131.6800	0.000	1	131.6800	0.000	1	131.6800	0.000	1	131.6800	0.000	1	133.7538	7.919	5	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[3x5]	C[6]	4:3:3:	3:4:4:4:	3:4:1:	C[3x5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6]-3:C[6]-4:O-1:	C[5,6](C[3x5]C[5,5]2C[5])(C[5,6]C[5]C[6])(C[6]C[6]O)	C[3x5](C[5,6]C[5,6]C[6])(C[5,5]C[5]2H)(C[5,5]O[5]2H)(C[5]C[5]HH)	C[6](C[5,6]C[3x5]C[5,6])(C[6]C[6]HH)(O)	C[5,6](C[3x5]C[5,5]2C[5])(C[5,6]C[5]C[6])(C[6]C[6]O){1|C<3>,1|O<1>,2|C<4>,2|O<2>,8|H<1>}	C[3x5](C[5,6]C[5,6]C[6])(C[5,5]C[5]2H)(C[5,5]O[5]2H)(C[5]C[5]HH){2|C<4>,2|H<1>,3|O<1>}	C[6](C[5,6]C[3x5]C[5,6])(C[6]C[6]HH)(O){1|C<3>,6|C<4>}	124.5070	0.000	1	124.5070	0.000	1	124.5070	0.000	1	124.5070	0.000	1	124.5070	0.000	1	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[6]	4:3:3:	3:3:4:4:	3:3:1:	C[5,5,6]-4:C[5,6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:C[5,6]-4:C[5,6]-4:	C[5,6]-3:C[6]-3:O-1:	C[5,6](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6]C[5]C[6])(C[6]C[6]O)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)2	C[6](C[5,6]C[5,5,6]C[5,6])(C[6]C[6]H)(O)	C[5,6](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6]C[5]C[6])(C[6]C[6]O){3|C<3>,3|C<4>,6|H<1>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)2{1|C<4>,1|O<1>,1|O<2>,4|C<3>,8|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6])(C[6]C[6]H)(O){1|H<1>,2|C<3>,3|C<4>}	128.3130	0.000	1	128.3130	0.000	1	128.3130	0.000	1	128.3130	0.000	1	128.9520	28.553	4	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[6]	4:3:3:	4:3:3:4:	3:3:1:	C[5,5,6]-4:C[5,6]-3:C[6]-3:	C[5,6,6]-4:C[5,6]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6]C[6]N[5])(C[6]C[6]H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,6]C[6])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[6](C[5,6]C[5,5,6]C[5,6])(C[6]C[6]O)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6]C[6]N[5])(C[6]C[6]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,6]C[6])(C[5,6]C[6]N[5])(C[5]C[5]HH){3|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,5,6]C[5,6])(C[6]C[6]O)(H){1|N<2>,1|O<2>,2|C<3>,2|C<4>}	134.1510	0.000	1	132.8565	3.351	2	132.8565	3.351	2	132.8565	3.351	2	128.9520	28.553	4	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[6]	4:3:3:	4:3:3:4:	3:3:1:	C[5,5,6]-4:C[5,6]-3:C[6]-3:	C[5,6,6]-4:C[5,6]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6]C[6]N[5])(C[6]C[6]H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,6]C[6])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[6](C[5,6]C[5,5,6]C[5,6])(C[6]C[6]O)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6]C[6]N[5])(C[6]C[6]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,6]C[6])(C[5,6]C[6]N[5])(C[5]C[5]HH){3|C<3>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6])(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	131.5620	0.000	1	132.8565	3.351	2	132.8565	3.351	2	132.8565	3.351	2	128.9520	28.553	4	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[6]	4:4:3:	4:3:4:4:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6]-3:	C[5,5]-4:C[5,6]-3:C[5,6]-4:C-4:	C[6,6]-4:C[5,6]-3:C[6]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6]C[6,6]C[6])	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C[6])(C[5,6]C[5,6]HH)(CH3)	C[6](C[6,6]C[6,6a]C[6]P[6])(C[5,6]C[5,5,6]C[5,6])(C[6]C[6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6]C[6,6]C[6]){1|C<4>,1|P<4>,3|C<3>,6|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C[6])(C[5,6]C[5,6]HH)(CH3){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6]P[6])(C[5,6]C[5,5,6]C[5,6])(C[6]C[6]H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>,6|C<4>}	121.7820	0.000	1	121.7820	0.000	1	121.7820	0.000	1	121.7820	0.000	1	128.9520	28.553	4	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5,5]	C[6]	3:3:4:	3:4:3:3:	3:3:1:	C[5,6]-3:C[6]-3:C[5,5]-4:	C[5,6]-3:C[5]-4:C[5]-3:C[5]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[3,6]C[5])(C[6]C[6,6a]O)(C[5,5]C[5]3)	C[5,5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(C[5]C[5]C)(C[5]O[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[5,6])(O)	C[5,6](C[5,6]C[3,6]C[5])(C[6]C[6,6a]O)(C[5,5]C[5]3){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[5,5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(C[5]C[5]C)(C[5]O[5]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[5,6])(O){1|H<1>,3|C<4>,4|C<3>}	123.2690	0.000	1	123.2690	0.000	1	123.2690	0.000	1	123.2690	0.000	1	128.2996	6.551	24	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5,5]	C[6]	3:4:3:	3:3:3:3:	3:3:1:	C[5,6]-3:C[5,5]-4:C[6]-3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]C[5,6a]C[6])(C[5,5]C[5,6a]3)(C[6]C[6]H)	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5,6]C[5,6]C[6])	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5,5]C[5,6a]3)(C[6]C[6]H){1|H<1>,1|O<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5,6]C[5,6]C[6]){4|H<1>,8|C<3>}	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]O)(H){1|I<1>,5|C<3>}	127.9420	0.000	1	127.9420	0.000	1	127.8925	0.005	2	127.8925	0.005	2	128.2996	6.551	24	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5,5]	C[6]	3:4:3:	3:3:3:3:	3:3:1:	C[5,6]-3:C[5,5]-4:C[6]-3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]C[5,6a]C[6])(C[5,5]C[5,6a]3)(C[6]C[6]H)	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5,6]C[5,6]C[6])	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6a]C[6])(H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5,5]C[5,6a]3)(C[6]C[6]H){1|C<2>,1|H<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5,6]C[5,6]C[6]){4|H<1>,8|C<3>}	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6a]C[6])(H){7|C<3>}	127.8430	0.000	1	127.8430	0.000	1	127.8925	0.005	2	127.8925	0.005	2	128.2996	6.551	24	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5,5]	C[6]	3:4:3:	3:4:2:2:	3:4:1:	C[5,6]-3:C[5,5]-4:C[6]-3:	C[5,6]-3:C[5]-4:O[5]-2:O[5]-2:	C[5,6]-3:C[6]-4:O-1:	C[5,6](C[5,6]C[6,6]C[5])(C[5,5]C[5]O[5]2)(C[6]C[6]O)	C[5,5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(O[5]C[5])2	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6,6]HH)(O)	C[5,6](C[5,6]C[6,6]C[5])(C[5,5]C[5]O[5]2)(C[6]C[6]O){1|O<1>,4|H<1>,5|C<4>}	C[5,5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(O[5]C[5])2{2|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6,6]HH)(O){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	124.9780	0.000	1	124.9780	0.000	1	124.9780	0.000	1	124.9780	0.000	1	128.2996	6.551	24	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5,5]	C[6]	4:3:3:	3:3:3:3:	3:3:1:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:C[5]-3:N[5]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5,6]C[5]C[6])(C[6]C[6,6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5]N[5]O)(N[5]C[5]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[5,6])(O)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5,6]C[5]C[6])(C[6]C[6,6a]O){1|C<4>,1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[5,6])(O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	124.9295	0.278	2	124.9295	0.077	2	124.9295	0.077	2	129.3795	26.695	4	128.2996	6.551	24	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5,5]	C[6]	4:3:3:	3:3:3:3:	3:3:1:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,6a]-3:C[5,6a]-3:C[5,6]-3:C[5,6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,5]C[5,6a]2C[5,6])(C[5,6]C[5,6]N[6])(C[6]C[6]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,6]C[5,6]C[6])2	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,5]C[5,6a]2C[5,6])(C[5,6]C[5,6]N[6])(C[6]C[6]H){1|Ir<6>,1|H<1>,1|N<3>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,6]C[5,6]C[6])2{2|N<3>,4|H<1>,6|C<3>}	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,4|C<3>}	134.4610	0.000	1	133.8295	0.798	2	133.8295	0.798	2	129.3795	26.695	4	128.2996	6.551	24	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5,5]	C[6]	4:3:3:	3:3:3:3:	3:3:1:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,6a]-3:C[5,6a]-3:C[5,6]-3:C[5,6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,5]C[5,6a]2C[5,6])(C[5,6]C[5,6]N[6])(C[6]C[6]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,6]C[5,6]C[6])2	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,5]C[5,6a]2C[5,6])(C[5,6]C[5,6]N[6])(C[6]C[6]H){1|Ir<6>,1|H<1>,1|N<3>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,6]C[5,6]C[6])2{2|N<3>,4|H<1>,6|C<3>}	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]H)(H){1|N<3>,5|C<3>}	133.1980	0.000	1	133.8295	0.798	2	133.8295	0.798	2	129.3795	26.695	4	128.2996	6.551	24	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5,5]	C[6]	4:3:3:	3:3:4:4:	3:4:1:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:C[5,5]-4:C-4:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,5]C[5,6a]C[5,5]C)(C[5,6]C[6]N[5])(C[6]C[6]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,5]N[5]O[5]H)(CC[6]HH)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]OO)(H)	C[5,6](C[5,5]C[5,6a]C[5,5]C)(C[5,6]C[6]N[5])(C[6]C[6]H){2|H<1>,3|C<3>,3|O<2>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,5]N[5]O[5]H)(CC[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]OO)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	132.7750	0.000	1	132.7750	0.000	1	132.7750	0.000	1	132.7750	0.000	1	128.2996	6.551	24	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5,5]	C[6]	4:3:3:	3:4:2:1:	3:4:3:	C[5,5]-4:N[5,6]-3:C[6]-3:	C[5,6]-3:C[5,5]-4:O[5]-2:H-1:	C[5,6]-3:C[6]-4:C-3:	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]C)	C[5,5](C[5,6]N[5,6]C[6])(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,5]N[5,6])(C[6]C[6]CH)(COO)	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]C){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,5](C[5,6]N[5,6]C[6])(C[5,5]C[5]O[5]H)(O[5]C[5])(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,5]N[5,6])(C[6]C[6]CH)(COO){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	129.3260	0.000	1	129.3260	0.000	1	129.3260	0.000	1	129.3260	0.000	1	128.2996	6.551	24	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5,5]	C[6]	4:3:3:	3:4:3:1:	3:2:1:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[5,5]-4:P[5]-3:H-1:	C[5,6]-3:C[6]-2:H-1:	C[5,6](C[5,5]C[5,5]P[5]H)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[5,5](C[5,6]C[5,6]C[6])(C[5,5]C[5]P[5]H)(P[5]C[5]P[5])(H)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6])(H)	C[5,6](C[5,5]C[5,5]P[5]H)(C[5,6]C[5]C[6])(C[6]C[6]H){2|C<3>,2|P<3>,3|H<1>}	C[5,5](C[5,6]C[5,6]C[6])(C[5,5]C[5]P[5]H)(P[5]C[5]P[5])(H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6])(H){1|C<4>,1|P<3>,2|C<3>,2|H<1>}	127.7350	0.000	1	127.7350	0.000	1	127.7350	0.000	1	127.7350	0.000	1	128.2996	6.551	24	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5,5]	C[6]	4:3:3:	3:4:3:1:	3:4:1:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,6a]-3:C[5,5]-4:C[5,6]-3:H-1:	C[5,6]-3:C[6]-4:O-1:	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[6]O[5])(C[6]C[6]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]C[6]O[5])(C[5,6]C[5,6]C[6])(H)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(O)	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[6]O[5])(C[6]C[6]O){2|C<4>,3|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]C[6]O[5])(C[5,6]C[5,6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	128.9870	0.000	1	128.9870	0.000	1	128.9870	0.000	1	128.9870	0.000	1	128.2996	6.551	24	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5,5]	C[6]	4:3:3:	3:4:4:1:	3:3:1:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[5,5]-4:N[5]-4:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[5]N[6])(C[6]C[6]H)	C[5,5](C[5,6]C[5,6]C[6])(C[5,5]C[5]2H)(N[5]C[5]CH)(H)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[5]N[6])(C[6]C[6]H){1|C<3>,3|C<4>,6|H<1>}	C[5,5](C[5,6]C[5,6]C[6])(C[5,5]C[5]2H)(N[5]C[5]CH)(H){1|C<3>,1|N<3>,7|H<1>}	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]H)(H){1|N<3>,1|N<4>,2|C<4>,2|H<1>}	129.5740	0.000	1	129.5740	0.000	1	129.5740	0.000	1	129.5740	0.000	1	128.2996	6.551	24	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5,5]	C[6]	4:3:3:	3:4:4:1:	3:4:1:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[5,5]-4:C[5]-4:H-1:	C[5,6]-3:C[6]-4:O-1:	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O)	C[5,5](C[5,6]C[5,6]C[6])(C[5,5]N[5]O[5]C)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(O)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	C[5,5](C[5,6]C[5,6]C[6])(C[5,5]N[5]O[5]C)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<1>}	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,5|C<4>}	128.2925	0.221	2	128.4742	0.110	4	128.4802	0.082	5	128.4802	0.082	5	128.2996	6.551	24	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5,5]	C[6]	4:3:3:	3:4:4:1:	3:4:1:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[5,5]-4:C[5]-4:H-1:	C[5,6]-3:C[6]-4:O-1:	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O)	C[5,5](C[5,6]C[5,6]C[6])(C[5,5]N[5]O[5]C)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(O)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	C[5,5](C[5,6]C[5,6]C[6])(C[5,5]N[5]O[5]C)(C[5]C[5]HH)(H){2|O<1>,3|C<4>}	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,5|C<4>}	128.6560	0.385	2	128.4742	0.110	4	128.4802	0.082	5	128.4802	0.082	5	128.2996	6.551	24	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5,5]	C[6]	4:3:3:	3:4:4:1:	3:4:1:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[5,5]-4:C[5]-4:H-1:	C[5,6]-3:C[6]-4:O-1:	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O)	C[5,5](C[5,6]C[5,6]C[6])(C[5,5]O[5]2C)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(O)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[5,5](C[5,6]C[5,6]C[6])(C[5,5]O[5]2C)(C[5]C[5]HH)(H){2|C<4>,2|O<1>}	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,5|C<4>}	128.5040	0.000	1	128.5040	0.000	1	128.4802	0.082	5	128.4802	0.082	5	128.2996	6.551	24	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5,5]	C[6]	4:3:3:	4:3:3:1:	3:4:1:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,5]-4:C[5,6]-3:N[5]-3:H-1:	C[5,6]-3:C[6]-4:O-1:	C[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[6]N[5])(C[6]C[6]O)	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5,6]C[5,6]C[6])(N[5]C[5]C)(H)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(O)	C[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[6]N[5])(C[6]C[6]O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5,6]C[5,6]C[6])(N[5]C[5]C)(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(O){1|H<1>,2|N<3>,4|C<4>}	127.2700	0.779	2	127.2700	0.607	2	127.2700	0.607	2	127.2700	0.607	2	128.2996	6.551	24	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5,5]	C[6]	4:3:3:	4:3:3:2:	3:4:1:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,5]-4:C[5,6]-3:C[5]-3:O-2:	C[5,6]-3:C[6]-4:O-1:	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6]N[5])(C[6]C[6]O)	C[5,5](C[5,5]C[5,6a]N[5]N)(C[5,6]C[5,6]C[6])(C[5]C[5,6a]O)(OH)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(O)	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6]N[5])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]N)(C[5,6]C[5,6]C[6])(C[5]C[5,6a]O)(OH){1|O<1>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(O){1|C<3>,1|N<3>,1|O<2>,4|C<4>}	126.8510	0.000	1	126.8510	0.000	1	128.0755	0.777	4	128.0755	0.777	4	128.2996	6.551	24	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5,5]	C[6]	4:3:3:	4:3:3:2:	3:4:1:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,5]-4:C[5,6]-3:C[5]-3:O-2:	C[5,6]-3:C[6]-4:O-1:	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6]N[5])(C[6]C[6]O)	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5,6]C[5,6]C[6])(C[5]C[5,6a]O)(OH)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(O)	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6]N[5])(C[6]C[6]O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5,6]C[5,6]C[6])(C[5]C[5,6a]O)(OH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(O){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	128.9470	0.000	1	128.4837	0.166	3	128.0755	0.777	4	128.0755	0.777	4	128.2996	6.551	24	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5,5]	C[6]	4:3:3:	4:3:3:2:	3:4:1:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,5]-4:C[5,6]-3:C[5]-3:O-2:	C[5,6]-3:C[6]-4:O-1:	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6]N[5])(C[6]C[6]O)	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5,6]C[5,6]C[6])(C[5]C[5,6a]O)(OH)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(O)	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6]N[5])(C[6]C[6]O){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5,6]C[5,6]C[6])(C[5]C[5,6a]O)(OH){1|O<1>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(O){1|C<3>,1|N<3>,1|O<2>,4|C<4>}	128.2520	0.103	2	128.4837	0.166	3	128.0755	0.777	4	128.0755	0.777	4	128.2996	6.551	24	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5,6,6]	C[6]	4:3:3:	3:4:3:4:	3:3:1:	C[5,6,6]-4:N[5,6]-3:C[6]-3:	N[5,6,6]-3:C[6,6]-4:C[5,6]-3:C-4:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6,6]N[5,6,6]C[6,6]C)(N[5,6]Ge[5,6]C[6])(C[6]C[6]H)	C[5,6,6](N[5,6,6]Ge[5,6]C[6])(C[6,6]C[6,6]N[6]C)(C[5,6]N[5,6]C[6])(CH3)	C[6](C[5,6]C[5,6,6]N[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6,6]N[5,6,6]C[6,6]C)(N[5,6]Ge[5,6]C[6])(C[6]C[6]H){2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[5,6,6](N[5,6,6]Ge[5,6]C[6])(C[6,6]C[6,6]N[6]C)(C[5,6]N[5,6]C[6])(CH3){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6,6]N[5,6])(C[6]C[6]H)(H){1|Ge<3>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	124.3890	0.000	1	124.3890	0.000	1	124.3890	0.000	1	124.3890	0.000	1	127.7510	28.881	3	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5,6,6]	C[6]	4:3:3:	4:3:4:4:	3:3:1:	C[5,6,6]-4:C[5,6]-3:C[6]-3:	C[5,6,6]-4:C[5,6]-3:C[6]-4:C[6]-4:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6,6]C[5,6,6]C[6]2)(C[5,6]C[6]O[5])(C[6]C[6]H)	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5,6]C[5,6]C[6])(C[6]C[6]HH)2	C[6](C[5,6]C[5,6,6]C[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6]2)(C[5,6]C[6]O[5])(C[6]C[6]H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5,6]C[5,6]C[6])(C[6]C[6]HH)2{1|C<4>,1|N<4>,2|C<3>,6|H<1>}	C[6](C[5,6]C[5,6,6]C[5,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	133.9490	0.000	1	133.9490	0.000	1	133.9490	0.000	1	133.9490	0.000	1	127.7510	28.881	3	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5,6,6]	C[6]	4:3:3:	4:4:3:4:	3:3:1:	C[5,6,6]-4:N[5,6]-3:C[6]-3:	N[5,6,6]-4:C[6,6]-4:C[5,6]-3:C-4:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6,6]N[5,6,6]C[6,6]C)(N[5,6]Ge[5,6]C[6])(C[6]C[6]H)	C[5,6,6](N[5,6,6]Ge[5,6]C[6]H)(C[6,6]C[6,6]N[6]C)(C[5,6]N[5,6]C[6])(CH3)	C[6](C[5,6]C[5,6,6]N[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6,6]N[5,6,6]C[6,6]C)(N[5,6]Ge[5,6]C[6])(C[6]C[6]H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	C[5,6,6](N[5,6,6]Ge[5,6]C[6]H)(C[6,6]C[6,6]N[6]C)(C[5,6]N[5,6]C[6])(CH3){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6,6]N[5,6])(C[6]C[6]H)(H){1|Ge<3>,1|C<3>,1|H<1>,1|N<4>,2|C<4>}	124.9150	0.000	1	124.9150	0.000	1	124.9150	0.000	1	124.9150	0.000	1	127.7510	28.881	3	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:3:	3:3:3:3:	3:4:1:	C[5,6]-4:C[5,6]-3:C[6]-3:	C[6,6a]-3:C[5,6]-3:C[5,6]-3:C[5]-3:	C[5,6]-3:C[6]-4:O-1:	C[5,6](C[5,6]C[6,6a]C[5,6]C[5])(C[5,6]C[6]N[5])(C[6]C[6]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5,6]C[5,6]C[6])(C[5]N[5]O)	C[6](C[5,6]C[5,6]2)(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[6,6a]C[5,6]C[5])(C[5,6]C[6]N[5])(C[6]C[6]O){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5,6]C[5,6]C[6])(C[5]N[5]O){1|H<1>,1|N<3>,2|C<4>,2|O<1>,5|C<3>}	C[6](C[5,6]C[5,6]2)(C[6]C[6]HH)(O){1|N<3>,3|C<3>,3|C<4>}	127.8540	0.000	1	127.8540	0.000	1	127.8540	0.000	1	127.8540	0.000	1	129.2466	3.852	16	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:3:	3:4:4:1:	3:3:2:	C[5,6]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-3:C[6]-3:O-2:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5])(C[6]C[6]O)	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[6]O[5]H)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]2)(C[6]C[6]H)(OC)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5])(C[6]C[6]O){2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[6]O[5]H)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]2)(C[6]C[6]H)(OC){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	132.5870	0.000	1	132.5870	0.000	1	132.5870	0.000	1	132.5870	0.000	1	129.2466	3.852	16	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:3:	3:4:4:4:	3:3:1:	C[5,6]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-3:C[6]-3:O-1:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6])(C[6]C[6]O)	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]2)(C[6]C[6]O)(O)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6])(C[6]C[6]O){1|C<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]2)(C[6]C[6]O)(O){1|C<3>,5|C<4>}	127.7550	0.103	2	127.7550	0.011	2	127.7550	0.011	2	127.7550	0.011	2	129.2466	3.852	16	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:3:	4:3:3:1:	3:3:1:	C[5,6]-4:N[5,6]-3:C[6]-3:	C[5,6,6]-4:C[5,6]-3:N[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]C[5,6,6]N[6]H)(N[5,6]C[5,6,6]C[6])(C[6]C[6]H)	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5,6]N[5,6]C[6])(N[6]C[6]C)(H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5,6,6]N[6]H)(N[5,6]C[5,6,6]C[6])(C[6]C[6]H){1|H<1>,2|C<3>,2|O<2>,4|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5,6]N[5,6]C[6])(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]O)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	131.0630	0.000	1	131.0630	0.000	1	131.0630	0.000	1	131.0630	0.000	1	129.2466	3.852	16	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:3:	4:3:3:4:	4:3:4:	C[5,6]-4:C[5,6]-3:C[6]-3:	C[5,6]-4:C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,6]C[5,6]C[5]C[6])(C[5,6]C[5]C[6])(C[6]C[5,6]C)	C[5,6](C[5,6]C[5,6,6]C[5]C)(C[5,6]C[5,6]C[6])(C[6]C[6,6]O)(C[5]C[5]HH)	C[6](C[5,6]C[5,5]C[5]C[6])(C[5,6]C[5,6]2)(CCHH)	C[5,6](C[5,6]C[5,6]C[5]C[6])(C[5,6]C[5]C[6])(C[6]C[5,6]C){1|C<3>,1|O<1>,5|H<1>,6|C<4>}	C[5,6](C[5,6]C[5,6,6]C[5]C)(C[5,6]C[5,6]C[6])(C[6]C[6,6]O)(C[5]C[5]HH){1|N<3>,4|H<1>,7|C<4>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[5,6]C[5,6]2)(CCHH){3|C<3>,4|H<1>,5|C<4>}	129.5960	0.000	1	129.5960	0.000	1	129.5960	0.000	1	129.5960	0.000	1	129.2466	3.852	16	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:4:3:	3:3:4:1:	3:4:1:	C[5,6]-4:C[5,6]-4:C[6]-3:	C[6,6a]-3:C[5,6]-3:C[5,6]-4:H-1:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]N[5,6]C[6]H)(C[6]C[6]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]N[5,6]BrH)(H)	C[6](C[5,6]C[5,6]2)(C[6]C[6]BrH)(H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]N[5,6]C[6]H)(C[6]C[6]H){2|Br<1>,1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]N[5,6]BrH)(H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]2)(C[6]C[6]BrH)(H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	128.4880	0.000	1	128.4880	0.000	1	129.2610	0.454	3	129.2610	0.454	3	129.2466	3.852	16	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:4:3:	3:3:4:1:	3:4:1:	C[5,6]-4:C[5,6]-4:C[6]-3:	C[6,6a]-3:C[5,6]-3:C[5,6]-4:H-1:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]N[5,6]C[6]H)(C[6]C[6]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]N[5,6]HH)(H)	C[6](C[5,6]C[5,6]2)(C[6]C[6]HO)(H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]N[5,6]C[6]H)(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]N[5,6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]2)(C[6]C[6]HO)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	129.6475	0.104	2	129.6475	0.011	2	129.2610	0.454	3	129.2610	0.454	3	129.2466	3.852	16	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[5,5,6]-4:C[5,6]-4:C[6]-3:	C[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-3:C[6]-4:Cl-1:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[6]H)(C[6]C[6]Cl)	C[5,6](C[5,6]C[5,5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5,6])(C[6]C[5,6]ClH)(Cl)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[6]H)(C[6]C[6]Cl){10|H<1>,1|Cl<1>,1|C<3>,3|C<4>}	C[5,6](C[5,6]C[5,5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|Cl<1>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6])(C[6]C[5,6]ClH)(Cl){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	129.1930	0.000	1	129.1930	0.000	1	129.1930	0.000	1	129.1930	0.000	1	129.2466	3.852	16	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:4:3:	3:4:4:1:	3:4:4:	C[5,6]-4:C[5,6]-4:C[6]-3:	C[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-3:C[6]-4:C-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]C)	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2)(C[6]C[5,6]HH)(CH3)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]C){3|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]2)(C[6]C[5,6]HH)(CH3){1|C<3>,3|H<1>,4|C<4>}	130.0580	0.151	2	130.0580	0.023	2	130.0580	0.023	2	130.0580	0.023	2	129.2466	3.852	16	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:4:3:	3:4:4:4:	3:4:1:	C[5,6]-4:C[5,6]-4:C[6]-3:	C[5,6]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]H)	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]2)(C[6]C[6,6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]H){1|C<3>,4|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]2)(C[6]C[6,6]HH)(H){2|H<1>,6|C<4>}	126.6985	0.412	2	126.6985	0.170	2	126.6985	0.170	2	126.6985	0.170	2	129.2466	3.852	16	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:4:3:	4:3:4:4:	3:3:1:	C[5,6]-4:C[5,6]-4:C[6]-3:	C[5,6]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]2)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]H){1|O<1>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]2)(C[6]C[6]O)(H){3|H<1>,5|C<4>}	127.3710	0.000	1	127.3710	0.000	1	127.3710	0.000	1	127.3710	0.000	1	129.2466	3.852	16	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:4:3:	4:3:4:4:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6]-3:	C[5,5,6]-4:C[5,6]-3:C-4:C-4:	C[6,6]-4:C[5,6]-3:C[6]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6]C[6,6]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6])(CH3)2	C[6](C[6,6]C[6,6a]C[6]P[6])(C[5,6]C[5,5,6]C[5,6])(C[6]C[6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6]C[6,6]C[6]){1|C<4>,1|P<4>,3|C<3>,6|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6])(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6]P[6])(C[5,6]C[5,5,6]C[5,6])(C[6]C[6]H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>,6|C<4>}	133.4750	0.000	1	133.4750	0.000	1	133.4750	0.000	1	133.4750	0.000	1	129.2466	3.852	16	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6,6]	3:3:4:	3:2:1:1:	4:3:3:	C[6,6]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[6]-3:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6])(C[5]O[5]HH)	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(H)2	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6])(C[5]O[5]HH){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(H)2{1|C<3>,1|O<1>,2|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[6]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	127.1070	0.000	1	127.1070	0.000	1	127.1070	0.000	1	127.1070	0.000	1	127.1808	2.786	15	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6,6]	3:3:4:	3:3:1:1:	4:3:4:	C[6,6]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-3:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6])(C[5]C[5]HH)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]O)(H)2	C[6,6](C[6,6]C[6,6a]N[6]H)(C[5,6]C[5,6]C[5])(C[6]O[6]HH)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6])(C[5]C[5]HH){1|C<3>,1|N<3>,1|O<1>,1|O<2>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]O)(H)2{1|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6a]N[6]H)(C[5,6]C[5,6]C[5])(C[6]O[6]HH){1|C<4>,1|S<3>,2|H<1>,4|C<3>}	130.3760	0.294	2	130.3760	0.087	2	130.3760	0.087	2	130.3760	0.087	2	127.1808	2.786	15	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6,6]	3:4:4:	3:2:1:1:	3:4:4:	C[6,6]-3:C[5,6]-4:C[5]-4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-3:C[6,6]-4:C[6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]O[5]HH)	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(H)2	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2C)(C[6]N[6]HH)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]O[5]HH){1|N<3>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(H)2{2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2C)(C[6]N[6]HH){1|O<2>,1|S<4>,4|C<4>,6|H<1>}	128.3480	0.000	1	128.3480	0.000	1	128.3480	0.000	1	128.3480	0.000	1	127.1808	2.786	15	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6,6]	3:4:4:	3:3:1:1:	3:3:4:	C[6,6]-3:C[5,6]-4:C[5]-4:	C[5,6]-3:N[5]-3:H-1:H-1:	C[6,6a]-3:C[5,6]-3:C[6,6]-4:	C[5,6](C[6,6]C[6,6a]C[6,6])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)	C[5](C[5,6]C[5,6]C[6,6])(N[5]C[5]S)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6,6]C[6]2C)	C[5,6](C[6,6]C[6,6a]C[6,6])(C[5,6]C[5]C[6]H)(C[5]N[5]HH){1|S<4>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6])(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6,6]C[6]2C){1|N<3>,1|O<2>,2|C<3>,2|C<4>,8|H<1>}	127.2740	0.000	1	127.2740	0.000	1	127.2740	0.000	1	127.2740	0.000	1	127.1808	2.786	15	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6,6]	3:4:4:	3:4:1:1:	4:3:3:	C[6,6]-3:C[5,6]-4:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[6]-3:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH){1|C<3>,3|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]H){5|H<1>,7|C<4>}	126.4570	0.000	1	126.4570	0.000	1	127.1952	1.293	5	127.1952	1.293	5	127.1808	2.786	15	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6,6]	3:4:4:	3:4:1:1:	4:3:3:	C[6,6]-3:C[5,6]-4:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[6]-3:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]O)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH){1|C<2>,1|O<1>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)2{1|C<2>,1|C<3>,1|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]O){2|C<3>,5|C<4>,6|H<1>}	127.9827	0.252	3	127.9827	0.064	3	127.1952	1.293	5	127.1952	1.293	5	127.1808	2.786	15	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6,6]	3:4:4:	3:4:1:1:	4:3:3:	C[6,6]-3:C[5,6]-4:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[6]-3:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5,6]C[5])(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5,6]C[5])(C[6]C[6]H){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	125.5710	0.000	1	125.5710	0.000	1	127.1952	1.293	5	127.1952	1.293	5	127.1808	2.786	15	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6,6]	3:4:4:	3:4:1:1:	4:3:4:	C[6,6]-3:C[5,6]-4:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH){1|O<2>,4|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)2{1|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]C[5])(C[6]C[6]HH){2|O<2>,4|H<1>,7|C<4>}	125.7345	0.188	4	125.7345	0.035	4	125.6510	0.061	5	125.6510	0.061	5	127.1808	2.786	15	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6,6]	3:4:4:	3:4:1:1:	4:3:4:	C[6,6]-3:C[5,6]-4:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH){4|C<4>,8|H<1>}	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)2{1|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH){6|H<1>,7|C<4>}	125.3170	0.000	1	125.3170	0.000	1	125.6510	0.061	5	125.6510	0.061	5	127.1808	2.786	15	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:3:4:	3:2:4:4:	3:3:1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:O[5]-2:C-4:C-4:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6,6a]O)(C[5]O[5]CC)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(CH3)2	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6]C[5])(O)	C[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6,6a]O)(C[5]O[5]CC){1|O<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(CH3)2{2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6]C[5])(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	125.0430	1.041	2	125.0430	1.083	2	125.0430	1.083	2	125.0430	1.083	2	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:3:4:	3:3:1:1:	3:4:4:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5,6]-3:C[6,6]-4:C-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]C)(C[5]N[5]HH)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6]3)(CH3)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]C)(C[5]N[5]HH){1|C<3>,1|S<4>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6]3)(CH3){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	127.8450	0.000	1	127.8450	0.000	1	127.8450	0.000	1	127.8450	0.000	1	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:3:4:	3:3:2:2:	3:3:3:	C[6]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-3:C-2:C-2:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6](C[6]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]CC)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CN)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)	C[5,6](C[6]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]CC){1|C<2>,1|O<1>,6|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CN)2{1|C<2>,1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2){1|C<4>,2|C<2>,3|H<1>,6|C<3>}	127.4193	0.109	3	127.4193	0.012	3	127.4193	0.012	3	127.4193	0.012	3	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:3:4:	3:3:4:1:	3:3:1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:N[5]-3:C-4:H-1:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6,6a]O)(C[5]N[5]CH)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5,5]H)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O)	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6,6a]O)(C[5]N[5]CH){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5,5]H)(CCHH)(H){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	126.5700	0.000	1	126.5700	0.000	1	126.7400	0.194	3	126.7400	0.194	3	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:3:4:	3:3:4:1:	3:3:1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:N[5]-3:C-4:H-1:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6,6a]O)(C[5]N[5]CH)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5,5]H)(CC[6a]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O)	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6,6a]O)(C[5]N[5]CH){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5,5]H)(CC[6a]HH)(H){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	126.4100	0.000	1	126.4100	0.000	1	126.7400	0.194	3	126.7400	0.194	3	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:3:4:	3:3:4:1:	3:3:1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:N[5]-3:C-4:H-1:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]N[5]CH)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]H)(CC3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]N[5]CH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]H)(CC3)(H){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	127.2400	0.000	1	127.2400	0.000	1	126.7400	0.194	3	126.7400	0.194	3	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:3:4:	3:3:4:1:	4:3:4:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-3:C-4:H-1:	C[5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]C)(C[5]C[5]CH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(CH3)(H)	C[6](C[5,6]C[5,6]C[5]Ru)(C[5,6]C[5,6]C[5])(CH3)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]C)(C[5]C[5]CH){1|Ru<8>,5|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(CH3)(H){1|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]Ru)(C[5,6]C[5,6]C[5])(CH3){1|H<1>,3|C<3>,4|C<4>}	128.4390	0.000	1	128.4390	0.000	1	128.4390	0.000	1	128.4390	0.000	1	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:3:4:	3:3:4:3:	3:3:1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:N[5]-3:C-4:C-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]N[5]CC)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]H)(CC[6a]HH)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]N[5]CC){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]H)(CC[6a]HH)(COO){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	124.7070	0.000	1	124.7070	0.000	1	124.4235	0.161	2	124.4235	0.161	2	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:3:4:	3:3:4:3:	3:3:1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:N[5]-3:C-4:C-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]N[5]CC)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]H)(CH3)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]N[5]CC){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]H)(CH3)(COO){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	124.1400	0.000	1	124.1400	0.000	1	124.4235	0.161	2	124.4235	0.161	2	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:3:4:	3:3:4:4:	3:3:1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-3:C-4:C-4:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]O)(C[5]C[5]CC)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CH3)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]O)(C[5]C[5]CC){2|O<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CH3)2{1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	127.4160	0.000	1	127.4160	0.000	1	127.4160	0.000	1	127.4160	0.000	1	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:3:4:	3:3:4:4:	4:3:1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-3:C-4:C-4:	C[3,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,6]C[6]N[5])(C[6]C[3,6]H)(C[5]C[5]CC)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CH3)2	C[6](C[3,6]C[3]C[6]O[3])(C[5,6]C[5,6]C[5])(H)	C[5,6](C[5,6]C[6]N[5])(C[6]C[3,6]H)(C[5]C[5]CC){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[3,6]C[3]C[6]O[3])(C[5,6]C[5,6]C[5])(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	130.3230	0.000	1	130.3230	0.000	1	130.3230	0.000	1	130.3230	0.000	1	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:N[5,6]-3:O-1:	C[5,6](C[5,6]C[5]O[6])(C[6]N[5,6]O)(C[5]C[5]HH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2	C[6](C[5,6]C[5,6]C[5])(N[5,6]C[5,6]C[5])(O)	C[5,6](C[5,6]C[5]O[6])(C[6]N[5,6]O)(C[5]C[5]HH){2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2{1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(N[5,6]C[5,6]C[5])(O){1|O<2>,4|C<4>,5|H<1>}	128.2050	0.000	1	128.2050	0.000	1	128.2050	0.000	1	127.6252	6.883	9	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]C[5]HH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]C[5]HH){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O){2|C<4>,3|C<3>,3|H<1>}	125.0168	0.177	4	125.0168	0.031	4	125.8832	3.777	5	127.6252	6.883	9	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[6]O[5])(C[6]C[6,6a]O)(C[5]C[5]HH)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O)	C[5,6](C[5,6]C[6]O[5])(C[6]C[6,6a]O)(C[5]C[5]HH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(H)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	129.3490	0.000	1	129.3490	0.000	1	125.8832	3.777	5	127.6252	6.883	9	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5a,6]-3:C[5,6]-3:H-1:	C[5,6](N[5,6]B[6]C[5])(C[6]C[5a,6]H)(C[5]C[5]HH)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]CC)(H)2	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5])(H)	C[5,6](N[5,6]B[6]C[5])(C[6]C[5a,6]H)(C[5]C[5]HH){1|C<3>,1|N<3>,2|F<1>,3|C<4>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]CC)(H)2{1|B<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5])(H){1|Br<1>,1|B<4>,1|C<4>,2|H<1>,3|C<3>}	131.1230	0.000	1	130.1025	2.083	2	130.1025	2.083	2	127.6252	6.883	9	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5a,6]-3:C[5,6]-3:H-1:	C[5,6](N[5,6]B[6]C[5])(C[6]C[5a,6]H)(C[5]C[5]HH)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]CC)(H)2	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5])(H)	C[5,6](N[5,6]B[6]C[5])(C[6]C[5a,6]H)(C[5]C[5]HH){1|C<3>,1|N<3>,5|C<4>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]CC)(H)2{1|B<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5])(H){1|Br<1>,1|B<4>,1|C<4>,2|H<1>,3|C<3>}	129.0820	0.000	1	130.1025	2.083	2	130.1025	2.083	2	127.6252	6.883	9	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-3:H-1:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]H)(C[5]C[5]HH)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5])(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]H)(C[5]C[5]HH){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5])(H){2|C<4>,3|C<3>,3|H<1>}	130.8010	0.000	1	130.8010	0.000	1	130.8010	0.000	1	127.6252	6.883	9	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[5a]-3:N[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[5a]N[6])(C[5]C[5]HH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[5a]C[5a]S[5a])(N[6]C[6]Pt)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5a]N[6])(C[5]C[5]HH){1|Pt<4>,1|S<2>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[5a]C[5a]S[5a])(N[6]C[6]Pt){2|C<4>,3|C<3>,3|H<1>}	127.7278	0.507	4	127.7278	0.257	4	127.7278	0.257	4	129.3711	3.086	21	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6,6]-3:C-3:	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6,6]C)(C[5]C[5]HH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]N[6])(COO)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6,6]C)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]N[6])(COO){1|S<2>,2|C<3>,2|C<4>,4|H<1>}	127.0680	0.706	2	127.0680	0.498	2	127.0283	0.254	3	129.3711	3.086	21	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6,6]-3:C-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]C)(C[5]C[5]HH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]N[6])(COO)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]C)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]N[6])(COO){1|S<2>,2|C<3>,2|C<4>,4|H<1>}	126.9490	0.000	1	126.9490	0.000	1	127.0283	0.254	3	129.3711	3.086	21	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-3:N[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]N[6])(C[5]C[5]HH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]N[6])(N[6]N[6]Zn)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]N[6])(C[5]C[5]HH){1|Zn<6>,2|C<3>,2|N<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]N[6])(N[6]N[6]Zn){1|Zn<6>,2|C<4>,3|C<3>,3|H<1>}	131.3815	0.404	6	131.3815	0.163	6	131.3815	0.163	6	129.3711	3.086	21	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6a]-3:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6a]C[6])(C[5]C[5]HH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]N[6]H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6a]C[6])(C[5]C[5]HH){1|N<3>,3|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]N[6]H){1|Pt<4>,2|C<4>,3|C<3>,4|H<1>}	129.8010	0.904	5	129.8010	0.817	5	129.8010	0.817	5	129.3711	3.086	21	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6a]-3:N[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6a]N[6])(C[5]C[5]HH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(N[6]C[6]Pt)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6a]N[6])(C[5]C[5]HH){1|Pt<4>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(N[6]C[6]Pt){2|C<4>,3|C<3>,4|H<1>}	127.5780	0.000	1	127.5780	0.000	1	127.5780	0.000	1	129.3711	3.086	21	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:3:4:	3:4:1:1:	3:3:3:	C[6]-3:N[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C[5,6]-3:	C[5,6](C[6]C[6,6a]C[6])(N[5,6]C[5]C[6])(C[5]C[5]HH)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[5,6])(C[5,6]N[5,6]C[5])	C[5,6](C[6]C[6,6a]C[6])(N[5,6]C[5]C[6])(C[5]C[5]HH){1|O<1>,4|C<3>,4|H<1>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[5,6])(C[5,6]N[5,6]C[5]){1|N<3>,3|C<4>,3|H<1>,5|C<3>}	129.9630	0.010	2	129.9630	0.000	2	129.9630	0.000	2	129.3711	3.086	21	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:3:4:	3:4:1:1:	4:3:1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]H)(C[5]C[5]HH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](C[5,6]C[5,6]C[5]Hf)(C[5,6]C[5,6]C[5])(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]H)(C[5]C[5]HH){1|Hf<12>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]Hf)(C[5,6]C[5,6]C[5])(H){1|C<3>,2|H<1>,5|C<4>}	128.0520	0.000	1	128.4615	0.335	2	128.3904	0.099	5	128.6045	0.245	8	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:3:4:	3:4:1:1:	4:3:1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]H)(C[5]C[5]HH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](C[5,6]C[5,6]C[5]Hf)(C[5,6]C[5,6]C[5])(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]H)(C[5]C[5]HH){1|Hf<12>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]Hf)(C[5,6]C[5,6]C[5])(H){1|C<3>,3|H<1>,4|C<4>}	128.8710	0.000	1	128.4615	0.335	2	128.3904	0.099	5	128.6045	0.245	8	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:3:4:	3:4:1:1:	4:3:1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]H)(C[5]C[5]HH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](C[5,6]C[5,6]C[5]Zr)(C[5,6]C[5,6]C[5])(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]H)(C[5]C[5]HH){1|Zr<13>,1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]Zr)(C[5,6]C[5,6]C[5])(H){1|Si<5>,1|C<3>,2|H<1>,4|C<4>}	128.3710	0.000	1	128.3430	0.022	3	128.3904	0.099	5	128.6045	0.245	8	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:3:4:	3:4:1:1:	4:3:1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]H)(C[5]C[5]HH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](C[5,6]C[5,6]C[5]Zr)(C[5,6]C[5,6]C[5])(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]H)(C[5]C[5]HH){1|Zr<14>,1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]Zr)(C[5,6]C[5,6]C[5])(H){1|Si<5>,1|C<3>,2|H<1>,4|C<4>}	128.3290	0.206	2	128.3430	0.022	3	128.3904	0.099	5	128.6045	0.245	8	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:3:4:	3:4:1:1:	4:3:1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-3:O-1:	C[5,6](C[5,6]C[6,6]O[5])(C[6]C[6,6]O)(C[5]C[5]HH)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(O)	C[5,6](C[5,6]C[6,6]O[5])(C[6]C[6,6]O)(C[5]C[5]HH){1|H<1>,2|C<3>,4|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(H)2{1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(O){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	128.9613	0.594	3	128.9613	0.353	3	128.9613	0.353	3	128.6045	0.245	8	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:3:4:	3:4:1:1:	4:3:3:	C[6]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[6]C[5,6]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]HH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](C[5,6]C[5,6]C[5]Zr)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)	C[5,6](C[6]C[5,6]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]HH){1|Zr<13>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]Zr)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2){3|C<3>,4|C<4>,5|H<1>}	127.8920	0.000	1	128.3590	0.189	3	128.3590	0.189	3	128.3590	0.189	3	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:3:4:	3:4:1:1:	4:3:3:	C[6]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[6]C[5,6]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]HH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](C[5,6]C[5,6]C[5]Zr)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)	C[5,6](C[6]C[5,6]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]HH){1|Zr<14>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]Zr)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2){3|C<3>,4|C<4>,5|H<1>}	128.5925	0.224	2	128.3590	0.189	3	128.3590	0.189	3	128.3590	0.189	3	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:3:4:	3:4:1:1:	4:3:4:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]C)(C[5]C[5]HH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](C[5,6]C[5,6]C[5]Fe)(C[5,6]C[5,6]C[5])(CH3)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]C)(C[5]C[5]HH){1|Fe<10>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]Fe)(C[5,6]C[5,6]C[5])(CH3){1|C<3>,3|H<1>,4|C<4>}	128.1460	0.194	2	128.1460	0.038	2	128.0510	0.138	4	128.0510	0.138	4	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:3:4:	3:4:1:1:	4:3:4:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]C)(C[5]C[5]HH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](C[5,6]C[5,6]C[5]Ru)(C[5,6]C[5,6]C[5])(CH3)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]C)(C[5]C[5]HH){1|Ru<10>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]Ru)(C[5,6]C[5,6]C[5])(CH3){1|C<3>,3|H<1>,4|C<4>}	127.9560	0.583	2	127.9560	0.339	2	128.0510	0.138	4	128.0510	0.138	4	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:3:4:	3:4:2:1:	3:3:1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:O-2:H-1:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[6]O[5])(C[6]C[6,6a]O)(C[5]C[5]HO)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O)	C[5,6](C[5,6]C[6]O[5])(C[6]C[6,6a]O)(C[5]C[5]HO){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(OH)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	129.9420	0.000	1	129.9420	0.000	1	129.9420	0.000	1	129.9420	0.000	1	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:3:4:	3:4:4:1:	4:3:4:	N[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:S-4:H-1:	C[5]-4:C[5,6]-3:C[6]-4:	C[5,6](N[5,6]C[5,5]C[6])(C[6]C[5]C[6])(C[5]C[5]HS)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5,5]CH)(SC[6a]OO)(H)	C[6](C[5]C[5,6a]C[5]H)(C[5,6]N[5,6]C[5])(C[6]C[6]HH)	C[5,6](N[5,6]C[5,5]C[6])(C[6]C[5]C[6])(C[5]C[5]HS){2|C<4>,4|C<3>,6|H<1>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[5,5]CH)(SC[6a]OO)(H){2|C<3>,3|C<4>}	C[6](C[5]C[5,6a]C[5]H)(C[5,6]N[5,6]C[5])(C[6]C[6]HH){1|O<1>,1|S<4>,3|C<3>,3|C<4>,3|H<1>}	129.6440	0.000	1	129.6440	0.000	1	129.6440	0.000	1	129.6440	0.000	1	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5,6]-3:C[5,6]-3:H-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]H)(C[5]C[5]CC)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCHH)2	C[6](C[5,6]C[5,6]C[5])2(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]H)(C[5]C[5]CC){1|Cu<2>,1|Cu<3>,1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCHH)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5])2(H){9|C<4>}	126.0575	1.051	2	126.2013	0.581	4	126.2013	0.581	4	125.6214	1.763	15	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5,6]-3:C[5,6]-3:H-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]H)(C[5]C[5]CC)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCHH)2	C[6](C[5,6]C[5,6]C[5])2(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]H)(C[5]C[5]CC){2|Cu<2>,1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCHH)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5])2(H){9|C<4>}	126.3450	0.744	2	126.2013	0.581	4	126.2013	0.581	4	125.6214	1.763	15	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5,6]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]CC)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCHH)2	C[6](C[5,6]C[5,6]C[5])2(O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]CC){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCHH)2{1|O<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5])2(O){1|C<3>,8|C<4>}	124.5995	0.346	2	124.5995	0.120	2	124.6909	0.491	8	125.6214	1.763	15	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5,6]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]CC)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)2	C[6](C[5,6]C[5,6]C[5])2(O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]CC){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)2{1|O<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5])2(O){1|C<3>,8|C<4>}	125.2225	0.299	4	124.7213	0.658	6	124.6909	0.491	8	125.6214	1.763	15	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5,6]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]CC)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)2	C[6](C[5,6]C[5,6]C[5])2(O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]CC){1|C<3>,1|S<1>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)2{1|O<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5])2(O){1|C<3>,8|C<4>}	123.7190	0.096	2	124.7213	0.658	6	124.6909	0.491	8	125.6214	1.763	15	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5,6]-3:C[5,6]-3:S-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]S)(C[5]C[5]CC)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCHH)2	C[6](C[5,6]C[5,6]C[5])2(S)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]S)(C[5]C[5]CC){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCHH)2{1|S<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5])2(S){1|C<3>,8|C<4>}	126.6860	0.011	2	126.6860	0.000	2	126.6860	0.000	2	125.6214	1.763	15	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:3:4:	3:4:4:4:	3:3:1:	N[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5a,6]-3:C[5,6]-3:H-1:	C[5,6](N[5,6]B[6]C[5])(C[6]C[5a,6]H)(C[5]C[5]CC)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CH3)2	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5])(H)	C[5,6](N[5,6]B[6]C[5])(C[6]C[5a,6]H)(C[5]C[5]CC){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CH3)2{1|B<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5])(H){1|B<4>,3|C<4>,4|C<3>}	128.6170	0.000	1	128.6170	0.000	1	128.6170	0.000	1	125.6214	1.763	15	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:3:4:	3:4:4:4:	3:3:4:	C[6]-3:N[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-4:C-4:C-4:	P[3x6]-3:C[5,6]-3:C[3x6]-4:	C[5,6](C[6]C[3x6]P[3x6])(N[5,6]C[3x6]C[5])(C[5]C[5]CC)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CCHH)2	C[6](P[3x6]C[4x6]C[6,6])(C[5,6]N[5,6]C[5])(C[3x6]C[6,6]3)	C[5,6](C[6]C[3x6]P[3x6])(N[5,6]C[3x6]C[5])(C[5]C[5]CC){1|C<3>,2|H<1>,7|C<4>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CCHH)2{1|C<3>,1|P<3>,3|C<4>}	C[6](P[3x6]C[4x6]C[6,6])(C[5,6]N[5,6]C[5])(C[3x6]C[6,6]3){2|C<3>,8|H<1>,9|C<4>}	133.9920	0.000	1	133.9920	0.000	1	133.9920	0.000	1	133.5210	0.444	2	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:3:4:	3:4:4:4:	3:3:4:	N[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:C-4:C-4:	P[3x6]-3:C[5,6]-3:C-4:	C[5,6](N[5,6]C[3x6]C[5])(C[6]P[3x6]C)(C[5]C[5]CC)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CCHH)2	C[6](P[3x6]C[4x6]C[6,6])(C[5,6]N[5,6]C[5])(CC3)	C[5,6](N[5,6]C[3x6]C[5])(C[6]P[3x6]C)(C[5]C[5]CC){1|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CCHH)2{1|C<3>,1|P<3>,3|C<4>}	C[6](P[3x6]C[4x6]C[6,6])(C[5,6]N[5,6]C[5])(CC3){2|C<3>,2|H<1>,6|C<4>}	133.0500	0.000	1	133.0500	0.000	1	133.0500	0.000	1	133.5210	0.444	2	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:2:1:1:	3:3:1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]C[3,5,6,6]C[5])(C[5]O[5]HH)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[3,5,6,6]H)(H)	C[5,6](C[5,6]C[3,5,6,6]C[5])(C[5]O[5]HH)(C[6]C[6]H){1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[3,5,6,6]H)(H){1|O<2>,2|H<1>,4|C<4>}	127.3850	0.352	2	127.3850	0.124	2	121.3690	108.639	3	123.4107	58.739	6	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:2:1:1:	3:3:1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]C[5,6]C)(C[5]O[5]HH)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5,6])(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6]C)(C[5]O[5]HH)(C[6]C[6]H){1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5,6])(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	109.3370	0.000	1	109.3370	0.000	1	121.3690	108.639	3	123.4107	58.739	6	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:2:1:1:	3:3:1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-3:N[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]N[6]H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	C[6](C[5,6]C[5,6]C[5])(N[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]N[6]H){1|C<3>,2|H<1>,2|O<2>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(N[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	131.2330	0.000	1	131.2330	0.000	1	131.2330	0.000	1	123.4107	58.739	6	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:2:1:1:	3:3:1:	N[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]In[5,5,6,6]C[6])(C[5]O[5]HH)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(O[5]In[5,5,6,6])(H)2	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]In[5,5,6,6]C[6])(C[5]O[5]HH)(C[6]C[6]H){1|C<3>,2|H<1>,2|N<3>,2|O<2>}	C[5](C[5,6]N[5,6]C[6])(O[5]In[5,5,6,6])(H)2{1|H<1>,2|C<3>,2|N<3>,2|O<2>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|O<2>,3|H<1>}	122.5620	1.133	2	122.5620	1.283	2	122.5620	1.283	2	123.4107	58.739	6	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:2:1:1:	3:4:1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-3:C[6]-4:O-1:	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]O){3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|H<1>,1|O<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|O<2>,2|C<4>,4|H<1>}	125.7650	0.000	1	125.7650	0.000	1	125.7650	0.000	1	125.7650	0.000	1	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:2:2:1:	3:3:2:	C[5,6,6a]-3:C[5]-4:C[6]-3:	C[5,6]-3:O[5]-2:O-2:H-1:	C[5,6]-3:C[6]-3:O-2:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]O[5]HO)(C[6]C[6]O)	C[5](C[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(OC)(H)	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6]O)(OC)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]O[5]HO)(C[6]C[6]O){1|O<1>,3|C<3>}	C[5](C[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(OC)(H){1|O<2>,3|C<3>}	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6]O)(OC){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	136.9870	0.000	1	136.9870	0.000	1	136.9870	0.000	1	133.6120	22.781	2	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:2:2:1:	3:3:2:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:O[5]-2:O-2:H-1:	C[5,6]-3:C[6]-3:O-2:	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(OC)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]N[6]C)(OH)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]O){1|C<4>,1|N<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(OC)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]N[6]C)(OH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	130.2370	0.000	1	130.2370	0.000	1	130.2370	0.000	1	133.6120	22.781	2	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:2:4:1:	3:3:1:	N[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:O[5]-2:C-4:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]B[5,5]C[6])(C[5]O[5]CH)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(O[5]B[5,5])(CH3)(H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]B[5,5]C[6])(C[5]O[5]CH)(C[6]C[6]H){1|C<3>,2|H<1>,2|O<2>}	C[5](C[5,6]N[5,6]C[6])(O[5]B[5,5])(CH3)(H){1|H<1>,2|C<3>,2|O<2>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	129.7985	0.288	4	129.7985	0.083	4	129.7985	0.083	4	129.7985	0.083	4	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:2:4:2:	3:3:1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:O[5]-2:C-4:O-2:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]C[6]N[5])(C[5]O[5]CO)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(O[5]N[5])(CF3)(OH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(H)	C[5,6](C[5,6]C[6]N[5])(C[5]O[5]CO)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]N[5])(CF3)(OH){1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|O<2>}	132.8460	0.000	1	132.8460	0.000	1	132.8460	0.000	1	132.8460	0.000	1	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:3:1:1:	3:3:1:	C[5,6,6]-3:C[5]-4:C[6]-3:	C[5,6a]-3:C[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5]C[5,6a]HH)(C[6]C[6]H)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6])(H)2	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[5,6]H)(H)	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5]C[5,6a]HH)(C[6]C[6]H){1|Hf<12>,1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6])(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[5,6]H)(H){1|Hf<12>,2|C<3>,2|C<4>,2|H<1>}	133.3740	0.000	1	133.3740	0.000	1	133.3740	0.000	1	128.8331	21.857	25	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:3:1:1:	3:3:1:	C[5,6,6]-3:C[5]-4:C[6]-3:	C[5,6a]-3:C[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-3:O-1:	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5]C[5,6a]HH)(C[6]C[6]O)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6])(H)2	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[5,6]H)(O)	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5]C[5,6a]HH)(C[6]C[6]O){1|H<1>,1|O<2>,4|C<3>}	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[5,6]H)(O){2|C<3>,2|C<4>,2|H<1>}	129.6390	0.177	2	129.6390	0.031	2	129.6390	0.031	2	128.8331	21.857	25	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:3:1:1:	3:3:1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]HH)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])2(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]HH)(C[6]C[6]H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,6]C[5,6]C[6])2(H)2{2|C<3>,2|H<1>,2|N<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|N<3>,2|C<3>,3|H<1>}	136.3260	0.212	2	135.2487	0.738	6	135.2487	0.738	6	128.8331	21.857	25	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:3:1:1:	3:3:1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]HH)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])2(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]HH)(C[6]C[6]H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,6]C[5,6]C[6])2(H)2{2|C<3>,2|H<1>,2|N<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|N<3>,2|H<1>,3|C<3>}	134.8250	0.079	2	135.2487	0.738	6	135.2487	0.738	6	128.8331	21.857	25	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:3:1:1:	3:3:1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]HH)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])2(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]HH)(C[6]C[6]H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,6]C[5,6]C[6])2(H)2{2|C<3>,2|H<1>,2|N<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|N<3>,2|C<3>,3|H<1>}	134.5950	0.321	2	135.2487	0.738	6	135.2487	0.738	6	128.8331	21.857	25	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:3:1:1:	3:3:1:	C[5,6]-3:C[5]-4:C[6]-3:	N[5,6a]-3:C[5,6]-3:H-1:H-1:	C[6,6a]-3:C[5,6]-3:H-1:	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	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)	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>}	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>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H){2|N<3>,3|C<3>,3|H<1>}	130.5705	0.705	2	130.5705	0.497	2	130.5705	0.497	2	128.8331	21.857	25	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:3:1:1:	3:3:1:	N[5,5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:N[5,5]-3:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,5,6]Ga[5x5]C[5,6])(C[5]N[5,5]HH)(C[6]C[6]H)	C[5](C[5,6]N[5,5,6]C[6])(N[5,5]Ga[5x5]C[5])(H)2	C[6](C[5,6]N[5,5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,5,6]Ga[5x5]C[5,6])(C[5]N[5,5]HH)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,1|N<4>,2|C<3>,2|O<2>}	C[5](C[5,6]N[5,5,6]C[6])(N[5,5]Ga[5x5]C[5])(H)2{1|C<4>,1|N<3>,1|N<4>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[5,6]N[5,5,6]C[5])(C[6]C[6]H)(H){1|Ga<6>,1|C<3>,1|N<3>,3|H<1>}	126.4080	0.000	1	126.4080	0.000	1	126.4080	0.000	1	128.8331	21.857	25	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:3:1:1:	3:3:1:	N[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]B[5]C[6])(C[5]N[5]HH)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(N[5]C[6a]B[5])(H)2	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]B[5]C[6])(C[5]N[5]HH)(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,6]N[5,6]C[6])(N[5]C[6a]B[5])(H)2{1|O<2>,2|H<1>,4|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|N<3>,3|H<1>}	127.2080	0.000	1	127.0990	0.024	2	127.8978	6.817	4	128.8331	21.857	25	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:3:1:1:	3:3:1:	N[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]B[5]C[6])(C[5]N[5]HH)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(N[5]C[6a]B[5])(H)2	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]B[5]C[6])(C[5]N[5]HH)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,6]N[5,6]C[6])(N[5]C[6a]B[5])(H)2{3|H<1>,4|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|N<3>,3|H<1>}	126.9900	0.000	1	127.0990	0.024	2	127.8978	6.817	4	128.8331	21.857	25	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:3:1:1:	3:3:1:	N[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]C)(H)2	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]C)(H)2{2|H<1>,3|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	131.6860	0.000	1	131.6860	0.000	1	127.8978	6.817	4	128.8331	21.857	25	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:3:1:1:	3:3:1:	N[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]Si[5]C[6])(C[5]N[5]HH)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(N[5]C[6a]Si[5])(H)2	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]Si[5]C[6])(C[5]N[5]HH)(C[6]C[6]H){3|Cl<1>,2|C<3>,2|H<1>}	C[5](C[5,6]N[5,6]C[6])(N[5]C[6a]Si[5])(H)2{3|Cl<1>,1|H<1>,4|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|N<3>,3|H<1>}	125.7070	0.000	1	125.7070	0.000	1	127.8978	6.817	4	128.8331	21.857	25	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:3:1:1:	3:3:1:	N[5,6]-3:C[5]-4:C[6]-3:	N[5,5]-3:C[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]Si[5,5]C[6])(C[5]N[5,5]HH)(C[6]C[6]H)	C[5](N[5,5]C[5,6a]Si[5,5])(C[5,6]N[5,6]C[6])(H)2	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]Si[5,5]C[6])(C[5]N[5,5]HH)(C[6]C[6]H){1|Br<1>,1|S<2>,2|H<1>,3|C<3>}	C[5](N[5,5]C[5,6a]Si[5,5])(C[5,6]N[5,6]C[6])(H)2{1|Br<1>,1|H<1>,1|S<2>,5|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|N<3>,3|H<1>}	124.6040	0.000	1	124.9550	0.118	7	124.9550	0.118	7	128.8331	21.857	25	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:3:1:1:	3:3:1:	N[5,6]-3:C[5]-4:C[6]-3:	N[5,5]-3:C[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]Si[5,5]C[6])(C[5]N[5,5]HH)(C[6]C[6]H)	C[5](N[5,5]C[5,6a]Si[5,5])(C[5,6]N[5,6]C[6])(H)2	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]Si[5,5]C[6])(C[5]N[5,5]HH)(C[6]C[6]H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5](N[5,5]C[5,6a]Si[5,5])(C[5,6]N[5,6]C[6])(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<2>,4|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|N<3>,3|H<1>}	125.2190	0.000	1	124.9550	0.118	7	124.9550	0.118	7	128.8331	21.857	25	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:3:1:1:	3:3:1:	N[5,6]-3:C[5]-4:C[6]-3:	N[5,5]-3:C[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]Si[5,5]C[6])(C[5]N[5,5]HH)(C[6]C[6]H)	C[5](N[5,5]C[5,6a]Si[5,5])(C[5,6]N[5,6]C[6])(H)2	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]Si[5,5]C[6])(C[5]N[5,5]HH)(C[6]C[6]H){1|Cl<1>,1|S<2>,2|H<1>,3|C<3>}	C[5](N[5,5]C[5,6a]Si[5,5])(C[5,6]N[5,6]C[6])(H)2{1|Cl<1>,1|H<1>,1|S<2>,5|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|N<3>,3|H<1>}	124.9180	0.355	2	124.9550	0.118	7	124.9550	0.118	7	128.8331	21.857	25	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:3:1:1:	3:3:1:	N[5,6]-3:C[5]-4:C[6]-3:	N[5,5]-3:C[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]Si[5,5]C[6])(C[5]N[5,5]HH)(C[6]C[6]H)	C[5](N[5,5]C[5,6a]Si[5,5])(C[5,6]N[5,6]C[6])(H)2	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]Si[5,5]C[6])(C[5]N[5,5]HH)(C[6]C[6]H){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[5](N[5,5]C[5,6a]Si[5,5])(C[5,6]N[5,6]C[6])(H)2{1|H<1>,1|N<2>,1|S<2>,5|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|N<3>,3|H<1>}	125.0087	0.436	3	124.9550	0.118	7	124.9550	0.118	7	128.8331	21.857	25	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:3:1:1:	3:3:1:	N[5,6]-3:C[5]-4:C[6]-3:	N[5,6]-3:C[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]Ga[5,5,6,6]C[6])(C[5]N[5,6]HH)(C[6]C[6]H)	C[5](N[5,6]Ga[5,5,6,6]S[6])(C[5,6]N[5,6]C[6])(H)2	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]Ga[5,5,6,6]C[6])(C[5]N[5,6]HH)(C[6]C[6]H){1|C<3>,1|S<4>,2|H<1>,2|N<3>,2|O<2>}	C[5](N[5,6]Ga[5,5,6,6]S[6])(C[5,6]N[5,6]C[6])(H)2{1|H<1>,2|N<3>,2|O<1>,2|O<2>,3|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Ga<6>,1|C<3>,1|N<3>,3|H<1>}	121.4295	0.016	2	121.4295	0.000	2	121.4295	0.000	2	128.8331	21.857	25	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:3:1:1:	3:4:2:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6a]-3:C[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:O-2:	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]HH)(C[6]C[6]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(OH)	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]HH)(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(OH){1|N<3>,2|C<3>,4|H<1>}	130.2430	0.000	1	130.2430	0.000	1	130.2430	0.000	1	130.2430	0.000	1	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:3:1:1:	3:4:4:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]C)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(CH3)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]C){1|S<4>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(CH3){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	127.2460	0.000	1	127.2460	0.000	1	127.2460	0.000	1	127.2460	0.000	1	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:3:3:2:	3:4:1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-3:C-3:O-2:	C[5,6]-3:C[6]-4:O-1:	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]CO)(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]C)(COO)(OH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]CO)(C[6]C[6]O){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]C)(COO)(OH){1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	127.9100	0.000	1	127.9100	0.000	1	127.9100	0.000	1	127.9100	0.000	1	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:3:4:1:	3:3:1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5,6]-3:C-4:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]CH)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])2(CCHH)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]CH)(C[6]C[6]H){1|Ru<8>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,6]C[5,6]C[6])2(CCHH)(H){2|C<3>,2|H<1>,2|N<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	135.7735	0.622	2	135.7735	0.386	2	135.7735	0.386	2	135.3727	0.675	3	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:3:4:1:	3:3:1:	N[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:N[5]-3:C-4:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]CH)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Cd)(CC[6]CH)(H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]CH)(C[6]C[6]H){1|Cd<5>,2|C<3>,2|H<1>}	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Cd)(CC[6]CH)(H){1|H<1>,3|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	134.5710	0.000	1	134.5710	0.000	1	134.5710	0.000	1	135.3727	0.675	3	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:3:4:1:	3:4:4:	N[5,6]-3:C[5]-4:C[6]-3:	C[5,6a]-3:C[5,6]-3:C-4:H-1:	C[5,6]-3:C[6]-4:C-4:	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CH)(C[6]C[6]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])(CCHH)(H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(CCHH)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CH)(C[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])(CCHH)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(CCHH){1|C<4>,3|C<3>,3|H<1>}	130.3330	0.000	1	130.3330	0.000	1	130.3330	0.000	1	130.3330	0.000	1	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:3:4:2:	3:3:1:	N[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-3:C-4:O-2:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CO)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]Fe)(CH3)(OH)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CO)(C[6]C[6]H){1|Fe<6>,2|C<3>,2|H<1>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]Fe)(CH3)(OH){1|H<1>,3|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	130.9550	0.000	1	130.9550	0.000	1	130.7535	0.081	2	130.7535	0.081	2	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:3:4:2:	3:3:1:	N[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-3:C-4:O-2:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]CO)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]Ru)(CH3)(OH)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6,6a]H)(H)	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]CO)(C[6]C[6]H){1|Ru<6>,2|C<3>,2|H<1>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]Ru)(CH3)(OH){2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6,6a]H)(H){1|C<4>,1|O<2>,4|C<3>}	130.5520	0.000	1	130.5520	0.000	1	130.7535	0.081	2	130.7535	0.081	2	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:3:4:4:	3:3:1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5,6]-3:C-4:C-4:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]CC)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])2(CCHH)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]CC)(C[6]C[6]H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,6]C[5,6]C[6])2(CCHH)2{2|C<3>,2|H<1>,2|N<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	134.9505	0.575	2	134.9505	0.330	2	134.9505	0.330	2	130.4087	8.427	8	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:3:4:4:	3:3:1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-3:C-4:C-4:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]CC)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CH3)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(H)	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]CC)(C[6]C[6]H){1|H<1>,2|C<3>,2|O<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CH3)2{1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	129.4780	0.000	1	129.0900	0.301	2	129.0900	0.301	2	130.4087	8.427	8	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:3:4:4:	3:3:1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-3:C-4:C-4:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]CC)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CH3)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(H)	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]CC)(C[6]C[6]H){2|O<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CH3)2{1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	128.7020	0.000	1	129.0900	0.301	2	129.0900	0.301	2	130.4087	8.427	8	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:3:4:4:	3:3:1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6a]-3:C[5,6]-3:C-4:C-4:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CC[5]HH)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]H){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CC[5]HH)2{1|C<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	128.4190	0.000	1	128.4190	0.000	1	129.3795	1.845	2	130.4087	8.427	8	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:3:4:4:	3:3:1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6a]-3:C[5,6]-3:C-4:C-4:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]CC)(C[6]C[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CH3)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]CC)(C[6]C[6]H){1|Pd<4>,1|H<1>,1|N<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CH3)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	130.3400	0.000	1	130.3400	0.000	1	129.3795	1.845	2	130.4087	8.427	8	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:3:4:4:	3:3:1:	N[5,6]-3:C[5]-4:C[6]-3:	C[5,6a]-3:C[5,6]-3:C-4:C-4:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])(CH3)2	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]C)(H)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]H){1|C<2>,1|N<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])(CH3)2{2|H<1>,4|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]C)(H){1|C<2>,2|C<4>,3|C<3>}	128.0800	0.000	1	128.2150	0.036	2	128.2150	0.036	2	130.4087	8.427	8	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:3:4:4:	3:3:1:	N[5,6]-3:C[5]-4:C[6]-3:	C[5,6a]-3:C[5,6]-3:C-4:C-4:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])(CH3)2	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]C)(H)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]H){1|C<2>,1|N<3>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])(CH3)2{2|H<1>,4|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]C)(H){1|C<2>,2|C<4>,3|C<3>}	128.3500	0.000	1	128.2150	0.036	2	128.2150	0.036	2	130.4087	8.427	8	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:4:1:1:	3:2:1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:S[6]-2:H-1:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]S[6]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5]C)(H)2	C[6](C[5,6]C[5,6]C[5])(S[6]C[6])(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]S[6]H){3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5]C)(H)2{1|S<2>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(S[6]C[6])(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	127.4625	0.465	2	127.4625	0.216	2	127.4625	0.216	2	127.4625	0.216	2	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:4:1:1:	3:2:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:N[6]-2:N-3:	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]N[6]N)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(N[6]C[6])(NCH)	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]N[6]N){2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[6](C[5,6]C[5,6]C[5])(N[6]C[6])(NCH){2|C<4>,2|H<1>,2|N<3>}	130.7390	0.000	1	130.7390	0.000	1	130.7390	0.000	1	130.7390	0.000	1	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:4:1:1:	3:2:4:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:S[6]-2:C-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]S[6]C)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2	C[6](C[5,6]C[5,6]C[5])(S[6]C[6])(CH3)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]S[6]C){3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(S[6]C[6])(CH3){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	126.2270	0.021	2	126.2270	0.000	2	126.2270	0.000	2	126.2270	0.000	2	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[5,6,6a]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]H)	C[5](C[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]HH)(H)2	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]H){1|C<2>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]HH)(H)2{1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	132.3670	0.000	1	132.3670	0.000	1	132.3670	0.000	1	129.0395	10.798	29	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[6]C[6,6a]O)	C[5](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[6]C[6,6a]O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]2)(H)2{1|O<1>,2|C<3>,2|O<2>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O){2|C<4>,3|C<3>,3|H<1>}	125.9495	0.238	4	125.9495	0.057	4	125.9495	0.057	4	129.0395	10.798	29	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]S[6]N)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]H){1|C<4>,1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2{2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]S[6]N)(H){1|C<3>,2|C<4>,2|H<1>}	125.2395	0.037	2	125.2395	0.001	2	130.7049	8.938	16	129.0395	10.798	29	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]H){1|N<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,2|C<4>,4|H<1>}	129.4180	0.000	1	129.4180	0.000	1	130.7049	8.938	16	129.0395	10.798	29	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5]C)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]S[6]N)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]H){1|N<2>,1|S<2>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5]C)(H)2{3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]S[6]N)(H){1|C<3>,2|C<4>,2|H<1>}	127.6355	0.711	2	127.6355	0.505	2	130.7049	8.938	16	129.0395	10.798	29	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]H){1|Al<5>,1|C<3>,1|O<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2{1|C<3>,1|N<3>,1|O<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|Cl<1>,1|N<3>,2|C<4>,2|H<1>}	134.5470	0.000	1	133.4232	2.067	4	130.7049	8.938	16	129.0395	10.798	29	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]H){1|Co<5>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2{1|C<3>,1|H<1>,2|N<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	134.7040	0.000	1	133.4232	2.067	4	130.7049	8.938	16	129.0395	10.798	29	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]H){1|Ni<6>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2{1|C<3>,1|H<1>,2|N<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	132.2210	0.638	2	133.4232	2.067	4	130.7049	8.938	16	129.0395	10.798	29	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]H){2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<2>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<2>,1|C<4>,1|N<3>,3|H<1>}	129.3770	0.000	1	129.3770	0.000	1	130.7049	8.938	16	129.0395	10.798	29	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CC)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CC)(H)2{1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	131.9705	0.685	4	131.9705	0.470	4	130.7049	8.938	16	129.0395	10.798	29	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]N[5]N[6])(C[5]C[5]HH)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5]N[6])(C[5]C[5]HH)(C[6]C[6]H){1|Cu<4>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|H<1>,2|N<3>}	131.8880	0.000	1	132.5790	0.955	2	130.7049	8.938	16	129.0395	10.798	29	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]N[5]N[6])(C[5]C[5]HH)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5]N[6])(C[5]C[5]HH)(C[6]C[6]H){1|Cu<4>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,2|N<3>,3|H<1>}	133.2700	0.000	1	132.5790	0.955	2	130.7049	8.938	16	129.0395	10.798	29	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-3:O-1:	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]HH)(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(O)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]HH)(C[6]C[6]O){1|O<2>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(O){2|H<1>,4|C<4>}	126.3450	0.000	1	126.3450	0.000	1	127.9775	5.330	2	129.0395	10.798	29	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-3:O-1:	C[5,6](C[5,6]C[6,6a]O[5])(C[5]C[5]HH)(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]O)(O)	C[5,6](C[5,6]C[6,6a]O[5])(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(H)2{1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]O)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	129.6100	0.000	1	129.6100	0.000	1	127.9775	5.330	2	129.0395	10.798	29	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:N[6]-3:O-1:	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]N[6]O)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(N[6]C[6,6]H)(O)	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]N[6]O){1|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,2|N<3>}	C[6](C[5,6]C[5,6]C[5])(N[6]C[6,6]H)(O){1|N<3>,2|H<1>,4|C<4>}	128.1680	0.000	1	128.1680	0.000	1	127.3765	1.014	4	129.0395	10.798	29	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:N[6]-3:O-1:	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]N[6]O)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(N[6]C[6a]C[6])(O)	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]N[6]O){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[6](C[5,6]C[5,6]C[5])(N[6]C[6a]C[6])(O){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	126.0660	0.000	1	126.0660	0.000	1	127.3765	1.014	4	129.0395	10.798	29	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:N[6]-3:O-1:	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]HH)(C[6]N[6]O)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(N[6]C[6a]C[6])(O)	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]HH)(C[6]N[6]O){1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(H)2{1|C<4>,1|N<3>,1|O<1>}	C[6](C[5,6]C[5,6]C[5])(N[6]C[6a]C[6])(O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	128.1670	0.000	1	127.6360	0.564	2	127.3765	1.014	4	129.0395	10.798	29	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:N[6]-3:O-1:	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]HH)(C[6]N[6]O)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(N[6]C[6a]C[6])(O)	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]HH)(C[6]N[6]O){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[5,6]C[5,6]C[5])(N[6]C[6a]C[6])(O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	127.1050	0.000	1	127.6360	0.564	2	127.3765	1.014	4	129.0395	10.798	29	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	N[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]B[5,5]C[6])(C[5]C[5]HH)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(C[5]B[5,5]B[5]2)(H)2	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]B[5,5]C[6])(C[5]C[5]HH)(C[6]C[6]H){1|C<3>,2|B<3>,2|H<1>,2|O<2>}	C[5](C[5,6]N[5,6]C[6])(C[5]B[5,5]B[5]2)(H)2{1|H<1>,2|C<3>,6|O<2>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|C<4>,3|H<1>}	127.2410	0.000	1	127.2410	0.000	1	127.2410	0.000	1	129.0395	10.798	29	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	N[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:P[5]-4:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]B[5]C[6])(C[5]P[5]HH)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(P[5]B[5]CC)(H)2	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]B[5]C[6])(C[5]P[5]HH)(C[6]C[6]H){1|Cl<1>,1|H<1>,2|C<3>,3|C<4>}	C[5](C[5,6]N[5,6]C[6])(P[5]B[5]CC)(H)2{1|Cl<1>,1|H<1>,3|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|P<4>,3|H<1>}	122.0000	0.000	1	122.0000	0.000	1	122.0000	0.000	1	129.0395	10.798	29	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:4:1:1:	3:3:4:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-3:C-4:	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]C)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(CH3)	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]C){1|Co<4>,1|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(CH3){1|N<2>,1|N<3>,2|C<4>,2|H<1>}	129.5865	0.095	2	129.4633	0.050	3	129.4633	0.050	3	129.4633	0.050	3	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:4:1:1:	3:3:4:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-3:C-4:	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]C)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(CH3)	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]C){1|Ir<8>,1|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(CH3){1|N<2>,1|N<3>,2|C<4>,2|H<1>}	129.2170	0.000	1	129.4633	0.050	3	129.4633	0.050	3	129.4633	0.050	3	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:4:1:1:	3:4:1:	C[5,6,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]C[6]H)	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]C[6]H){4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	132.0340	0.000	1	132.0340	0.000	1	132.0340	0.000	1	127.8743	9.229	6	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:4:1:1:	3:4:1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-4:O-1:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(O)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]O){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)(H)2{2|C<4>,2|O<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(O){1|C<3>,2|H<1>,4|C<4>}	123.8840	0.000	1	123.8840	0.000	1	127.0424	6.345	5	127.8743	9.229	6	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:4:1:1:	3:4:1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-4:O-1:	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2H)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(O)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2H)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(O){3|H<1>,4|C<4>}	124.7420	0.000	1	124.7420	0.000	1	127.0424	6.345	5	127.8743	9.229	6	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:4:1:1:	3:4:1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-4:O-1:	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]O){2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(H)2{1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|O<2>,2|C<4>,4|H<1>}	128.8550	0.426	2	128.8550	0.181	2	127.0424	6.345	5	127.8743	9.229	6	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:4:1:1:	3:4:1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-4:O-1:	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(H)2{1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|O<2>,2|C<4>,4|H<1>}	128.8760	0.000	1	128.8760	0.000	1	127.0424	6.345	5	127.8743	9.229	6	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:4:1:1:	3:4:3:	N[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C-3:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]C)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]CH)(CCO)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]C){2|C<4>,7|H<1>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]CH)(CCO){3|C<4>,4|H<1>}	128.3600	0.000	1	128.3600	0.000	1	128.3600	0.000	1	128.3600	0.000	1	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:4:2:1:	3:4:1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[3]-4:O[5]-2:H-1:	C[5,6]-3:C[6]-4:O-1:	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[3]O[5]H)(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6])(C[3]C[3]2C)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(O)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[3]O[5]H)(C[6]C[6]O){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[3]C[3]2C)(O[5]C[5])(H){2|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	126.9505	0.769	4	126.9505	0.591	4	126.9505	0.591	4	126.9505	0.591	4	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:4:3:1:	3:2:1:	C[5,6,6a]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:C-3:H-1:	C[5,6]-3:C[6]-2:H-1:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]CH)(C[6]C[6]H)	C[5](C[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]CH)(COO)(H)	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6])(H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]CH)(C[6]C[6]H){1|H<1>,4|C<3>}	C[5](C[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]CH)(COO)(H){1|C<2>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6])(H){1|C<4>,2|H<1>,3|C<3>}	131.7560	0.000	1	131.7560	0.000	1	131.7560	0.000	1	131.7560	0.000	1	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:4:3:1:	3:3:1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:N-3:H-1:	C[5,6]-3:C[6]-3:O-1:	C[5,6](C[5,6]C[6,6a]O[5])(C[5]C[5]HN)(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CC)(NC[6a]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]O)(O)	C[5,6](C[5,6]C[6,6a]O[5])(C[5]C[5]HN)(C[6]C[6]O){1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CC)(NC[6a]H)(H){1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]O)(O){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	129.5610	0.000	1	129.5610	0.000	1	129.5610	0.000	1	125.9392	5.465	5	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:4:3:1:	3:3:1:	N[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:N[5]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]Ga[5]C[6])(C[5]C[5]N[5]H)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5,6]N[5]H)(N[5]C[6a]Ga[5])(H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]Ga[5]C[6])(C[5]C[5]N[5]H)(C[6]C[6]H){1|N<3>,2|I<1>,3|C<3>,3|H<1>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[5,6]N[5]H)(N[5]C[6a]Ga[5])(H){1|Ga<4>,1|H<1>,1|N<3>,2|I<1>,6|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Ga<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	123.2220	0.000	1	123.2220	0.000	1	125.0337	1.820	4	125.9392	5.465	5	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:4:3:1:	3:3:1:	N[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:N[5]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]Ga[5]C[6])(C[5]C[5]N[5]H)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5,6]N[5]H)(N[5]Ga[5]C)(H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]Ga[5]C[6])(C[5]C[5]N[5]H)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|I<1>,3|H<1>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[5,6]N[5]H)(N[5]Ga[5]C)(H){1|Ga<4>,1|C<4>,1|H<1>,1|N<3>,2|I<1>,3|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Ga<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	124.7920	0.000	1	124.7920	0.000	1	125.0337	1.820	4	125.9392	5.465	5	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:4:3:1:	3:3:1:	N[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:N[5]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]Si[5]C[6])(C[5]C[5]N[5]H)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5,6]N[5]H)(N[5]C[6a]Si[5])(H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]Si[5]C[6])(C[5]C[5]N[5]H)(C[6]C[6]H){3|Cl<1>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[5,6]N[5]H)(N[5]C[6a]Si[5])(H){1|Si<5>,3|Cl<1>,1|H<1>,1|N<3>,6|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	126.0605	0.110	2	126.0605	0.012	2	125.0337	1.820	4	125.9392	5.465	5	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:4:3:1:	3:4:1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:P[5]-4:C[6]-3:H-1:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5]H)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(P[5]C[5]C[6]Pd)(C[6]C[6]N[6])(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5]H)(C[6]C[6]H){1|Pd<4>,1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(P[5]C[5]C[6]Pd)(C[6]C[6]N[6])(H){3|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|C<4>,1|P<4>,2|C<3>,3|H<1>}	124.5050	0.000	1	124.5050	0.000	1	124.3990	0.022	2	124.3990	0.022	2	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:4:3:1:	3:4:1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:P[5]-4:C[6]-3:H-1:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5]H)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]Pd)(C[6]C[6]N[6])(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5]H)(C[6]C[6]H){1|Pd<4>,1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]Pd)(C[6]C[6]N[6])(H){2|C<4>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|C<4>,1|P<4>,2|C<3>,3|H<1>}	124.2930	0.000	1	124.2930	0.000	1	124.3990	0.022	2	124.3990	0.022	2	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:4:3:2:	3:4:1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:C-3:O-2:	C[5,6]-3:C[6]-4:O-1:	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]CO)(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(COO)(OH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]CO)(C[6]C[6]O){2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(COO)(OH){1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	127.9280	0.000	1	127.9280	0.000	1	127.9280	0.000	1	127.9280	0.000	1	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:4:4:1:	3:3:1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:C-4:H-1:	C[5,6]-3:C[6]-3:O-1:	C[5,6](C[5,6]C[6,6a]O[5])(C[5]C[5]CH)(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(CH3)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]O)(O)	C[5,6](C[5,6]C[6,6a]O[5])(C[5]C[5]CH)(C[6]C[6]O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(CH3)(H){1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]O)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	131.2660	0.089	2	131.2660	0.008	2	131.2660	0.008	2	128.9345	22.368	4	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:4:4:1:	3:3:1:	N[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:C-4:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]C[5]H)(CH3)(H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]C[5]H)(CH3)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,2|H<1>,3|C<4>}	131.3650	0.000	1	131.3650	0.000	1	131.3650	0.000	1	128.9345	22.368	4	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:4:4:1:	3:3:1:	N[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:P[5]-4:Ga-4:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]B[5]C[6])(C[5]P[5]GaH)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(P[5]B[5]CC)(GaCl3)(H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]B[5]C[6])(C[5]P[5]GaH)(C[6]C[6]H){1|Cl<1>,1|H<1>,2|C<3>,3|C<4>}	C[5](C[5,6]N[5,6]C[6])(P[5]B[5]CC)(GaCl3)(H){1|Cl<1>,1|H<1>,3|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Ga<4>,1|B<4>,1|C<3>,1|P<4>,2|H<1>}	121.8410	0.000	1	121.8410	0.000	1	121.8410	0.000	1	128.9345	22.368	4	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:4:4:1:	3:4:1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:C-4:H-1:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]CH)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(CH3)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]CH)(C[6]C[6]H){2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	129.2850	0.000	1	129.2850	0.000	1	129.2850	0.000	1	129.6115	0.213	2	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:4:4:1:	3:4:1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:C-4:H-1:	C[5,6]-3:C[6]-4:O-1:	C[5,6](C[5,6]C[6,6a]O[5])(C[5]C[5]CH)(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(CH3)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]CO)(O)	C[5,6](C[5,6]C[6,6a]O[5])(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]CO)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	129.9380	0.000	1	129.9380	0.000	1	129.9380	0.000	1	129.6115	0.213	2	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:4:4:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:C-4:H-1:	C[5,6]-3:C[6]-4:N-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]N)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(NCH)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]N){1|C<3>,7|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(NCH){1|C<3>,2|H<1>,3|C<4>}	128.1740	0.000	1	128.1740	0.000	1	128.1740	0.000	1	128.1740	0.000	1	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:4:4:3:	3:3:4:	N[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:C-4:C-3:	C[5,6]-3:C[6]-3:C-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CC)(C[6]C[6]C)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]CH)(CCHH)(COO)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6a]C[6])(CCHH)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CC)(C[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]CH)(CCHH)(COO){1|C<3>,1|O<1>,2|C<4>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6a]C[6])(CCHH){1|H<1>,3|C<4>,4|C<3>}	130.9090	0.000	1	130.9090	0.000	1	130.9090	0.000	1	130.9090	0.000	1	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:4:4:4:	3:3:1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CC)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)2	C[6](C[5,6]C[5,6]C[5])(C[6]N[6]O)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CC)(C[6]C[6]H){1|N<3>,1|O<1>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]N[6]O)(H){1|C<3>,5|C<4>}	128.8590	0.000	1	128.8590	0.000	1	128.8590	0.000	1	128.7253	0.040	3	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	3:4:4:4:	3:3:1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5,6]-3:C[6]-3:O-1:	C[5,6](C[5,6]C[6,6a]O[5])(C[5]C[5]CC)(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(CH3)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]O)(O)	C[5,6](C[5,6]C[6,6a]O[5])(C[5]C[5]CC)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(CH3)2{1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]O)(O){1|O<2>,2|C<3>,3|C<4>}	128.6585	0.230	2	128.6585	0.053	2	128.6585	0.053	2	128.7253	0.040	3	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	4:3:1:1:	3:3:1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-3:Br-1:	C[5,6](C[5,6]C[6,6a]C[5,6])(C[5]C[5,6]HH)(C[6]C[6]Br)	C[5](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]O)(Br)	C[5,6](C[5,6]C[6,6a]C[5,6])(C[5]C[5,6]HH)(C[6]C[6]Br){1|C<4>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,6]C[6])(H)2{1|Br<1>,1|O<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]O)(Br){1|C<4>,2|H<1>,3|C<3>}	127.5760	0.000	1	127.5760	0.000	1	127.5760	0.000	1	124.0441	13.666	11	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	4:3:1:1:	3:3:1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]C[5,5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]C[6])(H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	128.4140	0.000	1	128.4140	0.000	1	128.4140	0.000	1	124.0441	13.666	11	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	4:3:1:1:	3:3:1:	N[5,5,6]-3:C[5]-4:C[6]-3:	N[5,5]-4:C[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,5,6]Ga[5x5]C[5,6])(C[5]N[5,5]HH)(C[6]C[6]H)	C[5](N[5,5]Ga[5x5]C[5]H)(C[5,6]N[5,5,6]C[6])(H)2	C[6](C[5,6]N[5,5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,5,6]Ga[5x5]C[5,6])(C[5]N[5,5]HH)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>,2|N<3>,2|O<2>}	C[5](N[5,5]Ga[5x5]C[5]H)(C[5,6]N[5,5,6]C[6])(H)2{1|C<4>,2|C<3>,2|N<3>,2|O<2>,3|H<1>}	C[6](C[5,6]N[5,5,6]C[5])(C[6]C[6]H)(H){1|Ga<6>,1|C<3>,1|N<4>,3|H<1>}	126.6590	0.000	1	126.6590	0.000	1	126.6590	0.000	1	124.0441	13.666	11	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	4:3:1:1:	3:3:1:	N[5,6,6]-3:C[5]-4:C[6]-3:	C[5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6,6]C[5,6,6]C[6,6])(C[5]C[5,6]HH)(C[6]C[6]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]N[5,6,6]C[6])(H)2	C[6](C[5,6]N[5,6,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6,6]C[5,6,6]C[6,6])(C[5]C[5,6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]N[5,6,6]C[6])(H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[5,6]N[5,6,6]C[5])(C[6]C[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	131.0260	0.000	1	131.0260	0.000	1	131.0260	0.000	1	124.0441	13.666	11	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	4:3:1:1:	3:3:1:	N[5,6]-3:C[5]-4:C[6]-3:	N[3x5]-4:C[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]Ga[3x5,6,6]C[6])(C[5]N[3x5]HH)(C[6]C[6]H)	C[5](N[3x5]Ga[3x5,6,6]C[5]2)(C[5,6]N[5,6]C[6])(H)2	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]Ga[3x5,6,6]C[6])(C[5]N[3x5]HH)(C[6]C[6]H){1|C<3>,2|C<4>,2|H<1>,2|N<4>,2|O<2>}	C[5](N[3x5]Ga[3x5,6,6]C[5]2)(C[5,6]N[5,6]C[6])(H)2{2|C<3>,2|C<4>,2|N<4>,2|O<2>,5|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Ga<6>,1|C<3>,1|N<4>,3|H<1>}	121.3510	0.262	2	121.3510	0.068	2	121.2530	0.875	4	124.0441	13.666	11	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	4:3:1:1:	3:3:1:	N[5,6]-3:C[5]-4:C[6]-3:	N[3x5]-4:C[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]Ga[5x5]C[6])(C[5]N[3x5]HH)(C[6]C[6]H)	C[5](N[3x5]Ga[5x5]C[5,6]C[5])(C[5,6]N[5,6]C[6])(H)2	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]Ga[5x5]C[6])(C[5]N[3x5]HH)(C[6]C[6]H){1|C<3>,1|N<3>,1|N<4>,2|C<4>,2|H<1>,2|O<2>}	C[5](N[3x5]Ga[5x5]C[5,6]C[5])(C[5,6]N[5,6]C[6])(H)2{1|N<3>,1|N<4>,2|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Ga<6>,1|C<3>,1|N<4>,3|H<1>}	122.2770	0.000	1	122.2770	0.000	1	121.2530	0.875	4	124.0441	13.666	11	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	4:3:1:1:	3:3:1:	N[5,6]-3:C[5]-4:C[6]-3:	N[3x5]-4:C[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]In[3x5]C[6])(C[5]N[3x5]HH)(C[6]C[6]H)	C[5](N[3x5]In[3x5]C[5]2)(C[5,6]N[5,6]C[6])(H)2	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]In[3x5]C[6])(C[5]N[3x5]HH)(C[6]C[6]H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>,3|N<3>}	C[5](N[3x5]In[3x5]C[5]2)(C[5,6]N[5,6]C[6])(H)2{1|Cl<1>,2|C<3>,2|C<4>,3|N<3>,5|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|N<4>,3|H<1>}	120.0330	0.000	1	120.0330	0.000	1	121.2530	0.875	4	124.0441	13.666	11	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	4:3:1:1:	3:3:1:	N[5,6]-3:C[5]-4:C[6]-3:	N[5,5]-4:C[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]Ga[3x5]C[6])(C[5]N[5,5]HH)(C[6]C[6]H)	C[5](N[5,5]Ga[3x5]C[5]H)(C[5,6]N[5,6]C[6])(H)2	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]Ga[3x5]C[6])(C[5]N[5,5]HH)(C[6]C[6]H){2|Cl<1>,1|C<3>,1|C<4>,1|N<3>,1|N<4>,3|H<1>}	C[5](N[5,5]Ga[3x5]C[5]H)(C[5,6]N[5,6]C[6])(H)2{2|Cl<1>,1|C<4>,1|N<3>,1|N<4>,2|C<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Ga<6>,1|C<3>,1|N<4>,3|H<1>}	122.5560	0.136	2	122.5560	0.018	2	121.9327	1.175	3	124.0441	13.666	11	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	4:3:1:1:	3:3:1:	N[5,6]-3:C[5]-4:C[6]-3:	N[5,5]-4:C[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]HH)(C[6]C[6]H)	C[5](N[5,5]In[5,5]C[5]H)(C[5,6]N[5,6]C[6])(H)2	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]HH)(C[6]C[6]H){3|Br<1>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5](N[5,5]In[5,5]C[5]H)(C[5,6]N[5,6]C[6])(H)2{3|Br<1>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|N<4>,3|H<1>}	120.6860	0.000	1	120.6860	0.000	1	121.9327	1.175	3	124.0441	13.666	11	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	4:3:2:1:	3:3:1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-4:C[5,6]-3:O-2:H-1:	C[5,6]-3:C[6]-3:O-1:	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HO)(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(OC)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(O)	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HO)(C[6]C[6]O){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(OC)(H){1|O<1>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	125.5790	0.000	1	125.5790	0.000	1	125.9560	0.284	2	125.9560	0.284	2	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	4:3:2:1:	3:3:1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-4:C[5,6]-3:O-2:H-1:	C[5,6]-3:C[6]-3:O-1:	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HO)(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(OH)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(O)	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HO)(C[6]C[6]O){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(OH)(H){1|O<1>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	126.3330	0.000	1	126.3330	0.000	1	125.9560	0.284	2	125.9560	0.284	2	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	4:3:3:1:	3:4:1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,5]-4:C[5,6]-3:C-3:H-1:	C[5,6]-3:C[6]-4:O-1:	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,5]CH)(C[6]C[6]O)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5,6]C[6])(CC[6a]O)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,5]CH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5,6]C[6])(CC[6a]O)(H){1|N<3>,2|C<3>,2|C<4>,2|O<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	128.1800	0.000	1	128.1800	0.000	1	127.8475	0.221	2	127.8475	0.221	2	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	4:3:3:1:	3:4:1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,5]-4:C[5,6]-3:C-3:H-1:	C[5,6]-3:C[6]-4:O-1:	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,5]CH)(C[6]C[6]O)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5,6]C[6])(COO)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,5]CH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5,6]C[6])(COO)(H){1|N<3>,2|C<3>,2|C<4>,2|O<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	127.5150	0.000	1	127.5150	0.000	1	127.8475	0.221	2	127.8475	0.221	2	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	4:3:4:1:	3:3:1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,5]-4:C[5,6]-3:C-4:H-1:	C[5,6]-3:C[6]-3:O-1:	C[5,6](C[5,6]N[5,5]C[6])(C[5]C[5,5]CH)(C[6]C[6]O)	C[5](C[5,5]C[3,5]N[5,5]O)(C[5,6]C[5,6]C[6])(CHHO)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]N)(O)	C[5,6](C[5,6]N[5,5]C[6])(C[5]C[5,5]CH)(C[6]C[6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5,5]C[3,5]N[5,5]O)(C[5,6]C[5,6]C[6])(CHHO)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	128.8970	0.000	1	128.8970	0.000	1	128.8970	0.000	1	128.8970	0.000	1	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	5:3:1:1:	3:3:1:	N[5,6]-3:C[5]-4:C[6]-3:	C[3x3,4x5,12x6]-5:C[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-3: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)	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[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	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>}	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[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|B<6>,1|C<3>,1|C<5>,3|H<1>}	127.0170	0.000	1	127.0170	0.000	1	127.0170	0.000	1	127.0170	0.000	1	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	3:4:3:	6:3:1:1:	3:3:1:	N[5,6]-3:C[5]-4:C[6]-3:	C[5x3,6x5,20x6]-6:C[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]B[5x3,6x5,20x6]C[6])(C[5]C[5x3,6x5,20x6]HH)(C[6]C[6]H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4B[5x3,6x5,20x6])(C[5,6]N[5,6]C[6])(H)2	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]B[5x3,6x5,20x6]C[6])(C[5]C[5x3,6x5,20x6]HH)(C[6]C[6]H){1|C<3>,2|H<1>,6|B<6>}	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4B[5x3,6x5,20x6])(C[5,6]N[5,6]C[6])(H)2{2|C<3>,5|B<6>,5|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|B<6>,1|C<3>,1|C<6>,3|H<1>}	127.3200	0.000	1	127.3200	0.000	1	127.3200	0.000	1	127.3200	0.000	1	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:3:3:	3:3:2:1:	3:2:1:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6a]-3:O[5]-2:H-1:	C[5,6]-3:O[6]-2:O-1:	C[5,6](C[5]C[6a]O[5]H)(C[5,6]C[5]C[6])(C[6]O[6]O)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]C[5])(O[6]C[6])(O)	C[5,6](C[5]C[6a]O[5]H)(C[5,6]C[5]C[6])(C[6]O[6]O){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(O[6]C[6])(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	126.3090	0.000	1	126.3090	0.000	1	126.3090	0.000	1	126.3090	0.000	1	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6a]-3:N[5]-3:H-1:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[5]C[6])(C[6]C[6,6a]O)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O)	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[5]C[6])(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	125.6750	0.000	1	125.6750	0.000	1	125.6750	0.000	1	125.6750	0.000	1	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6a]-3:C[5]-3:H-1:	C[5,6]-3:C[6]-4:O-1:	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]N)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]N)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	130.4750	0.000	1	130.4750	0.000	1	130.4750	0.000	1	126.9320	3.062	6	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[5]-4:C[5,6]-3:C[6]-3:	N[5,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[5,6]-3:C[6]-4:O-1:	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)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(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){1|C<4>,4|C<3>,4|H<1>}	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>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	126.3290	0.000	1	126.2234	0.061	5	126.2234	0.061	5	126.9320	3.062	6	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[5]-4:C[5,6]-3:C[6]-3:	N[5,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[5,6]-3:C[6]-4:O-1:	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)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(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){1|C<4>,4|C<3>,4|H<1>}	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>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	126.2240	0.000	1	126.2234	0.061	5	126.2234	0.061	5	126.9320	3.062	6	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[5]-4:C[5,6]-3:C[6]-3:	N[5,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[5,6]-3:C[6]-4:O-1:	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)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(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){1|C<4>,4|C<3>,4|H<1>}	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>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,2|N<3>,3|C<4>}	126.1880	0.340	3	126.2234	0.061	5	126.2234	0.061	5	126.9320	3.062	6	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:N[5,6]-3:C[6]-3:	C[5,6]-3:C[6a]-3:C[5]-3:O-2:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5]C[6a]C[5]O)(N[5,6]C[5]C[6])(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(C[6a]C[6a]N[6a])(C[5]C[5]H)(OH)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5]C[6a]C[5]O)(N[5,6]C[5]C[6])(C[6]C[6]H){1|Os<6>,1|N<2>,2|C<3>,3|H<1>}	C[5](C[5,6]N[5,6]C[6])(C[6a]C[6a]N[6a])(C[5]C[5]H)(OH){1|Os<6>,2|H<1>,4|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	129.9620	0.339	2	129.9620	0.115	2	130.5780	1.196	3	130.5780	1.196	3	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:N[5,6]-3:C[6]-3:	C[5,6]-3:C[6a]-3:C[5]-3:O-2:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5]C[6a]C[5]O)(N[5,6]C[5]C[6])(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(C[6a]C[6a]N[6a])(C[5]C[5]Ru)(OH)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5]C[6a]C[5]O)(N[5,6]C[5]C[6])(C[6]C[6]H){1|Ru<6>,1|N<2>,2|C<3>,3|H<1>}	C[5](C[5,6]N[5,6]C[6])(C[6a]C[6a]N[6a])(C[5]C[5]Ru)(OH){3|H<1>,4|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	131.8100	0.000	1	131.8100	0.000	1	130.5780	1.196	3	130.5780	1.196	3	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,5]-3:C[5,6]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:H-1:	C[5,6](C[5]C[5,5]C[6a]2)(C[5,6]C[5,5]C[6])(C[6]C[6,6a]H)	C[5](C[5,5]C[5,5]C[5])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)	C[5,6](C[5]C[5,5]C[6a]2)(C[5,6]C[5,5]C[6])(C[6]C[6,6a]H){1|O<1>,8|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)2{5|H<1>,9|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H){1|H<1>,7|C<3>}	128.7090	0.000	1	128.7090	0.000	1	128.7090	0.000	1	128.7090	0.000	1	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:3:3:	3:3:3:3:	3:3:4:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5,6]-3:C[6]-3:C-4:	C[5,6](C[5]C[6a]2C[5])(C[5,6]C[5]C[6])(C[6]C[6]C)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)2(C[5]C[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(CH3)	C[5,6](C[5]C[6a]2C[5])(C[5,6]C[5]C[6])(C[6]C[6]C){1|H<1>,2|O<1>,6|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)2(C[5]C[5]O){1|C<4>,4|H<1>,7|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(CH3){1|C<4>,5|C<3>}	130.0430	0.000	1	130.0430	0.000	1	130.0430	0.000	1	130.0430	0.000	1	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:3:3:	3:3:3:4:	3:4:1:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6a]-3:C[5]-3:C-4:	C[5,6]-3:C[6]-4:O-1:	C[5,6](C[5]C[6a]C[5]C)(C[5,6]C[6]O[5])(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]N)(CF3)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	C[5,6](C[5]C[6a]C[5]C)(C[5,6]C[6]O[5])(C[6]C[6]O){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]N)(CF3){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	130.8060	0.000	1	130.8060	0.000	1	130.8060	0.000	1	130.8060	0.000	1	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:3:3:	3:3:4:1:	3:4:1:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5,6]-3:C[6]-4:O-1:	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]N[5])(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]CC)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]N[5])(C[6]C[6]O){1|C<2>,1|C<4>,3|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]CC)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	127.0930	0.338	2	127.0930	0.114	2	128.2408	0.759	10	128.3395	0.791	11	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:3:3:	3:3:4:1:	3:4:1:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5,6]-3:C[6]-4:O-1:	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]CC)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]CC)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	128.0840	0.000	1	128.0840	0.000	1	128.2408	0.759	10	128.3395	0.791	11	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:3:3:	3:3:4:1:	3:4:1:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5,6]-3:C[6]-4:O-1:	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]CH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	129.4680	0.000	1	128.2940	1.259	3	128.2408	0.759	10	128.3395	0.791	11	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:3:3:	3:3:4:1:	3:4:1:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5,6]-3:C[6]-4:O-1:	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]CH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	127.7070	0.672	2	128.2940	1.259	3	128.2408	0.759	10	128.3395	0.791	11	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:3:3:	3:3:4:1:	3:4:1:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5,6]-3:C[6]-4:O-1:	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HN)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HN)(H){1|Br<1>,1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	128.5960	0.000	1	128.8140	0.073	4	128.2408	0.759	10	128.3395	0.791	11	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:3:3:	3:3:4:1:	3:4:1:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5,6]-3:C[6]-4:O-1:	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HN)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HN)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	129.0335	0.161	2	128.8140	0.073	4	128.2408	0.759	10	128.3395	0.791	11	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:3:3:	3:3:4:1:	3:4:1:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5,6]-3:C[6]-4:O-1:	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HN)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HN)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	128.5930	0.000	1	128.8140	0.073	4	128.2408	0.759	10	128.3395	0.791	11	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:3:3:	3:3:4:1:	3:4:1:	C[5]-4:C[5,6]-3:C[6]-3:	C[6a]-3:C[5,6]-3:C[5]-4:H-1:	C[5,6]-3:C[6]-4:O-1:	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O)	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5]O[5]CH)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5]O[5]CH)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	129.3270	0.000	1	129.3270	0.000	1	129.3270	0.000	1	128.3395	0.791	11	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:3:3:	3:3:4:2:	3:4:1:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6a]-3:C[5]-4:O-2:	C[5,6]-3:C[6]-4:O-1:	C[5,6](C[5]C[6a]C[5]O)(C[5,6]C[6]O[5])(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(OH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	C[5,6](C[5]C[6a]C[5]O)(C[5,6]C[6]O[5])(C[6]C[6]O){1|C<4>,2|C<3>,6|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(OH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,2|O<2>,4|C<4>}	129.3890	0.000	1	129.3890	0.000	1	129.3890	0.000	1	129.3890	0.000	1	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:3:3:	3:4:3:1:	3:4:1:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-3:C[6]-4:O-1:	C[5,6](C[5]C[5,6]C[6a]H)(C[5,6]C[6]O[5])(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6])(C[5,6]C[6]2O[5])(C[6a]C[6a]2)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	C[5,6](C[5]C[5,6]C[6a]H)(C[5,6]C[6]O[5])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5,6]C[6]2O[5])(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,3|O<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	128.9090	0.000	1	128.9090	0.000	1	128.9090	0.000	1	129.1590	0.047	3	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:3:3:	3:4:3:1:	3:4:1:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[5]-4:C[6a]-3:H-1:	C[5,6]-3:C[6]-4:O-1:	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	129.2840	0.000	2	129.2840	0.000	2	129.2840	0.000	2	129.1590	0.047	3	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:N[5,6]-3:C[6]-3:	C[5,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5]C[5,6]C[6a]H)(N[5,6]C[5,6]C[6])(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5]C[5,6]C[6a]H)(N[5,6]C[5,6]C[6])(C[6]C[6]H){2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6])(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,6|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|H<1>}	130.4710	0.000	1	130.4710	0.000	1	130.4710	0.000	1	130.4710	0.000	1	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:3:3:	4:3:3:1:	3:4:1:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,5]-4:C[5,6]-3:C[6a]-3:H-1:	C[5,6]-3:C[6]-4:O-1:	C[5,6](C[5]C[5,5]C[6a]H)(C[5,6]C[6]O[5])(C[6]C[6]O)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	C[5,6](C[5]C[5,5]C[6a]H)(C[5,6]C[6]O[5])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	128.8020	0.694	2	128.8020	0.482	2	128.8020	0.482	2	128.8020	0.482	2	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:3:4:	3:3:1:1:	3:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-3:N[5]-3:H-1:H-1:	C[6,6a]-3:C[5,6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]H)(C[5]N[5]HH)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]H)(C[5]N[5]HH){1|S<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	128.8840	0.000	1	128.8840	0.000	1	128.8840	0.000	1	128.8840	0.000	1	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:3:4:	3:3:1:1:	3:3:3:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5,6]-3:C[6a]-3:C[6]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]N[5]HH)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]N[5]HH){1|S<4>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	128.4820	0.000	1	128.4555	0.001	2	128.4555	0.001	2	129.1377	1.397	3	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:3:4:	3:3:1:1:	3:3:3:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5,6]-3:C[6a]-3:C[6]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]N[5]HH)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]N[5]HH){1|S<4>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	128.4290	0.000	1	128.4555	0.001	2	128.4555	0.001	2	129.1377	1.397	3	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:3:4:	3:3:1:1:	3:3:3:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-3:N[5]-3:H-1:H-1:	C[6,6a]-3:C[5,6]-3:C-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]C)(C[5]N[5]HH)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(CCO)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]C)(C[5]N[5]HH){1|S<4>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(CCO){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	130.5020	0.000	1	130.5020	0.000	1	130.5020	0.000	1	129.1377	1.397	3	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:3:4:	3:3:4:1:	3:4:4:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-3:C-4:H-1:	C[5,6]-3:C[5,6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]C)(C[5]C[5]CH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(CH3)(H)	C[6](C[5,6]C[5,6]C[5])(C[5,6]C[5,6]2H)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]C)(C[5]C[5]CH){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(CH3)(H){1|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[5,6]C[5,6]2H)(CH3){2|C<3>,3|H<1>,6|C<4>}	128.5470	0.760	4	128.5470	0.577	4	128.5470	0.577	4	128.5470	0.577	4	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:3:4:	3:4:1:1:	3:3:1:	C[5,6,6]-4:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-3:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]H)(C[5]C[5]HH)	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]CC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6,6]C[5])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]H)(C[5]C[5]HH){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]CC)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6,6]C[5])(H){2|C<3>,3|C<4>,4|H<1>}	129.7595	0.241	2	129.7595	0.058	2	129.7595	0.058	2	128.9956	1.272	7	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:3:4:	3:4:1:1:	3:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]H)(C[5]C[5]HH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]H)(C[5]C[5]HH){2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H){2|C<3>,3|C<4>,4|H<1>}	128.7910	0.000	1	128.1623	1.925	3	128.6900	1.484	5	128.9956	1.272	7	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:3:4:	3:4:1:1:	3:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]H)(C[5]C[5]HH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]H)(C[5]C[5]HH){2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H){3|C<3>,3|C<4>,3|H<1>}	129.1240	0.000	1	128.1623	1.925	3	128.6900	1.484	5	128.9956	1.272	7	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:3:4:	3:4:1:1:	3:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]H)(C[5]C[5]HH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]H)(C[5]C[5]HH){4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H){2|C<3>,3|C<4>,4|H<1>}	126.5720	0.000	1	128.1623	1.925	3	128.6900	1.484	5	128.9956	1.272	7	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:3:4:	3:4:1:1:	3:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]H)(C[5]C[5]HH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]H)(C[5]C[5]HH){2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(H){3|C<3>,3|C<4>,3|H<1>}	129.4750	0.000	1	129.4750	0.000	1	128.6900	1.484	5	128.9956	1.272	7	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:3:4:	3:4:1:1:	3:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-3:H-1:	C[5,6](C[5,6]C[5]N[6]C)(C[6]C[6,6a]H)(C[5]C[5]HH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)	C[5,6](C[5,6]C[5]N[6]C)(C[6]C[6,6a]H)(C[5]C[5]HH){2|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	129.4880	0.000	1	129.4880	0.000	1	128.6900	1.484	5	128.9956	1.272	7	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:3:4:	3:4:1:1:	3:3:3:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6a]-3:B[6]-3:	C[5,6](C[5,6]B[6]C[5]C)(C[6]C[6a]B[6])(C[5]C[5]HH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(B[6]C[6]Cl)	C[5,6](C[5,6]B[6]C[5]C)(C[6]C[6a]B[6])(C[5]C[5]HH){2|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{2|B<3>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(B[6]C[6]Cl){1|B<3>,2|C<4>,4|H<1>,5|C<3>}	129.6180	0.000	1	129.6180	0.000	1	129.6180	0.000	1	129.0610	0.620	2	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:3:4:	3:4:1:1:	3:3:3:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6a]-3:C[6]-3:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6a]C[6])(C[5]C[5]HH)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]O)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6a]C[6])(C[5]C[5]HH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	128.5040	0.000	1	128.5040	0.000	1	128.5040	0.000	1	129.0610	0.620	2	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:3:4:	3:4:1:1:	3:3:4:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-3:Si-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]Si)(C[5]C[5]HH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(SiC3)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]Si)(C[5]C[5]HH){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|Si<4>,1|C<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(SiC3){1|C<2>,2|C<4>,3|C<3>,3|H<1>}	131.1130	0.024	2	131.1130	0.001	2	131.1130	0.001	2	131.1130	0.001	2	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:3:4:	3:4:1:1:	3:4:1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]O[6]C)(C[6]C[5,6]H)(C[5]C[5]HH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[5,6]C[5]2C[6])(H)	C[5,6](C[5,6]C[5]O[6]C)(C[6]C[5,6]H)(C[5]C[5]HH){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[5,6]C[5]2C[6])(H){1|Si<4>,1|C<3>,1|O<1>,2|O<2>,3|C<4>,4|H<1>}	130.7270	0.000	1	130.7270	0.000	1	130.7270	0.000	1	130.7270	0.000	1	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:3:4:	3:4:1:1:	4:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,6]C[5]2O[6])(C[6]C[5,6]H)(C[5]C[5]HH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](C[5,6]C[5,5]C[5]C[6])(C[5,6]C[5,6]C[5])(H)	C[5,6](C[5,6]C[5]2O[6])(C[6]C[5,6]H)(C[5]C[5]HH){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[5,6]C[5,6]C[5])(H){1|O<1>,2|O<2>,4|H<1>,6|C<4>}	134.0860	0.000	1	134.4165	0.218	2	132.6060	5.819	4	132.6060	5.819	4	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:3:4:	3:4:1:1:	4:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,6]C[5]2O[6])(C[6]C[5,6]H)(C[5]C[5]HH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](C[5,6]C[5,5]C[5]C[6])(C[5,6]C[5,6]C[5])(H)	C[5,6](C[5,6]C[5]2O[6])(C[6]C[5,6]H)(C[5]C[5]HH){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[5,6]C[5,6]C[5])(H){1|C<3>,1|O<1>,2|O<2>,4|H<1>,5|C<4>}	134.7470	0.000	1	134.4165	0.218	2	132.6060	5.819	4	132.6060	5.819	4	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:3:4:	3:4:1:1:	4:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[5,6]H)(C[5]C[5]HH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](C[5,6]N[5,6]C[6a]O[5])(C[5,6]C[5,6]C[5])(H)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[5,6]H)(C[5]C[5]HH){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|N<2>,4|H<1>}	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>}	132.2320	0.000	1	132.2320	0.000	1	132.6060	5.819	4	132.6060	5.819	4	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:3:4:	3:4:1:1:	4:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,6]N[5,6]C[5]H)(C[6]C[5,6]H)(C[5]C[5]HH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](C[5,6]N[5,5,6]C[6a]O[5])(C[5,6]C[5,6]C[5])(H)	C[5,6](C[5,6]N[5,6]C[5]H)(C[6]C[5,6]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	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>}	129.3590	0.000	1	129.3590	0.000	1	132.6060	5.819	4	132.6060	5.819	4	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:3:4:	3:4:1:1:	4:3:4:	C[5,5,6]-4:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[6]C[5,6,6]C)(C[5]C[5]HH)	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5]HO)(H)2	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[5,6]C[5,5,6]C[5])(CH3)	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[6]C[5,6,6]C)(C[5]C[5]HH){2|H<1>,2|O<2>,6|C<4>}	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5]HO)(H)2{1|O<2>,5|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[5,6]C[5,5,6]C[5])(CH3){2|O<2>,5|H<1>,7|C<4>}	129.9720	0.000	1	129.9720	0.000	1	129.9720	0.000	1	129.9720	0.000	1	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:3:4:	3:4:3:1:	3:3:2:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:C-3:H-1:	C[6,6a]-3:C[5,6]-3:O-2:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]O)(C[5]C[5]CH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]O[5]H)(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(OC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]O)(C[5]C[5]CH){2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]O[5]H)(COO)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(OC){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	132.4390	0.000	1	132.4390	0.000	1	132.4390	0.000	1	132.4390	0.000	1	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:3:4:	3:4:4:1:	4:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,5,6]H)(C[5]C[5]2H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2H)(C[5]C[5]HH)(H)	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]C)(C[5,6]C[5,6]C[5])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,5,6]H)(C[5]C[5]2H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2H)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]C)(C[5,6]C[5,6]C[5])(H){3|H<1>,8|C<4>}	128.7000	0.000	1	128.7000	0.000	1	128.7000	0.000	1	128.7000	0.000	1	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:4:3:	3:2:1:1:	3:3:1:	C[5,6,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H)	C[5](C[5,6]C[5,6,6]C[6])(O[5]C[5,6])(H)2	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6,6]C[6])(O[5]C[5,6])(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]H)(H){1|O<2>,2|C<4>,4|H<1>}	133.9240	0.000	1	133.9240	0.000	1	133.9240	0.000	1	133.9240	0.000	1	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:4:3:	3:2:1:1:	3:4:1:	C[5,5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5]O[5]HH)(C[6]C[6]H)	C[5](C[5,6]C[5,5,6]C[6])(O[5]C[5,5])(H)2	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6,6]HH)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5]O[5]HH)(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,5,6]C[6])(O[5]C[5,5])(H)2{1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6,6]HH)(H){1|O<2>,3|C<4>,4|H<1>}	128.1560	0.000	1	128.1560	0.000	1	128.1560	0.000	1	129.3125	0.536	6	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:4:3:	3:2:1:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6a]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H){2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6a]C[6]H)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	129.4680	0.000	1	129.4680	0.000	1	129.5438	0.269	5	129.3125	0.536	6	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:4:3:	3:2:1:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H){1|C<3>,1|N<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]N[6]HH)(H){1|O<2>,1|S<4>,2|C<4>,3|H<1>}	129.7930	0.000	1	129.7930	0.000	1	129.5438	0.269	5	129.3125	0.536	6	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:4:3:	3:2:1:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]O[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H){1|C<3>,1|O<2>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]O[6]HH)(H){1|O<2>,2|C<4>,3|H<1>}	130.2720	0.000	1	130.2720	0.000	1	129.5438	0.269	5	129.3125	0.536	6	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:4:3:	3:2:1:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]H){1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	128.9030	0.000	1	128.9030	0.000	1	129.5438	0.269	5	129.3125	0.536	6	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:4:3:	3:2:1:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]O[5]HH)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HO)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]O[5]HH)(C[6]C[6]H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HO)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	129.2830	0.000	1	129.2830	0.000	1	129.5438	0.269	5	129.3125	0.536	6	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:4:3:	3:2:1:1:	3:4:3:	C[5,6,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-3:C[6]-4:C-3:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]O[5]HH)(C[6]C[6]C)	C[5](C[5,6]C[5,6,6]C[6])(O[5]C[5,6])(H)2	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(COO)	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]O[5]HH)(C[6]C[6]C){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6])(O[5]C[5,6])(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(COO){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	130.9740	0.161	2	130.9740	0.026	2	130.9740	0.026	2	130.9303	0.019	3	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:4:3:	3:2:1:1:	3:4:3:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-3:C[6]-4:C-3:	C[5,6](C[5,6]C[5,6]2H)(C[5]O[5]HH)(C[6]C[6]C)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5,6])(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(CC[6]H)	C[5,6](C[5,6]C[5,6]2H)(C[5]O[5]HH)(C[6]C[6]C){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5,6])(H)2{1|C<3>,1|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(CC[6]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	130.8430	0.000	1	130.8430	0.000	1	130.8430	0.000	1	130.9303	0.019	3	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:4:3:	3:2:2:1:	3:4:1:	C[5,6,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:O[5]-2:O-2:H-1:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]H)	C[5](C[5,6]C[5,6,6]C[6])(O[5]C[5])(OC)(H)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HO)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]H){3|C<4>,3|O<2>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6])(O[5]C[5])(OC)(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HO)(H){2|O<2>,3|C<4>,3|H<1>}	126.4690	0.000	1	126.4690	0.000	1	126.4690	0.000	1	126.4690	0.000	1	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:4:3:	3:2:4:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:O[5]-2:C-4:H-1:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(CHHN)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]H){1|C<4>,1|O<2>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(CHHN)(H){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(H){2|O<2>,3|C<4>,3|H<1>}	129.8250	0.000	1	129.8250	0.000	1	129.8250	0.000	1	129.8250	0.000	1	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:4:3:	3:3:1:1:	3:2:4:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5,6]-3:O[6]-2:C-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]O[6]C)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2	C[6](C[5,6]C[5,6]C[5])(O[6]C[6])(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]O[6]C){1|C<3>,1|S<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2{1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(O[6]C[6])(CH3){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	127.0000	0.044	2	127.0000	0.002	2	127.0000	0.002	2	127.0000	0.002	2	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:4:3:	3:3:1:1:	3:3:1:	C[5,6,6]-4:C[5]-4:C[6]-3:	C[5,6a]-3:C[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6]O)(C[5]C[5,6a]HH)(C[6]C[6]H)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6])(H)2	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[5,6]O)(H)	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6]O)(C[5]C[5,6a]HH)(C[6]C[6]H){1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6])(H)2{1|O<2>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[5,6]O)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	130.6425	0.108	2	130.6425	0.012	2	130.6425	0.012	2	130.6425	0.012	2	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:4:3:	3:3:1:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:N[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]N[5,6]HH)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(N[5,6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]N[5,6]HH)(C[6]C[6]H){1|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(N[5,6]C[5,6]C[6])(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	126.0720	0.000	1	126.0720	0.000	1	126.0720	0.000	1	127.7652	4.916	6	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:4:3:	3:3:1:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2{2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	127.9740	0.000	1	126.1950	6.330	2	127.1157	5.708	3	127.7652	4.916	6	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:4:3:	3:3:1:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]H){1|S<4>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2{2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	124.4160	0.000	1	126.1950	6.330	2	127.1157	5.708	3	127.7652	4.916	6	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:4:3:	3:3:1:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6a]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]H){1|S<4>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6a]C[6]H)(H){1|C<2>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	128.9570	0.000	1	128.9570	0.000	1	127.1157	5.708	3	127.7652	4.916	6	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:4:3:	3:3:1:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6a]-3:C[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6a]C[6,6]H)(C[5]C[5,6a]HH)(C[6]C[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6,6]H)(C[5]C[5,6a]HH)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	129.5860	1.550	2	129.5860	2.402	2	129.5860	2.402	2	127.7652	4.916	6	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:4:3:	3:3:1:1:	3:4:4:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]C)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[3,6]CH)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]C){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2{2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[3,6]CH)(CH3){1|N<3>,2|H<1>,5|C<4>}	126.7440	0.124	2	126.7440	0.015	2	126.9157	0.096	3	126.9157	0.096	3	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:4:3:	3:3:1:1:	3:4:4:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CHHN)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C){1|C<3>,1|S<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CHHN){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	127.2590	0.000	1	127.2590	0.000	1	126.9157	0.096	3	126.9157	0.096	3	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:4:3:	3:3:1:1:	4:3:4:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6a]-3:C[5,6]-3:H-1:H-1:	C[5,6,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,6]C[5,6,6]C[5,6a]H)(C[5]C[5,6a]HH)(C[6]C[5,6,6]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H)2	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[5,6]C[5,6]C[5])(CH3)	C[5,6](C[5,6]C[5,6,6]C[5,6a]H)(C[5]C[5,6a]HH)(C[6]C[5,6,6]C){3|C<3>,4|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[5,6]C[5,6]C[5])(CH3){1|C<4>,6|C<3>,7|H<1>}	126.4370	0.000	2	126.4370	0.000	2	126.4370	0.000	2	126.4370	0.000	2	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:4:3:	3:3:2:1:	3:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6a]-3:C[5,6]-3:O-2:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]HO)(C[6]C[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(OH)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]HO)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(OH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	125.9430	0.447	2	125.9430	0.200	2	125.9430	0.200	2	125.9430	0.200	2	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:4:3:	3:3:4:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	128.6643	0.222	3	128.6643	0.049	3	128.6643	0.049	3	128.6643	0.049	3	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:4:3:	3:3:4:4:	3:4:1:	C[5,6,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-3:C-4:C-4:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6,6]C[6,6]O[5]O[6])(C[5]C[5]CC)(C[6]C[6]H)	C[5](C[5,6]C[5,6,6]C[6])(C[5]O[5]O)(CCHH)2	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)	C[5,6](C[5,6,6]C[6,6]O[5]O[6])(C[5]C[5]CC)(C[6]C[6]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6,6]C[6])(C[5]O[5]O)(CCHH)2{1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	127.0330	0.000	1	127.0330	0.000	1	127.0330	0.000	1	127.0330	0.000	1	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:2:2:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:O[6]-2:C-2:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]O[6]C)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6a])(CC)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]O[6]C){1|S<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<2>,1|C<3>,1|H<1>,1|O<2>,1|S<4>}	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6a])(CC){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	130.1480	0.000	1	130.1480	0.000	1	130.1480	0.000	1	130.1480	0.000	1	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:2:4:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:O[6]-2:C-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]HH)(C[6]O[6]C)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(O[6]C[6])(CF3)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]HH)(C[6]O[6]C){2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5])(O[6]C[6])(CF3){2|O<2>,3|C<4>,3|H<1>}	132.4570	0.000	1	132.4570	0.000	1	130.4130	8.356	2	130.4130	8.356	2	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:2:4:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:O[6]-2:C-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]O[6]C)	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H)(H)2	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6])(CHHO)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]O[6]C){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6])(CHHO){1|O<2>,3|C<4>,4|H<1>}	128.3690	0.000	1	128.3690	0.000	1	130.4130	8.356	2	130.4130	8.356	2	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[3,5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[3,5,6]C[3,5]C[6]O[3])(C[5]C[5]HH)(C[6]C[6]H)	C[5](C[5,6]C[3,5,6]C[6])(C[5]C[3,5]HH)(H)2	C[6](C[5,6]C[3,5,6]C[5])(C[6]C[6]O)(H)	C[5,6](C[3,5,6]C[3,5]C[6]O[3])(C[5]C[5]HH)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,6]C[3,5,6]C[6])(C[5]C[3,5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[5,6]C[3,5,6]C[5])(C[6]C[6]O)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	130.7990	0.000	1	130.7990	0.000	1	130.7990	0.000	1	128.2721	1.060	12	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[5,5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]H)	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]HH)(H)2	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6]O)(H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]H){1|O<2>,2|O<1>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6]O)(H){1|C<3>,3|C<4>,4|H<1>}	128.2125	0.777	2	128.2125	0.604	2	128.2125	0.604	2	128.2721	1.060	12	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[5,6,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]H)	C[5](C[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]O)(H)	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]O)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	128.6520	0.000	1	128.6520	0.000	1	128.6520	0.000	1	128.2721	1.060	12	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]SS)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]H)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H){1|C<3>,1|C<4>,2|S<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]SS)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]H)(H){3|H<1>,4|C<4>}	127.9236	0.711	8	127.9236	0.506	8	127.9236	0.506	8	128.2721	1.060	12	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:3:2:	C[5,3x6]-4:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-3:O-2:	C[5,6](C[5,3x6]C[3x6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O)	C[5](C[5,6]C[5,3x6]C[6])(C[5]N[5,6]HH)(H)2	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6,6]O)(OH)	C[5,6](C[5,3x6]C[3x6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O){1|O<1>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5,3x6]C[6])(C[5]N[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6,6]O)(OH){1|N<4>,3|H<1>,4|C<4>}	128.2090	0.000	1	128.2090	0.000	1	128.2090	0.000	1	128.2090	0.000	1	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:3:4:	C[5,5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-3:C-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]C)	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5]HH)(H)2	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6]O)(CH3)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]C){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6]O)(CH3){4|C<4>,4|H<1>}	127.1200	0.000	1	127.1200	0.000	1	127.1200	0.000	1	127.1200	0.000	1	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[5,5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(C[6]C[6]H)	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5]CC)(H)2	C[6](C[5,6]C[5,5,6]C[5])(C[6]O[6]HH)(H)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(C[6]C[6]H){1|N<3>,1|O<2>,4|C<3>,5|H<1>}	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5]CC)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5])(C[6]O[6]HH)(H){1|C<3>,2|H<1>,3|C<4>}	128.9470	0.000	1	128.9470	0.000	1	128.9470	0.000	1	128.8788	1.492	11	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[5,5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:O-1:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]H)	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]CO)(H)(O)	C[6](C[5,6]C[5,5,6]C[5])(C[6]N[6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,2|N<3>,7|H<1>}	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]CO)(H)(O){1|N<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,5,6]C[5])(C[6]N[6]HH)(H){1|H<1>,1|O<1>,1|S<4>,4|C<4>}	127.8490	0.000	1	127.8490	0.000	1	127.8490	0.000	1	128.8788	1.492	11	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[5,6,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]H)	C[5](C[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HO)(H)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HO)(H){1|N<4>,1|O<2>,2|C<4>,4|H<1>}	132.1790	0.000	1	132.1790	0.000	1	132.1790	0.000	1	128.8788	1.492	11	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H){1|C<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H){1|O<2>,3|C<4>,4|H<1>}	128.3513	0.041	3	128.3513	0.002	3	128.5865	0.325	8	128.8788	1.492	11	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]N[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]N[6]CH)(H){1|C<3>,2|C<4>,4|H<1>}	129.1030	0.000	1	129.1030	0.000	1	128.5865	0.325	8	128.8788	1.492	11	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[6,6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HO)(H)	C[5,6](C[5,6]C[6,6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HO)(H){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	128.2450	1.086	2	128.2450	1.180	2	128.5865	0.325	8	128.8788	1.492	11	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H){2|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|N<3>,2|C<4>,5|H<1>}	129.1780	0.000	1	129.0225	0.048	2	128.5865	0.325	8	128.8788	1.492	11	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H){2|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|N<4>,2|C<4>,5|H<1>}	128.8670	0.000	1	129.0225	0.048	2	128.5865	0.325	8	128.8788	1.492	11	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:4:4:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(C[6]C[6]C)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]O[6]H)(CH3)	C[5,6](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(C[6]C[6]C){1|C<3>,1|O<1>,2|C<4>,2|O<2>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]O[6]H)(CH3){2|H<1>,3|C<3>,4|C<4>}	131.5775	0.081	2	131.5775	0.007	2	131.5775	0.007	2	131.5775	0.007	2	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:4:3:	3:4:2:1:	3:4:4:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:O-2:H-1:	C[5,6]-3:C[6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]C)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]2H)(CClHH)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]C){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(OH)(H){1|C<3>,1|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]2H)(CClHH){1|C<3>,2|H<1>,2|O<2>,6|C<4>}	126.1790	0.000	1	126.1790	0.000	1	126.1790	0.000	1	126.1790	0.000	1	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:4:3:	3:4:3:1:	3:2:2:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:P[5]-4:C-3:H-1:	C[5,6]-3:O[6]-2:O-2:	C[5,6](C[5,6]C[5]C[6]H)(C[5]P[5]CH)(C[6]O[6]O)	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]2C[5])(COO)(H)	C[6](C[5,6]C[5,6]C[5])(O[6]B[6])(OC)	C[5,6](C[5,6]C[5]C[6]H)(C[5]P[5]CH)(C[6]O[6]O){1|B<4>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]2C[5])(COO)(H){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5])(O[6]B[6])(OC){1|P<4>,2|C<4>,2|H<1>,3|C<3>}	120.4740	0.000	1	120.4740	0.000	1	120.4740	0.000	1	120.4740	0.000	1	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:4:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:C-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]Os)(C[5]C[5]CH)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)(CCP)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]Os)(C[5]C[5]CH)(C[6]C[6]H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)(CCP)(H){1|Os<8>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|Os<8>,2|C<3>,2|C<4>,2|H<1>}	129.5680	0.000	1	129.5680	0.000	1	129.5680	0.000	1	129.5680	0.000	1	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:4:3:	3:4:3:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:C-3:H-1:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HO)(CCC)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HO)(CCC)(H){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	126.0755	0.095	2	126.0755	0.009	2	126.0755	0.009	2	126.0755	0.009	2	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:4:3:	3:4:4:1:	3:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:C[5,6]-4:C-4:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CH)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(C[5,6]C[5,6]2H)(CH3)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CH)(C[6]C[6]H){1|O<1>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5,6]C[5,6]2H)(CH3)(H){1|C<3>,3|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(H){3|H<1>,5|C<4>}	125.7890	0.000	1	125.7890	0.000	1	125.7890	0.000	1	125.7890	0.000	1	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:4:3:	3:4:4:1:	3:3:4:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:C-4:H-1:	C[5,6]-3:C[6]-3:C-4:	C[5,6](C[5,6]C[5,6]O[5]O)(C[5]C[5]CH)(C[6]C[6]C)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(CH3)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]O)(CH3)	C[5,6](C[5,6]C[5,6]O[5]O)(C[5]C[5]CH)(C[6]C[6]C){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]O)(CH3){2|H<1>,2|O<2>,4|C<4>}	132.7040	0.000	1	132.7040	0.000	1	132.7040	0.000	1	132.7040	0.000	1	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:C-4:H-1:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]H){2|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)(H){3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H){1|H<1>,7|C<4>}	126.1270	0.000	1	126.1270	0.000	1	126.1270	0.000	1	126.1270	0.000	1	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:4:3:	3:4:4:1:	3:4:4:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:C-4:H-1:	C[5,6]-3:C[6]-4:C[6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]2)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]2H)(C[6]N[6]HH)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]2){1|N<3>,2|C<4>,9|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H){2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]2H)(C[6]N[6]HH){1|S<4>,5|H<1>,7|C<4>}	127.6590	0.000	1	127.6590	0.000	1	127.6590	0.000	1	127.6590	0.000	1	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:4:3:	3:4:4:4:	3:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CC)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HO)(CCHO)(CH3)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]O)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CC)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HO)(CCHO)(CH3){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]O)(H){8|C<4>}	125.6110	0.000	1	125.6110	0.000	1	125.6110	0.000	1	125.6110	0.000	1	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:4:3:	3:4:4:4:	3:4:4:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5,6]-3:C[6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CC)(C[6]C[6]C)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHHO)(CH3)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(CHHO)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CC)(C[6]C[6]C){1|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHHO)(CH3){1|C<3>,1|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(CHHO){1|C<3>,2|H<1>,4|C<4>}	130.4060	0.000	1	130.4060	0.000	1	130.4060	0.000	1	130.4060	0.000	1	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:4:3:	4:3:1:1:	3:3:1:	C[3,5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-3:Br-1:	C[5,6](C[3,5,6]C[3,5,6]C[6,6a]O[3])(C[5]C[5,6]HH)(C[6]C[6]Br)	C[5](C[5,6]C[3,5,6]C[6]C)(C[5,6]C[3,5,6]C[6])(H)2	C[6](C[5,6]C[3,5,6]C[5])(C[6]C[6,6a]O)(Br)	C[5,6](C[3,5,6]C[3,5,6]C[6,6a]O[3])(C[5]C[5,6]HH)(C[6]C[6]Br){1|C<4>,1|O<1>,4|C<3>}	C[5](C[5,6]C[3,5,6]C[6]C)(C[5,6]C[3,5,6]C[6])(H)2{1|Br<1>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[5,6]C[3,5,6]C[5])(C[6]C[6,6a]O)(Br){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	129.5720	0.000	1	129.5720	0.000	1	129.5720	0.000	1	130.1729	1.537	8	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:4:3:	4:3:1:1:	3:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6])(H)2{1|C<3>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(H){3|C<4>,5|H<1>}	127.7180	0.000	1	127.7180	0.000	1	130.2587	1.724	7	130.1729	1.537	8	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:4:3:	4:3:1:1:	3:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5,6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]H){1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5,6]C[5,6]C[6])(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|N<3>,2|C<4>,4|H<1>}	130.5803	0.511	3	130.5803	0.261	3	130.2587	1.724	7	130.1729	1.537	8	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:4:3:	4:3:1:1:	3:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6]S)(C[5,6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]H){1|O<2>,1|S<2>,2|H<1>,3|C<3>}	C[5](C[5,6]N[5,6]C[6]S)(C[5,6]C[5,6]C[6])(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|N<3>,2|C<4>,4|H<1>}	130.7840	1.056	3	130.7840	1.115	3	130.2587	1.724	7	130.1729	1.537	8	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:4:3:	4:3:1:1:	3:3:2:	C[5,6]-4:C[5]-4:C[6]-3:	C[3x5]-4:C[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-3:O-2:	C[5,6](C[5,6]C[3x5]C[6]C)(C[5]C[3x5]HH)(C[6]C[6]O)	C[5](C[3x5]C[3x5]C[5]2)(C[5,6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]O[6]O)(OH)	C[5,6](C[5,6]C[3x5]C[6]C)(C[5]C[3x5]HH)(C[6]C[6]O){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[5](C[3x5]C[3x5]C[5]2)(C[5,6]C[5,6]C[6])(H)2{2|C<3>,2|O<2>,3|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]O[6]O)(OH){2|H<1>,4|C<4>}	128.4290	0.000	1	128.4290	0.000	1	128.4290	0.000	1	128.4290	0.000	1	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:4:3:	4:3:1:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5,6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5,6]C[5,6]C[6])(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|N<3>,2|C<4>,5|H<1>}	127.2672	0.247	4	127.2672	0.061	4	127.2672	0.061	4	127.2672	0.061	4	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	4:4:3:	4:3:4:2:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[3,5]-4:C[5,6]-3:C-4:O-2:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[3,5]C[6]C)(C[5]C[3,5]CO)(C[6]C[6]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6])(CH3)(OH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)	C[5,6](C[5,6]C[3,5]C[6]C)(C[5]C[3,5]CO)(C[6]C[6]H){1|O<2>,2|C<4>,5|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6])(CH3)(OH){3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(H){1|O<2>,2|H<1>,5|C<4>}	124.2100	0.000	1	124.2100	0.000	1	124.2100	0.000	1	124.2100	0.000	1	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	6:3:4:	3:4:1:1:	3:3:4:	C[5x3,6x5,21x6]-6:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6,6a]-3:Si-4:	C[5,6](C[5x3,6x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,6x5,20x6])(C[6]C[6,6a]Si)(C[5]C[5]HH)	C[5](C[5,6]C[5x3,6x5,21x6]C[6])(C[5]C[5x3,6x5,20x6]CH)(H)2	C[6](C[5,6]C[5x3,6x5,21x6]C[5])(C[6,6a]C[6,6a]C[6a])(SiC3)	C[5,6](C[5x3,6x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,6x5,20x6])(C[6]C[6,6a]Si)(C[5]C[5]HH){1|C<4>,2|C<3>,4|H<1>,5|B<6>}	C[5](C[5,6]C[5x3,6x5,21x6]C[6])(C[5]C[5x3,6x5,20x6]CH)(H)2{1|Si<4>,1|C<3>,6|B<6>}	C[6](C[5,6]C[5x3,6x5,21x6]C[5])(C[6,6a]C[6,6a]C[6a])(SiC3){1|C<4>,1|C<6>,2|C<3>,3|H<1>,4|B<6>}	132.4780	0.733	3	132.4780	0.537	3	132.4178	0.372	4	132.4178	0.372	4	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5,6]	C[5]	C[6]	6:3:4:	3:4:1:1:	3:3:4:	C[5x3,6x5,21x6]-6:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6,6a]-3:Si-4:	C[5,6](C[5x3,6x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,6x5,20x6])(C[6]C[6,6a]Si)(C[5]C[5]HH)	C[5](C[5,6]C[5x3,6x5,21x6]C[6])(C[5]C[5x3,6x5,20x6]HH)(H)2	C[6](C[5,6]C[5x3,6x5,21x6]C[5])(C[6,6a]C[6,6a]C[6a])(SiC3)	C[5,6](C[5x3,6x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,6x5,20x6])(C[6]C[6,6a]Si)(C[5]C[5]HH){2|C<3>,5|B<6>,5|H<1>}	C[5](C[5,6]C[5x3,6x5,21x6]C[6])(C[5]C[5x3,6x5,20x6]HH)(H)2{1|Si<4>,1|C<3>,6|B<6>}	C[6](C[5,6]C[5x3,6x5,21x6]C[5])(C[6,6a]C[6,6a]C[6a])(SiC3){1|C<4>,1|C<6>,2|C<3>,3|H<1>,4|B<6>}	132.2370	0.000	1	132.2370	0.000	1	132.4178	0.372	4	132.4178	0.372	4	128.4350	9.087	371	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5]	C[5,5,6]	C[6]	3:4:3:	4:4:3:1:	3:3:4:	C[5,6a]-3:C[5,5,6]-4:C[6]-3:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[6,6a]-3:C[6]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(C[6]C[6,6a]C[6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]C[6])(H)	C[6](C[5]C[5,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(C[6]C[6,6a]C[6]){4|C<3>,4|H<1>,5|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]C[6])(H){2|C<4>,3|C<3>,5|H<1>}	C[6](C[5]C[5,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){3|H<1>,4|C<3>,4|C<4>}	123.5180	0.000	1	123.5180	0.000	1	125.3260	6.538	2	125.3260	6.538	2	125.3260	6.538	2	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5]	C[5,5,6]	C[6]	3:4:3:	4:4:3:1:	3:3:4:	C[5,6a]-3:C[5,5,6]-4:C[6]-3:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[6,6a]-3:C[6]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(C[6]C[6,6a]C[6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]C[6])(H)	C[6](C[5]C[5,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(C[6]C[6,6a]C[6]){1|N<3>,3|C<4>,4|H<1>,5|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]C[6])(H){2|C<4>,3|C<3>,5|H<1>}	C[6](C[5]C[5,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H){2|H<1>,4|C<4>,6|C<3>}	127.1340	0.000	1	127.1340	0.000	1	125.3260	6.538	2	125.3260	6.538	2	125.3260	6.538	2	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6,6]	4:4:3:	4:3:2:1:	4:4:3:	C[5,5]-4:C[5,5]-4:C[6,6]-3:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[3x6]-4:C[3x6]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]O[5]H)(C[6,6]C[3x6]2)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6,6])(O[5]N[5])(H)	C[6,6](C[3x6]C[6,6]2H)2(C[5]C[5,5]2)	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]O[5]H)(C[6,6]C[3x6]2){1|O<2>,2|C<3>,2|N<2>,4|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6,6])(O[5]N[5])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(C[5]C[5,5]2){10|H<1>,1|C<3>,1|O<2>,4|C<4>}	125.5950	0.000	1	125.5950	0.000	1	125.5950	0.000	1	125.5950	0.000	1	126.4975	1.629	2	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6,6]	4:4:3:	4:3:3:1:	4:4:3:	C[5,5]-4:C[5,5]-4:C[6,6]-3:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[3x6]-4:C[3x6]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]O[5]H)(C[6,6]C[3x6]2)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5,5]C[6,6])(C[5]C[6a]N[5])(H)	C[6,6](C[3x6]C[6,6]2H)2(C[5]C[5,5]2)	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]O[5]H)(C[6,6]C[3x6]2){1|O<2>,2|C<3>,2|N<2>,4|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5,5]C[6,6])(C[5]C[6a]N[5])(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6]2H)2(C[5]C[5,5]2){10|H<1>,1|C<3>,1|O<2>,4|C<4>}	127.4000	0.000	1	127.4000	0.000	1	127.4000	0.000	1	127.4000	0.000	1	126.4975	1.629	2	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5]	C[5,5]	C[6]	3:4:3:	3:3:2:2:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6]-3:	C[5,6a]-3:C[5]-3:O[5]-2:O[5]-2:	C[5]-3:C[6]-3:C[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]2)(C[6]C[6]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(O[5]C[5,6a])(O[5]C[5])	C[6](C[5]C[5,6a]C[5,5])(C[6]C[6]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]2)(C[6]C[6]2){3|H<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(O[5]C[5,6a])(O[5]C[5]){1|H<1>,1|O<1>,6|C<3>}	C[6](C[5]C[5,6a]C[5,5])(C[6]C[6]H)2{2|C<4>,2|O<2>,4|C<3>}	123.0400	0.000	1	123.0400	0.000	1	123.0400	0.000	1	123.0400	0.000	1	123.0400	0.000	1	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5]	C[5,6,6]	C[6]	4:3:3:	4:4:3:2:	3:4:3:	C[5,6,6]-4:C[5]-3:C[6]-3:	C[5,3x6]-4:C[3x6]-4:C[5]-3:O-2:	C[5]-3:C[6]-4:C[6]-3:	C[5](C[5,6,6]C[5,3x6]C[3x6]O)(C[5]C[5,6,6]H)(C[6]C[6]2)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]Cl)(C[3x6]C[3x6]O[6]2)(C[5]C[5]C[6])(OH)	C[6](C[5]C[5,6,6]C[5])(C[6]C[6]HO)(C[6]C[6]H)	C[5](C[5,6,6]C[5,3x6]C[3x6]O)(C[5]C[5,6,6]H)(C[6]C[6]2){1|Cl<1>,1|C<3>,2|H<1>,3|O<2>,5|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]Cl)(C[3x6]C[3x6]O[6]2)(C[5]C[5]C[6])(OH){1|H<1>,1|O<2>,3|C<4>,5|C<3>}	C[6](C[5]C[5,6,6]C[5])(C[6]C[6]HO)(C[6]C[6]H){1|O<2>,4|C<4>,5|H<1>}	125.4220	0.030	2	125.4220	0.001	2	125.4220	0.001	2	125.4220	0.001	2	125.4220	0.001	2	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5]	C[5,6]	C[6]	3:4:3:	3:2:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5]-3:O[5]-2:C[6]-3:C[6]-3:	C[5]-3:C[6]-3:C[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(C[6]C[6]2)	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]C[5,6a]C[5,6])(C[6]C[6]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(C[6]C[6]2){2|N<3>,2|O<1>,3|H<1>,4|C<3>}	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]C[5,6a]C[5,6])(C[6]C[6]H)2{1|O<2>,2|C<4>,5|C<3>}	121.8290	0.000	1	121.8290	0.000	1	121.8290	0.000	1	121.8290	0.000	1	124.5865	15.208	2	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5]	C[5,6]	C[6]	4:3:3:	3:4:4:4:	3:3:3:	C[5,6]-4:N[5]-3:C[6]-3:	C[5]-3:C[5]-4:C[6]-4:C[6]-4:	C[5]-3:C[6]-3:C[6]-3:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(C[6]C[6]2)	C[5,6](C[5]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[5]C[5,6]N[5])(C[6]C[6]H)2	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(C[6]C[6]2){4|C<3>,5|C<4>,7|H<1>}	C[5,6](C[5]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH){3|C<3>,3|H<1>,4|C<4>}	C[6](C[5]C[5,6]N[5])(C[6]C[6]H)2{1|O<2>,3|C<3>,4|C<4>}	127.3440	0.000	1	127.3440	0.000	1	127.3440	0.000	1	127.3440	0.000	1	124.5865	15.208	2	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5]	C[5]	C[6]	3:3:4:	3:4:2:1:	3:3:3:	C[5,6a]-3:C[6]-3:C[5]-4:	C[5]-3:C[5]-4:O-2:H-1:	C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6]C[6,6a]2)(C[5]C[5]HO)	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(OC)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6]C[6,6a]2)(C[5]C[5]HO){2|H<1>,7|C<3>}	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(OC)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]C[5]){1|C<4>,1|O<2>,1|S<2>,3|H<1>,6|C<3>}	124.3690	0.000	1	124.3690	0.000	1	124.3690	0.000	1	124.3690	0.000	1	124.6975	4.740	40	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5]	C[5]	C[6]	3:3:4:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[6]-3:C[5]-4:	C[5]-3:C[5]-4:C-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6]C[6,6a]2)(C[5]C[5]CH)	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6]C[6,6a]2)(C[5]C[5]CH){2|H<1>,7|C<3>}	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(CH3)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]C[5]){1|N<3>,2|C<4>,3|H<1>,6|C<3>}	125.4210	0.983	2	125.4210	0.966	2	125.4210	0.966	2	125.4210	0.966	2	124.6975	4.740	40	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5]	C[5]	C[6]	3:4:3:	3:2:1:1:	3:4:3:	C[6]-3:C[5]-4:C[5]-3:	C[5]-3:O[5]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:C[5]-3:	C[5](C[6]C[6,6a]C[6])(C[5]O[5]HH)(C[5]C[5]C)	C[5](C[5]C[5]C[6])(O[5]C[5])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]2)	C[5](C[6]C[6,6a]C[6])(C[5]O[5]HH)(C[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]C[6])(O[5]C[5])(H)2{1|C<4>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]2){1|O<2>,5|C<3>,5|H<1>}	124.5645	1.716	2	124.5645	2.945	2	124.5645	2.945	2	124.5645	2.945	2	124.6975	4.740	40	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5]	C[5]	C[6]	3:4:3:	3:2:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:C[6]-3:	C[5]-3:O[5]-2:C-3:C-3:	C[5]-3:C[6]-3:C[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(C[6]C[6]2)	C[5](C[5]C[5,6a]C[6])(O[5]C[5,6a])(COO)2	C[6](C[5]C[5,6a]C[5])(C[6]C[6]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(C[6]C[6]2){3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6])(O[5]C[5,6a])(COO)2{4|C<3>}	C[6](C[5]C[5,6a]C[5])(C[6]C[6]H)2{1|O<2>,2|C<4>,5|C<3>}	124.6890	0.000	1	124.6890	0.000	1	124.6890	0.000	1	124.6890	0.000	1	124.6975	4.740	40	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5]	C[5]	C[6]	3:4:3:	3:3:1:1:	4:3:3:	C[6]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6,6]-4:C[6]-3:C[5]-3:	C[5](C[6]C[5,6,6]C[6])(C[5]C[5,6a]HH)(C[5]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H)2	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,6]H)(C[5]C[5]2)	C[5](C[6]C[5,6,6]C[6])(C[5]C[5,6a]HH)(C[5]C[5,6a]H){1|H<1>,2|C<3>,4|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,6]H)(C[5]C[5]2){1|C<4>,7|C<3>,8|H<1>}	121.6360	0.000	2	121.6360	0.000	2	121.6360	0.000	2	121.6360	0.000	2	124.6975	4.740	40	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5]	C[5]	C[6]	3:4:3:	3:4:1:1:	2:4:3:	C[6]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	S[6]-2:C[6]-4:C[5]-3:	C[5](C[6]C[6]S[6])(C[5]C[5]HH)(C[5]C[5]2)	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(H)2	C[6](S[6]C[6,6a])(C[6]C[6]HH)(C[5]C[5]2)	C[5](C[6]C[6]S[6])(C[5]C[5]HH)(C[5]C[5]2){2|C<3>,2|C<4>,6|H<1>}	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6](S[6]C[6,6a])(C[6]C[6]HH)(C[5]C[5]2){2|C<4>,3|C<3>,4|H<1>}	122.3990	0.000	1	122.3990	0.000	1	121.9260	0.447	2	121.9260	0.447	2	124.6975	4.740	40	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5]	C[5]	C[6]	3:4:3:	3:4:1:1:	2:4:3:	C[6]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	S[6]-2:C[6]-4:C[5]-3:	C[5](C[6]C[6]S[6])(C[5]C[5]HH)(C[5]C[5]C)	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(H)2	C[6](S[6]C[6,6a])(C[6]C[6]HH)(C[5]C[5]2)	C[5](C[6]C[6]S[6])(C[5]C[5]HH)(C[5]C[5]C){1|C<3>,1|C<4>,6|H<1>}	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6](S[6]C[6,6a])(C[6]C[6]HH)(C[5]C[5]2){2|C<4>,3|C<3>,4|H<1>}	121.4530	0.000	1	121.4530	0.000	1	121.9260	0.447	2	121.9260	0.447	2	124.6975	4.740	40	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5]	C[5]	C[6]	3:4:3:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]2)	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)2	C[6](C[5]C[5,6a]C[5])(C[6]O[6]O)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]2){2|C<3>,2|O<1>,2|O<2>,3|H<1>}	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)2{4|C<3>}	C[6](C[5]C[5,6a]C[5])(C[6]O[6]O)2{2|C<3>,2|C<4>,2|H<1>}	122.0560	0.369	4	122.0560	0.136	4	122.0560	0.136	4	124.1868	11.004	6	124.6975	4.740	40	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5]	C[5]	C[6]	3:4:3:	3:4:1:1:	3:3:3:	C[6]-3:C[5]-4:N[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[5](C[6]C[6]N[6])(C[5]C[5]HH)(N[5]C[5]Rh)	C[5](C[5]C[6]N[5])(C[5]C[5]HH)(H)2	C[6](C[5]C[5]N[5])(N[6]C[6]Rh)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(C[5]C[5]HH)(N[5]C[5]Rh){2|C<3>,5|H<1>}	C[5](C[5]C[6]N[5])(C[5]C[5]HH)(H)2{1|Rh<6>,1|C<3>,1|N<3>,2|H<1>}	C[6](C[5]C[5]N[5])(N[6]C[6]Rh)(C[6]C[6]H){2|C<3>,2|C<4>,3|H<1>}	128.4485	0.359	2	128.4485	0.129	2	128.4485	0.129	2	124.1868	11.004	6	124.6975	4.740	40	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5]	C[5]	C[6]	3:4:3:	3:4:1:1:	4:3:2:	C[6]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[6]-4:C[5]-3:S[6]-2:	C[5](C[6]C[6]S[6])(C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(H)2	C[6](C[6]C[6a]S[6]H)(C[5]C[5]2)(S[6]C[6])	C[5](C[6]C[6]S[6])(C[5]C[5]HH)(C[5]C[5]O){1|C<3>,1|C<4>,1|S<2>,5|H<1>}	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,1|S<2>,2|H<1>}	C[6](C[6]C[6a]S[6]H)(C[5]C[5]2)(S[6]C[6]){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	125.2570	0.000	1	125.2570	0.000	1	125.2570	0.000	1	125.2570	0.000	1	124.6975	4.740	40	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5]	C[5]	C[6]	3:4:3:	3:4:4:4:	3:3:3:	N[5]-3:C[5]-4:C[6]-3:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-3:C[6]-3:C[6]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(C[6]C[6]2)	C[5](C[5]C[6]N[5])(C[5]C[5]HH)(CCHH)2	C[6](C[5]C[5]N[5])(C[6]C[6]H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(C[6]C[6]2){2|C<4>,4|C<3>,4|H<1>}	C[5](C[5]C[6]N[5])(C[5]C[5]HH)(CCHH)2{2|C<4>,3|C<3>}	C[6](C[5]C[5]N[5])(C[6]C[6]H)2{1|C<3>,1|O<2>,6|C<4>}	124.9050	0.000	1	125.0557	0.184	3	125.0557	0.184	3	125.0557	0.184	3	124.6975	4.740	40	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5]	C[5]	C[6]	3:4:3:	3:4:4:4:	3:3:3:	N[5]-3:C[5]-4:C[6]-3:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-3:C[6]-3:C[6]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(C[6]C[6]2)	C[5](C[5]C[6]N[5])(C[5]C[5]HH)(CCHH)2	C[6](C[5]C[5]N[5])(C[6]C[6]H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(C[6]C[6]2){2|C<4>,4|C<3>,4|H<1>}	C[5](C[5]C[6]N[5])(C[5]C[5]HH)(CCHH)2{2|C<4>,3|C<3>}	C[6](C[5]C[5]N[5])(C[6]C[6]H)2{1|N<3>,3|C<3>,4|C<4>}	125.5400	0.000	1	125.0557	0.184	3	125.0557	0.184	3	125.0557	0.184	3	124.6975	4.740	40	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5]	C[5]	C[6]	3:4:3:	3:4:4:4:	3:3:3:	N[5]-3:C[5]-4:C[6]-3:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-3:C[6]-3:C[6]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(C[6]C[6]2)	C[5](C[5]C[6]N[5])(C[5]C[5]HH)(CCHH)2	C[6](C[5]C[5]N[5])(C[6]C[6]H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(C[6]C[6]2){2|C<4>,4|C<3>,4|H<1>}	C[5](C[5]C[6]N[5])(C[5]C[5]HH)(CCHH)2{2|C<4>,3|C<3>}	C[6](C[5]C[5]N[5])(C[6]C[6]H)2{1|O<2>,3|C<3>,4|C<4>}	124.7220	0.000	1	125.0557	0.184	3	125.0557	0.184	3	125.0557	0.184	3	124.6975	4.740	40	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5]	C[5]	C[6]	4:3:3:	3:3:1:1:	3:3:3:	C[5]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:H-1:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]Ru)(C[6]C[6]N[6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H)2	C[6](N[6]C[6]Ru)(C[5]C[5]2)(C[6]C[6]H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]Ru)(C[6]C[6]N[6]){1|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H)2{1|Ru<6>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6]Ru)(C[5]C[5]2)(C[6]C[6]H){3|C<3>,4|H<1>}	127.0455	0.431	2	127.0455	0.185	2	127.0455	0.185	2	127.1703	0.139	3	124.6975	4.740	40	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5]	C[5]	C[6]	4:3:3:	3:3:1:1:	3:3:3:	C[5]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:H-1:H-1:	N[6]-3:N[6]-3:C[5]-3:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6]N[6]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H)2	C[6](N[6]C[6,6a]H)2(C[5]C[5]2)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6]N[6]2){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H)2{1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[6](N[6]C[6,6a]H)2(C[5]C[5]2){1|O<1>,2|H<1>,5|C<3>}	127.4200	0.000	1	127.4200	0.000	1	127.4200	0.000	1	127.1703	0.139	3	124.6975	4.740	40	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5]	C[5]	C[6]	4:3:3:	3:3:1:1:	4:4:3:	C[5]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[6]-4:C[6]-4:C[5]-3:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6]C[6]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H)2	C[6](C[6]C[6]HH)2(C[5]C[5]2)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]HH)2(C[5]C[5]2){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	125.1250	0.000	1	125.1250	0.000	1	125.1250	0.000	1	125.1250	0.000	1	124.6975	4.740	40	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5]	C[5]	C[6]	4:3:3:	3:3:3:2:	3:3:3:	C[5]-4:C[5]-3:C[6]-3:	N[5,5]-3:C[5]-3:C[6a]-3:O-2:	C[6]-3:C[5]-3:C[6]-3:	C[5](C[5]N[5,5]C[6a]O)(C[5]C[5,5]C)(C[6]C[6]2)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]C[6])(C[6a]C[6a]2)(OH)	C[6](C[6]C[6,6a]O)(C[5]C[5]2)(C[6]O[6]O)	C[5](C[5]N[5,5]C[6a]O)(C[5]C[5,5]C)(C[6]C[6]2){1|C<4>,1|N<3>,1|O<2>,2|O<1>,3|C<3>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]C[6])(C[6a]C[6a]2)(OH){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	C[6](C[6]C[6,6a]O)(C[5]C[5]2)(C[6]O[6]O){1|N<3>,1|O<2>,5|C<3>}	121.7320	0.000	1	121.7320	0.000	1	121.7320	0.000	1	124.9983	8.143	3	124.6975	4.740	40	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5]	C[5]	C[6]	4:3:3:	3:3:3:2:	3:3:3:	C[5]-4:N[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:O-2:	C[5]-3:C[6]-3:C[6]-3:	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]H)(C[6]C[6]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(C[6a]C[6a]2)(OH)	C[6](C[5]C[5]N[5])(C[6]O[6]O)2	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]H)(C[6]C[6]2){2|O<1>,2|O<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(C[6a]C[6a]2)(OH){4|H<1>,6|C<3>}	C[6](C[5]C[5]N[5])(C[6]O[6]O)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	126.6315	0.532	2	126.6315	0.284	2	126.6315	0.284	2	124.9983	8.143	3	124.6975	4.740	40	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5]	C[5]	C[6]	4:3:3:	3:4:1:1:	3:3:3:	C[5]-4:C[6]-3:N[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[5](C[5]C[5]HH)(C[6]C[6]2)(N[5]C[5]H)	C[5](C[5]C[6]N[5])(C[5]C[5]HH)(H)2	C[6](C[5]C[5]N[5])(C[6]O[6]O)2	C[5](C[5]C[5]HH)(C[6]C[6]2)(N[5]C[5]H){2|O<1>,2|O<2>,4|H<1>}	C[5](C[5]C[6]N[5])(C[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	C[6](C[5]C[5]N[5])(C[6]O[6]O)2{3|C<4>,3|H<1>}	126.1480	0.000	1	126.1480	0.000	1	126.1480	0.000	1	126.1480	0.000	1	124.6975	4.740	40	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5]	C[5]	C[6]	4:3:3:	3:4:1:1:	4:3:3:	C[5]-4:C[5]-3:C[6]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[6]-4:C[5]-3:C[6]-3:	C[5](C[5]C[5]HH)(C[5]C[5]H)(C[6]C[6]2)	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(H)2	C[6](C[6]C[6a]O[6]H)(C[5]C[5]2)(C[6]C[6]H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(C[6]C[6]2){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]O[6]H)(C[5]C[5]2)(C[6]C[6]H){2|C<3>,3|C<4>,5|H<1>}	122.6980	0.410	2	122.6980	0.168	2	122.6980	0.168	2	122.6980	0.168	2	124.6975	4.740	40	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5]	C[5]	C[6]	4:3:3:	3:4:3:1:	4:4:3:	C[5]-4:C[5]-3:C[6]-3:	C[5]-3:C[5]-4:C-3:H-1:	C[6]-4:C[6]-4:C[5]-3:	C[5](C[5]C[5]CH)(C[5]C[5]H)(C[6]C[6]2)	C[5](C[5]C[5]C[6])(C[5]C[5]CC)(CCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]2)	C[5](C[5]C[5]CH)(C[5]C[5]H)(C[6]C[6]2){2|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[5]C[6])(C[5]C[5]CC)(CCO)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]2){2|C<3>,2|C<4>,6|H<1>}	125.9760	0.000	1	125.9760	0.000	1	125.9760	0.000	1	126.1960	0.097	2	124.6975	4.740	40	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5]	C[5]	C[6]	4:3:3:	3:4:3:1:	4:4:3:	C[5]-4:C[5]-3:C[6]-3:	C[5]-3:C[5]-4:N-3:H-1:	C[6]-4:C[6]-4:C[5]-3:	C[5](C[5]C[5]HN)(C[5]C[5]H)(C[6]C[6]2)	C[5](C[5]C[5]C[6])(C[5]C[5]HN)(NCN)(H)	C[6](C[6]C[6]HH)2(C[5]C[5]2)	C[5](C[5]C[5]HN)(C[5]C[5]H)(C[6]C[6]2){1|N<3>,2|C<4>,6|H<1>}	C[5](C[5]C[5]C[6])(C[5]C[5]HN)(NCN)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(C[5]C[5]2){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	126.4160	0.000	1	126.4160	0.000	1	126.4160	0.000	1	126.1960	0.097	2	124.6975	4.740	40	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5]	C[5]	C[6]	4:3:3:	3:4:4:4:	3:3:3:	C[5]-4:C[6]-3:N[5]-3:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-3:C[6]-3:C[6]-3:	C[5](C[5]C[5]CC)(C[6]C[6]2)(N[5]C[5]C)	C[5](C[5]C[6]N[5])(C[5]C[5]HH)(CH3)2	C[6](C[5]C[5]N[5])(C[6]C[6]H)2	C[5](C[5]C[5]CC)(C[6]C[6]2)(N[5]C[5]C){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[6]N[5])(C[5]C[5]HH)(CH3)2{2|C<3>,3|C<4>}	C[6](C[5]C[5]N[5])(C[6]C[6]H)2{2|H<1>,6|C<4>}	127.2450	0.000	1	127.2450	0.000	1	127.2450	0.000	1	127.2450	0.000	1	124.6975	4.740	40	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5]	C[5]	C[6]	4:3:3:	3:4:4:4:	3:4:3:	C[5]-4:C[5]-3:C[6]-3:	C[5]-3:C[5]-4:C-4:C-4:	C[6]-3:C[6]-4:C[5]-3:	C[5](C[5]C[5]CC)(C[5]C[5]H)(C[6]C[6]2)	C[5](C[5]C[5]C[6])(C[5]C[5]CH)(CCHH)(CH3)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(C[5]C[5]2)	C[5](C[5]C[5]CC)(C[5]C[5]H)(C[6]C[6]2){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5](C[5]C[5]C[6])(C[5]C[5]CH)(CCHH)(CH3){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(C[5]C[5]2){1|C<3>,2|H<1>,6|C<4>}	123.5460	0.000	1	123.5460	0.000	1	123.5460	0.000	1	123.5460	0.000	1	124.6975	4.740	40	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5]	C[5]	C[6]	4:3:3:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[5]-3:H-1:H-1:	C[6]-4:C[5]-3:C[6]-3:	C[5](C[5]C[5,6]HH)(C[5]C[5]H)(C[6]C[6]2)	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]C[6])(H)2	C[6](C[6]C[6]HH)(C[5]C[5]2)(C[6]C[6]H)	C[5](C[5]C[5,6]HH)(C[5]C[5]H)(C[6]C[6]2){1|C<3>,1|N<2>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]C[6])(H)2{1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[5]C[5]2)(C[6]C[6]H){3|C<4>,7|H<1>}	123.0545	0.538	2	123.0545	0.290	2	123.0545	0.290	2	123.0545	0.290	2	124.6975	4.740	40	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5]	C[5]	C[6]	4:4:3:	3:4:4:1:	4:3:3:	C[5]-4:C[5]-4:C[6]-3:	C[5]-3:C[5]-4:C-4:H-1:	C[6]-4:C[5]-3:C[6]-3:	C[5](C[5]C[5]CH)2(C[6]C[6]2)	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[5]C[5]2)(C[6]C[6]H)	C[5](C[5]C[5]CH)2(C[6]C[6]2){1|C<4>,2|C<3>,6|H<1>}	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CCHH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[5]C[5]2)(C[6]C[6]H){1|N<3>,4|C<4>,5|H<1>}	128.0340	0.164	2	128.0340	0.027	2	125.9335	5.902	4	125.9335	5.902	4	124.6975	4.740	40	128.2505	10.074	511
818	474	762	0:SP2_SP2_SP3	C[5]	C[5]	C[6]	4:4:3:	3:4:4:1:	4:3:3:	C[5]-4:C[5]-4:C[6]-3:	C[5]-3:C[5]-4:C-4:H-1:	C[6]-4:C[5]-3:C[6]-3:	C[5](C[5]C[5]CH)2(C[6]C[6]2)	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[5]C[5]2)(C[6]C[6]H)	C[5](C[5]C[5]CH)2(C[6]C[6]2){1|C<4>,2|C<3>,6|H<1>}	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[5]C[5]2)(C[6]C[6]H){1|N<3>,4|C<4>,5|H<1>}	123.8330	0.171	2	123.8330	0.029	2	125.9335	5.902	4	125.9335	5.902	4	124.6975	4.740	40	128.2505	10.074	511
818	474	762	6:SP2_SP2_SP3	C[5,6,6]	C[5,3x6]	C[6,6]	4:3:2:	4:4:3:3:	3:4:3:	C[5,3x6]-4:C[6,6]-3:S[5]-2:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:C[5]-3:	C[5,6,6]-3:C[3x6]-4:C[6a]-3:	C[5,6,6](C[5,3x6]C[5,6,6]2C[5])(C[6,6]C[3x6]C[6a])(S[5]C[5])	C[5,3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[5,6,6]C[6,6]S[5])(C[5]C[5]H)	C[6,6](C[5,6,6]C[5,3x6]S[5])(C[3x6]C[5,6,6]2H)(C[6a]C[6a]2)	C[5,6,6](C[5,3x6]C[5,6,6]2C[5])(C[6,6]C[3x6]C[6a])(S[5]C[5]){2|C<4>,4|C<3>,5|H<1>}	C[5,3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[5,6,6]C[6,6]S[5])(C[5]C[5]H){1|C<4>,2|N<3>,2|O<1>,3|C<3>,3|H<1>}	C[6,6](C[5,6,6]C[5,3x6]S[5])(C[3x6]C[5,6,6]2H)(C[6a]C[6a]2){2|C<4>,4|H<1>,6|C<3>}	117.0320	0.000	1	117.0320	0.000	1	117.0320	0.000	1	117.0320	0.000	1	114.8885	1.468	25	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6,6]	C[5,3x6]	C[6,6]	4:3:3:	3:3:3:2:	3:4:1:	C[5,3x6]-4:C[6,6]-3:C[5]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:S[5]-2:	C[5,6,6]-3:C[3x6]-4:H-1:	C[5,6,6](C[5,3x6]C[6,6,6a]2S[5])(C[6,6]C[3x6]H)(C[5]C[5]C)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(S[5]C[5])	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(H)	C[5,6,6](C[5,3x6]C[6,6,6a]2S[5])(C[6,6]C[3x6]H)(C[5]C[5]C){1|H<1>,5|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(S[5]C[5]){1|C<4>,3|H<1>,6|C<3>}	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(H){1|S<2>,6|C<3>}	114.3370	0.000	1	114.3370	0.000	1	114.3370	0.000	1	113.9335	0.326	2	114.8885	1.468	25	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6,6]	C[5,3x6]	C[6,6]	4:3:3:	3:3:3:2:	3:4:1:	C[5,3x6]-4:C[6,6]-3:C[5]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:Se[5]-2:	C[5,6,6]-3:C[3x6]-4:H-1:	C[5,6,6](C[5,3x6]C[6,6,6a]2Se[5])(C[6,6]C[3x6]H)(C[5]C[5]C)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(Se[5]C[5])	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(H)	C[5,6,6](C[5,3x6]C[6,6,6a]2Se[5])(C[6,6]C[3x6]H)(C[5]C[5]C){1|H<1>,5|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(Se[5]C[5]){1|C<4>,3|H<1>,6|C<3>}	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(H){1|Se<2>,6|C<3>}	113.5300	0.000	1	113.5300	0.000	1	113.5300	0.000	1	113.9335	0.326	2	114.8885	1.468	25	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6,6]	C[5,3x6]	C[6,6]	4:3:3:	3:3:3:2:	3:4:3:	C[5,3x6]-4:C[6,6]-3:C[5]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:S[5]-2:	C[5,6,6]-3:C[3x6]-4:C[6a]-3:	C[5,6,6](C[5,3x6]C[6,6,6a]2S[5])(C[6,6]C[3x6]C[6a])(C[5]C[5]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(S[5]C[5])	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]2)	C[5,6,6](C[5,3x6]C[6,6,6a]2S[5])(C[6,6]C[3x6]C[6a])(C[5]C[5]H){1|H<1>,7|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(S[5]C[5]){1|C<4>,3|H<1>,6|C<3>}	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]2){1|S<2>,3|H<1>,7|C<3>}	114.1292	0.302	8	114.1292	0.091	8	114.1292	0.091	8	114.1292	0.091	8	114.8885	1.468	25	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6,6]	C[5,3x6]	C[6,6]	4:3:3:	3:3:3:3:	3:4:3:	C[5,3x6]-4:C[6,6]-3:C[5]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:Se[5]-3:	C[5,6,6]-3:C[3x6]-4:C[6a]-3:	C[5,6,6](C[5,3x6]C[6,6,6a]2Se[5])(C[6,6]C[3x6]C[6a])(C[5]C[5]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(Se[5]C[5]O)	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]2)	C[5,6,6](C[5,3x6]C[6,6,6a]2Se[5])(C[6,6]C[3x6]C[6a])(C[5]C[5]H){1|H<1>,1|O<1>,7|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(Se[5]C[5]O){1|C<4>,3|H<1>,6|C<3>}	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]2){1|Se<3>,3|H<1>,7|C<3>}	114.3660	0.000	1	114.3660	0.000	1	114.3660	0.000	1	114.3660	0.000	1	114.8885	1.468	25	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6,6]	C[5,3x6]	C[6,6]	4:3:3:	3:3:3:3:	4:3:3:	C[5,3x6]-4:C[6,6]-3:C[5]-3:	C[6,6,6a]-3:C[5,6,6]-3:C[6,6]-3:Se[5]-3:	C[3x6]-4:C[5,6,6]-3:C[6a]-3:	C[5,6,6](C[5,3x6]C[6,6,6a]C[6,6]Se[5])(C[6,6]C[3x6]C[6a])(C[5]C[5]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]H)(Se[5]C[5]O)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[5,3x6]C[5])(C[6a]C[6a]2)	C[5,6,6](C[5,3x6]C[6,6,6a]C[6,6]Se[5])(C[6,6]C[3x6]C[6a])(C[5]C[5]H){1|O<1>,2|H<1>,6|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]H)(Se[5]C[5]O){1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[5,3x6]C[5])(C[6a]C[6a]2){1|Se<3>,4|H<1>,6|C<3>}	113.5020	0.000	1	113.5020	0.000	1	113.5020	0.000	1	113.5020	0.000	1	114.8885	1.468	25	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6,6]	C[5,3x6]	C[6,6]	4:3:3:	3:3:3:4:	4:3:3:	C[5,3x6]-4:C[6,6]-3:C[5]-3:	C[6,6,6a]-3:C[5,6,6]-3:C[3x6]-3:C[5]-4:	C[3x6]-4:C[5,6,6]-3:C-3:	C[5,6,6](C[5,3x6]C[6,6,6a]C[3x6]C[5])(C[6,6]C[3x6]C)(C[5]O[5]O)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[6,6]C[5])(C[3x6]C[3x6]C[6])(C[5]O[5]HH)	C[6,6](C[3x6]C[6,6,6a]C[3x6]H)(C[5,6,6]C[5,3x6]C[5])(COO)	C[5,6,6](C[5,3x6]C[6,6,6a]C[3x6]C[5])(C[6,6]C[3x6]C)(C[5]O[5]O){3|H<1>,4|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[6,6]C[5])(C[3x6]C[3x6]C[6])(C[5]O[5]HH){1|C<2>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[3x6]H)(C[5,6,6]C[5,3x6]C[5])(COO){1|C<2>,1|C<4>,1|O<1>,1|O<2>,3|C<3>}	115.7190	0.000	1	115.7190	0.000	1	115.7190	0.000	1	115.7190	0.000	1	114.8885	1.468	25	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6,6]	C[5,3x6]	C[6,6]	4:3:3:	3:3:4:3:	3:3:3:	C[5,3x6]-4:C[6,6]-3:N[5]-3:	C[5,6a]-3:C[5,6,6]-3:C[6,6]-4:C[6,6]-3:	C[5,6,6]-3:N[3x6]-3:C[6a]-3:	C[5,6,6](C[5,3x6]C[5,6a]C[6,6]2)(C[6,6]N[3x6]C[6a])(N[5]C[5,6a]C)	C[5,3x6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[6,6]N[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)	C[6,6](C[5,6,6]C[5,3x6]N[5])(N[3x6]C[6,6]2)(C[6a]C[6a]2)	C[5,6,6](C[5,3x6]C[5,6a]C[6,6]2)(C[6,6]N[3x6]C[6a])(N[5]C[5,6a]C){2|C<4>,2|H<1>,5|C<3>}	C[5,3x6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[6,6]N[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6,6](C[5,6,6]C[5,3x6]N[5])(N[3x6]C[6,6]2)(C[6a]C[6a]2){2|C<4>,5|C<3>,6|H<1>}	115.6210	0.000	1	115.6210	0.000	1	115.6210	0.000	1	115.6210	0.000	1	114.8885	1.468	25	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6,6]	C[5,3x6]	C[6,6]	4:3:3:	3:4:3:3:	4:3:1:	C[5,3x6]-4:C[6,6]-3:C[5]-3:	C[5,6,6]-3:C[3x6]-4:C[6,6]-3:C[5]-3:	C[3x6]-4:C[5,6,6]-3:Cl-1:	C[5,6,6](C[5,3x6]C[3x6]C[6,6]C[5])(C[6,6]C[3x6]Cl)(C[5]N[5]O)	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]Cl)(C[5]N[5]O)	C[6,6](C[3x6]C[3x6]C[6,6]Cl)(C[5,6,6]C[5,3x6]C[5])(Cl)	C[5,6,6](C[5,3x6]C[3x6]C[6,6]C[5])(C[6,6]C[3x6]Cl)(C[5]N[5]O){2|Cl<1>,1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]Cl)(C[5]N[5]O){2|Cl<1>,1|O<1>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]Cl)(C[5,6,6]C[5,3x6]C[5])(Cl){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	115.4035	0.074	2	115.4035	0.006	2	115.4035	0.006	2	115.4035	0.006	2	114.8885	1.468	25	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6,6]	C[5,3x6]	C[6,6]	4:3:3:	4:3:4:2:	3:4:1:	C[5,3x6]-4:C[6,6]-3:C[5]-3:	C[5,6,6]-4:C[5,6,6]-3:C[6,6]-4:O[6,6]-2:	C[5,6,6]-3:C[3x6]-4:H-1:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]O[6,6])(C[6,6]C[3x6]H)(C[5]O[5]O)	C[5,3x6](C[5,6,6]C[3x6]C[6,6]O[5])(C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]HH)(O[6,6]O[6,6])	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]O[6,6]H)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]O[6,6])(C[6,6]C[3x6]H)(C[5]O[5]O){1|O<2>,3|C<4>,3|H<1>}	C[5,3x6](C[5,6,6]C[3x6]C[6,6]O[5])(C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]HH)(O[6,6]O[6,6]){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]O[6,6]H)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	115.9870	0.000	1	115.9870	0.000	1	115.9870	0.000	1	115.9870	0.000	1	114.8885	1.468	25	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6,6]	C[5,3x6]	C[6,6]	4:3:4:	3:3:3:2:	4:3:3:	C[5,3x6]-4:C[6,6]-3:Si[5]-4:	C[6,6,6a]-3:C[5,6,6]-3:C[5,6a]-3:O[6,6]-2:	C[4x6]-4:C[5,6,6]-3:C[6a]-3:	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6a]O[6,6])(C[6,6]C[4x6]C[6a])(Si[5]C[5,6a]CC)	C[5,3x6](C[6,6,6a]C[3x6,6a]C[6a,6a])(C[5,6,6]C[6,6]Si[5])(C[5,6a]C[5,6a]C[6a])(O[6,6]O[6,6])	C[6,6](C[4x6]C[3x6,6a]C[6,6a]O[6,6])(C[5,6,6]C[5,3x6]Si[5])(C[6a]C[6a]2)	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6a]O[6,6])(C[6,6]C[4x6]C[6a])(Si[5]C[5,6a]CC){1|O<2>,7|C<3>}	C[5,3x6](C[6,6,6a]C[3x6,6a]C[6a,6a])(C[5,6,6]C[6,6]Si[5])(C[5,6a]C[5,6a]C[6a])(O[6,6]O[6,6]){1|H<1>,3|C<4>,6|C<3>}	C[6,6](C[4x6]C[3x6,6a]C[6,6a]O[6,6])(C[5,6,6]C[5,3x6]Si[5])(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,8|C<3>}	112.1840	0.000	1	112.1840	0.000	1	112.1840	0.000	1	112.1840	0.000	1	114.8885	1.468	25	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6,6]	C[5,3x6]	C[6,6]	4:3:4:	3:3:3:3:	3:4:1:	C[5,3x6]-4:C[6,6]-3:C[5]-4:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C[5]-3:	C[5,6,6]-3:C[3x6]-4:H-1:	C[5,6,6](C[5,3x6]C[6,6,6a]2C[5])(C[6,6]C[3x6]H)(C[5]O[5]HH)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(C[5]O[5]O)	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2C)(H)	C[5,6,6](C[5,3x6]C[6,6,6a]2C[5])(C[6,6]C[3x6]H)(C[5]O[5]HH){1|C<4>,1|O<1>,4|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(C[5]O[5]O){1|C<4>,4|C<3>,5|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2C)(H){1|O<2>,2|H<1>,5|C<3>}	115.5550	0.000	1	115.5550	0.000	1	115.4530	0.021	2	115.4530	0.021	2	114.8885	1.468	25	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6,6]	C[5,3x6]	C[6,6]	4:3:4:	3:3:3:3:	3:4:1:	C[5,3x6]-4:C[6,6]-3:C[5]-4:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C[5]-3:	C[5,6,6]-3:C[3x6]-4:H-1:	C[5,6,6](C[5,3x6]C[6,6,6a]2C[5])(C[6,6]C[3x6]H)(C[5]O[5]HH)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(C[5]O[5]O)	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(H)	C[5,6,6](C[5,3x6]C[6,6,6a]2C[5])(C[6,6]C[3x6]H)(C[5]O[5]HH){1|H<1>,1|O<1>,4|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(C[5]O[5]O){1|C<4>,4|C<3>,5|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(H){1|O<2>,2|H<1>,5|C<3>}	115.3510	0.000	1	115.3510	0.000	1	115.4530	0.021	2	115.4530	0.021	2	114.8885	1.468	25	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6,6]	C[5,3x6]	C[6,6]	4:3:4:	3:3:3:4:	4:3:1:	C[5,3x6]-4:C[6,6]-3:C[5]-4:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C[5]-4:	C[3x6]-4:C[5,6,6]-3:H-1:	C[5,6,6](C[5,3x6]C[6,6,6a]2C[5])(C[6,6]C[3x6]H)(C[5]S[5]HH)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(C[5]S[5]HH)	C[6,6](C[3x6]C[6,6,6a]2C[6a])(C[5,6,6]C[5,3x6]C[5])(H)	C[5,6,6](C[5,3x6]C[6,6,6a]2C[5])(C[6,6]C[3x6]H)(C[5]S[5]HH){2|H<1>,5|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(C[5]S[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[6,6](C[3x6]C[6,6,6a]2C[6a])(C[5,6,6]C[5,3x6]C[5])(H){1|C<4>,1|S<2>,2|H<1>,6|C<3>}	115.2220	0.000	1	115.2220	0.000	1	115.2220	0.000	1	115.2220	0.000	1	114.8885	1.468	25	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6,6]	C[5,3x6]	C[6,6]	4:3:4:	3:4:3:3:	4:3:3:	C[5,3x6]-4:C[6,6]-3:Si[5]-4:	C[6,6,6a]-3:C[5x6]-4:C[5,6,6]-3:C[5,6a]-3:	C[4x6]-4:C[5,6,6]-3:C[6a]-3:	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6a]C[5x6])(C[6,6]C[4x6]C[6a])(Si[5]C[5,6a]CC)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5x6]C[6,6,6a]2C[5x6])(C[5,6,6]C[6,6]Si[5])(C[5,6a]C[5,6a]C[6a])	C[6,6](C[4x6]C[6,6,6a]C[6,6a]C[5x6])(C[5,6,6]C[5,3x6]Si[5])(C[6a]C[6a]2)	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6a]C[5x6])(C[6,6]C[4x6]C[6a])(Si[5]C[5,6a]CC){10|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5x6]C[6,6,6a]2C[5x6])(C[5,6,6]C[6,6]Si[5])(C[5,6a]C[5,6a]C[6a]){10|C<3>,2|H<1>,3|C<4>}	C[6,6](C[4x6]C[6,6,6a]C[6,6a]C[5x6])(C[5,6,6]C[5,3x6]Si[5])(C[6a]C[6a]2){2|H<1>,3|C<4>,9|C<3>}	116.5390	0.000	1	116.5390	0.000	1	116.5390	0.000	1	116.5390	0.000	1	114.8885	1.468	25	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6,6]	C[5,3x6]	C[6,6]	4:3:4:	3:4:4:4:	3:4:1:	C[5,3x6]-4:C[6,6]-3:C[5]-4:	C[5,6,6]-3:C[5,6]-4:C[6,6]-4:C[6,6]-4:	C[5,6,6]-3:C[3x6]-4:H-1:	C[5,6,6](C[5,3x6]C[5,6]C[6,6]2)(C[6,6]C[3x6]H)(C[5]C[5]HO)	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[5,6]C[5]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HN)	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]2H)(H)	C[5,6,6](C[5,3x6]C[5,6]C[6,6]2)(C[6,6]C[3x6]H)(C[5]C[5]HO){1|N<3>,4|C<4>,6|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[5,6]C[5]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HN){11|H<1>,2|O<2>,3|C<4>}	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]2H)(H){1|O<2>,4|C<4>,5|H<1>}	116.1630	0.000	1	116.1630	0.000	1	116.1630	0.000	1	116.1630	0.000	1	114.8885	1.468	25	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6,6]	C[5,3x6]	C[6,6]	4:3:4:	3:4:4:4:	3:4:4:	C[5,3x6]-4:C[6,6]-3:C[5]-4:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5,6,6]-3:C[3x6]-4:C-4:	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]C)(C[5]N[5]HH)	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]HH)2(C[5]N[5]HH)	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]2H)(CH3)	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]C)(C[5]N[5]HH){1|S<4>,2|C<4>,7|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]HH)2(C[5]N[5]HH){1|S<4>,2|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]2H)(CH3){1|N<3>,3|C<4>,6|H<1>}	117.2630	0.000	1	117.2630	0.000	1	117.2630	0.000	1	117.2630	0.000	1	114.8885	1.468	25	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6,6]	C[5,3x6]	C[6]	4:4:3:	4:3:4:3:	3:2:2:	C[5,3x6]-4:C[5,5,6]-4:C[6]-3:	C[5,5,6,6]-4:C[5,6,6]-3:C[6,6]-4:C-3:	C[5,6,6]-3:O[6]-2:O-2:	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]C)(C[5,5,6]P[5,5,6]C[5,6]H)(C[6]O[6]O)	C[5,3x6](C[5,5,6,6]P[5,5,6]C[5,6]H)(C[5,6,6]C[5,5,6]C[6])(C[6,6]C[6]P[6]H)(COO)	C[6](C[5,6,6]C[5,3x6]C[5,5,6])(O[6]P[6])(OC)	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]C)(C[5,5,6]P[5,5,6]C[5,6]H)(C[6]O[6]O){1|C<3>,1|P<4>,1|W<6>,2|H<1>,3|C<4>}	C[5,3x6](C[5,5,6,6]P[5,5,6]C[5,6]H)(C[5,6,6]C[5,5,6]C[6])(C[6,6]C[6]P[6]H)(COO){2|C<3>,2|H<1>,2|O<2>,2|W<6>,3|C<4>}	C[6](C[5,6,6]C[5,3x6]C[5,5,6])(O[6]P[6])(OC){1|H<1>,1|P<4>,1|W<6>,2|C<3>,3|C<4>}	120.2350	0.000	1	120.2350	0.000	1	120.2350	0.000	1	120.2350	0.000	1	120.2350	0.000	1	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6,6]	C[5,5,6,6]	C[6]	4:3:3:	3:3:4:3:	3:3:1:	C[5,5,6,6]-4:C[5,6]-3:C[6]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,5]-4:C[6]-3:	C[5,6,6]-3:C[6]-3:H-1:	C[5,6,6](C[5,5,6,6]C[5,6,6a]C[5,5]C[6])(C[5,6]C[5,5,6]C[6a])(C[6]C[6]H)	C[5,5,6,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6]C[6])(C[5,5]C[5,5,6]HH)(C[6]C[6]H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6])(C[6]C[6]H)(H)	C[5,6,6](C[5,5,6,6]C[5,6,6a]C[5,5]C[6])(C[5,6]C[5,5,6]C[6a])(C[6]C[6]H){5|C<3>,5|H<1>}	C[5,5,6,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6]C[6])(C[5,5]C[5,5,6]HH)(C[6]C[6]H){4|C<3>,4|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6])(C[6]C[6]H)(H){1|H<1>,2|C<4>,3|C<3>}	120.0550	0.000	1	120.0550	0.000	1	120.0550	0.000	1	120.0550	0.000	1	122.9023	1.434	11	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6,6]	C[5,5,6,6]	C[6]	4:4:3:	3:2:3:4:	3:3:1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:	C[5,6,6]-3:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,6,6]-3:N[6]-3:H-1:	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]N[6]H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,5,6,6]C[5,6])(N[6]C[6]S)(H)	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]N[6]H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]C[6]HH){1|N<3>,7|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6])(N[6]C[6]S)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	123.3890	0.000	1	123.3890	0.000	1	123.3890	0.000	1	123.3890	0.000	1	122.9023	1.434	11	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6,6]	C[5,5,6,6]	C[6]	4:4:3:	3:2:3:4:	3:4:1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:	C[5,6,6]-3:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,6,6]-3:C[6]-4:H-1:	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH)	C[6](C[5,6,6]C[5,5,6,6]C[5,6])(C[6]N[6]HH)(H)	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]H){1|C<3>,1|N<3>,6|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH){1|C<4>,1|S<4>,5|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6])(C[6]N[6]HH)(H){1|C<3>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	121.8680	0.229	2	121.8680	0.052	2	121.8680	0.052	2	121.8680	0.052	2	122.9023	1.434	11	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6,6]	C[5,5,6,6]	C[6]	4:4:3:	3:3:4:4:	3:4:3:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-3:	C[5,6,6]-3:N[5,6,6]-3:C[6,6]-4:C[5,5,6]-4:	C[5,6,6]-3:C[6]-4:C-3:	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6,6]C[6,6])(C[5,6,6]C[3x6]C[5,6]O)(C[6]C[6]C)	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6])(N[5,6,6]C[5,3x6]C[6])(C[6,6]C[6,6]C[6]H)(C[5,5,6]C[5,6]2H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[6]C[6,6]HO)(COO)	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6,6]C[6,6])(C[5,6,6]C[3x6]C[5,6]O)(C[6]C[6]C){1|O<2>,6|C<4>,6|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6])(N[5,6,6]C[5,3x6]C[6])(C[6,6]C[6,6]C[6]H)(C[5,5,6]C[5,6]2H){1|C<3>,1|O<2>,6|C<4>,9|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[6]C[6,6]HO)(COO){1|H<1>,1|N<3>,1|O<2>,5|C<4>}	123.7097	0.498	3	123.7097	0.248	3	123.7097	0.248	3	123.7097	0.248	3	122.9023	1.434	11	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6,6]	C[5,5,6,6]	C[6]	4:4:3:	3:4:2:4:	3:4:1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-3:	C[5,6,6]-3:C[5,6]-4:O[5,5]-2:C[5,6]-4:	C[5,6,6]-3:C[6]-4:H-1:	C[5,6,6](C[5,5,6,6]C[5,6]2O[5,5])(C[5,6,6]C[5,5,6,6]C[6]C)(C[6]C[6]H)	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6])(C[5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]HH)	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[6]C[5,6]HH)(H)	C[5,6,6](C[5,5,6,6]C[5,6]2O[5,5])(C[5,6,6]C[5,5,6,6]C[6]C)(C[6]C[6]H){1|C<3>,4|C<4>,6|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6])(C[5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]HH){1|C<3>,5|H<1>,6|C<4>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[6]C[5,6]HH)(H){1|C<3>,1|O<2>,6|C<4>}	123.8990	0.000	1	123.8990	0.000	1	123.8990	0.000	1	123.8990	0.000	1	122.9023	1.434	11	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6,6]	C[5,5,6,6]	C[6]	4:4:3:	4:3:4:4:	3:3:3:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-3:	N[5,6,6]-4:C[5,6,6]-3:C[6,6]-4:C[5,5,6]-4:	C[5,6,6]-3:C[6]-3:C-3:	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6,6]C[6,6])(C[5,6,6]C[3x6]C[5,6]O)(C[6]C[6]C)	C[5,5,6,6](N[5,6,6]C[5,3x6]C[6]H)(C[5,6,6]C[5,6,6]C[6])(C[6,6]C[6,6]C[6]H)(C[5,5,6]C[5,6]2H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[6]C[6,6]O)(COO)	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6,6]C[6,6])(C[5,6,6]C[3x6]C[5,6]O)(C[6]C[6]C){1|O<1>,6|C<4>,6|H<1>}	C[5,5,6,6](N[5,6,6]C[5,3x6]C[6]H)(C[5,6,6]C[5,6,6]C[6])(C[6,6]C[6,6]C[6]H)(C[5,5,6]C[5,6]2H){1|O<2>,2|C<3>,5|C<4>,9|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[6]C[6,6]O)(COO){1|H<1>,1|N<4>,1|O<2>,5|C<4>}	123.2370	0.000	1	123.2370	0.000	1	123.2370	0.000	1	123.2370	0.000	1	122.9023	1.434	11	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6,6]	C[5,5,6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:3:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-3:	N[5,6,6]-4:C[5,6,6]-3:C[6,6]-4:C[5,5,6]-4:	C[5,6,6]-3:C[6]-4:C-3:	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6,6]C[6,6])(C[5,6,6]C[3x6]C[5,6]O)(C[6]C[6]C)	C[5,5,6,6](N[5,6,6]C[5,3x6]C[6]H)(C[5,6,6]C[5,6,6]C[6])(C[6,6]C[6,6]C[6]H)(C[5,5,6]C[5,6]2H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[6]C[6,6]HO)(COO)	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6,6]C[6,6])(C[5,6,6]C[3x6]C[5,6]O)(C[6]C[6]C){1|O<2>,6|C<4>,7|H<1>}	C[5,5,6,6](N[5,6,6]C[5,3x6]C[6]H)(C[5,6,6]C[5,6,6]C[6])(C[6,6]C[6,6]C[6]H)(C[5,5,6]C[5,6]2H){1|C<3>,1|O<2>,6|C<4>,9|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[6]C[6,6]HO)(COO){1|H<1>,1|N<4>,1|O<2>,5|C<4>}	123.2400	0.150	2	123.2400	0.022	2	123.2400	0.022	2	123.2400	0.022	2	122.9023	1.434	11	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6,6]	C[5,5,6]	C[3x6]	4:3:3:	4:4:3:1:	3:3:4:	C[5,5,6]-4:C[5,6,6]-3:C[3x6]-3:	C[5,5,6]-4:C[5,6,6]-4:C[5,6,6]-3:Cl-1:	C[5,6,6]-3:C[5,6,6]-3:C[3x6]-4:	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)	C[3x6](C[5,6,6]C[5,5,6]C[5,6,6])2(C[3x6]C[6,6,6a]2Cl)	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>}	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>}	C[3x6](C[5,6,6]C[5,5,6]C[5,6,6])2(C[3x6]C[6,6,6a]2Cl){3|Cl<1>,4|C<3>,5|C<4>}	121.5830	0.000	1	121.5830	0.000	1	121.5830	0.000	1	121.5830	0.000	1	121.9645	0.291	2	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6,6]	C[5,5,6]	C[3x6]	4:3:4:	3:3:4:1:	3:3:4:	C[5,5,6]-4:C[3x6]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,5,6]-4:Cl-1:	C[5,6,6]-3:C[5,6,6]-3:C[3x6]-4:	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)	C[3x6](C[5,6,6]C[5,5,6]C[5,6,6])2(C[3x6]C[6,6,6a]2Cl)	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>}	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>}	C[3x6](C[5,6,6]C[5,5,6]C[5,6,6])2(C[3x6]C[6,6,6a]2Cl){3|Cl<1>,4|C<3>,5|C<4>}	122.3460	0.000	1	122.3460	0.000	1	122.3460	0.000	1	122.3460	0.000	1	121.9645	0.291	2	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6,6]	C[5,5,6]	C[6,6]	4:3:3:	4:3:3:4:	3:4:4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6a]-3:C[5]-4:	C[5,6,6]-3:C[6,6]-4:C[6]-4:	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(C[6,6]C[6,6]C[6])	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6,6]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[6,6](C[5,6,6]C[5,5,6]N[5,6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(C[6,6]C[6,6]C[6]){1|N<3>,1|O<1>,2|C<3>,4|C<4>,6|H<1>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6,6]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){3|C<3>,4|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH){1|O<2>,3|C<3>,4|C<4>,4|H<1>}	127.1950	0.000	1	127.1950	0.000	1	127.1950	0.000	1	127.1950	0.000	1	125.8295	0.911	4	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6,6]	C[5,5,6]	C[6,6]	4:4:3:	3:4:2:4:	3:4:3:	C[5,5,6]-4:C[5,6]-4:C[6,6]-3:	C[5,6,6]-3:C[5,6]-4:O[5]-2:C[5]-4:	C[5,6,6]-3:C[6]-4:C[6]-3:	C[5,6,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6]C[5]C[6]C)(C[6,6]C[6]2)	C[5,5,6](C[5,6,6]C[5,6]C[6,6])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[5]C[5]CC)	C[6,6](C[5,6,6]C[5,5,6]C[5,6])(C[6]C[6]CH)(C[6]O[6]O)	C[5,6,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6]C[5]C[6]C)(C[6,6]C[6]2){1|O<1>,1|O<2>,2|C<3>,4|C<4>,6|H<1>}	C[5,5,6](C[5,6,6]C[5,6]C[6,6])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[5]C[5]CC){3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,5,6]C[5,6])(C[6]C[6]CH)(C[6]O[6]O){1|O<2>,2|H<1>,5|C<4>}	125.5690	0.144	2	125.5690	0.021	2	125.5690	0.021	2	125.5690	0.021	2	125.8295	0.911	4	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6,6]	C[5,5,6]	C[6,6]	4:4:3:	3:4:2:4:	3:4:4:	C[5,5,6]-4:C[5,6]-4:C[6,6]-3:	C[5,6,6]-3:C[5,6]-4:O[5]-2:C[5]-4:	C[5,6,6]-3:C[6]-4:C[6]-4:	C[5,6,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6]C[5]C[6]C)(C[6,6]C[6]2)	C[5,5,6](C[5,6,6]C[5,6]C[6,6])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[5]C[5]CC)	C[6,6](C[5,6,6]C[5,5,6]C[5,6])(C[6]C[6]CH)(C[6]O[6]HO)	C[5,6,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6]C[5]C[6]C)(C[6,6]C[6]2){2|C<3>,3|O<2>,4|C<4>,6|H<1>}	C[5,5,6](C[5,6,6]C[5,6]C[6,6])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[5]C[5]CC){2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,5,6]C[5,6])(C[6]C[6]CH)(C[6]O[6]HO){1|O<2>,2|H<1>,5|C<4>}	124.9850	0.000	1	124.9850	0.000	1	124.9850	0.000	1	124.9850	0.000	1	125.8295	0.911	4	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[3x6]	4:3:3:	3:3:3:4:	3:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[3x6]-3:	C[6,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2)(C[3x6]C[6,6,6a]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]C[3x6])(C[5,6,6]C[5,6,6]2)(CF3)	C[3x6](C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2)(C[3x6]C[6,6,6a]2){2|C<4>,7|C<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]C[3x6])(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	124.2630	0.000	1	124.2630	0.000	1	124.2630	0.000	1	124.2630	0.000	1	124.9310	0.922	6	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[3x6]	4:3:3:	3:3:3:4:	4:3:3:	C[5,6,6]-4:C[3x6]-3:C[5,6,6]-3:	C[6,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[3x6]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6]2)(CF3)	C[3x6](C[5,6,6]C[5,6,6a]2C)(C[6,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[3x6]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	C[5,6,6](C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6]2)(CF3){4|C<3>,4|C<4>}	C[3x6](C[5,6,6]C[5,6,6a]2C)(C[6,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	125.9570	0.000	1	125.9570	0.000	1	125.8135	0.041	2	125.8135	0.041	2	124.9310	0.922	6	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[3x6]	4:3:3:	3:3:3:4:	4:3:3:	C[5,6,6]-4:C[3x6]-3:C[5,6,6]-3:	C[6,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[3x6]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6]2)(CF3)	C[3x6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[3x6]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	C[5,6,6](C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6]2)(CF3){4|C<3>,4|C<4>}	C[3x6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	125.6700	0.000	1	125.6700	0.000	1	125.8135	0.041	2	125.8135	0.041	2	124.9310	0.922	6	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[3x6]	4:3:4:	4:4:3:1:	3:3:4:	C[5,5,6]-4:C[3x6]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:Cl-1:	C[5,6,6]-3:C[5,6,6]-3:C[3x6]-4:	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)	C[3x6](C[5,6,6]C[5,5,6]C[5,6,6])2(C[3x6]C[6,6,6a]2Cl)	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>}	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>}	C[3x6](C[5,6,6]C[5,5,6]C[5,6,6])2(C[3x6]C[6,6,6a]2Cl){3|Cl<1>,4|C<3>,5|C<4>}	125.7330	0.000	1	125.7330	0.000	1	125.7330	0.000	1	125.7330	0.000	1	124.9310	0.922	6	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[3x6]	4:4:3:	3:3:3:4:	4:3:3:	C[5,6,6]-4:C[5,6,6]-4:C[3x6]-3:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6]-3:C[3x6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[3x6]C[5,6,6]C[3x6])	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[3x6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2)(C[3x6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[3x6]C[5,6,6]C[3x6]){2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,6|C<3>}	C[3x6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2)(C[3x6]C[5,6,6]2){5|C<4>,7|C<3>}	124.2250	0.000	1	124.2250	0.000	1	124.2250	0.000	1	123.9815	0.119	2	124.9310	0.922	6	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[3x6]	4:4:3:	3:3:3:4:	4:3:3:	C[5,6,6]-4:C[5,6,6]-4:C[3x6]-3:	C[6,6,6a]-3:C[5,6,6]-3:C[5,6,6a]-3:C-4:	C[5,6,6]-4:C[5,6,6]-3:C[3x6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[3x6]C[5,6,6]C[3x6])	C[5,6,6](C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6a]C[5,6,6a]2)(CF3)	C[3x6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2)(C[3x6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[3x6]C[5,6,6]C[3x6]){2|C<4>,7|C<3>}	C[5,6,6](C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6a]C[5,6,6a]2)(CF3){3|C<4>,6|C<3>}	C[3x6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2)(C[3x6]C[5,6,6]2){5|C<4>,7|C<3>}	123.7380	0.000	1	123.7380	0.000	1	123.7380	0.000	1	123.9815	0.119	2	124.9310	0.922	6	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[6]	4:4:3:	3:4:3:2:	3:3:2:	C[5,6,6]-4:C[5,6,6]-4:C[6]-3:	C[5,6,6]-3:C[6]-4:C[6]-3:O[5]-2:	C[5,6,6]-3:C[6]-3:O-2:	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6,6]C[6]2O[5])(C[6]C[6]O)	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]2)(C[6]C[6]O)(OH)	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6,6]C[6]2O[5])(C[6]C[6]O){1|C<3>,1|O<1>,3|C<4>,8|H<1>}	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]2)(C[6]C[6]O)(OH){1|C<3>,1|O<2>,5|C<4>}	121.2660	0.000	1	121.2660	0.000	1	121.2660	0.000	1	121.2660	0.000	1	122.7765	3.977	10	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[6]	4:4:3:	3:4:4:4:	3:3:1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:	C[5,6,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-3:C[6]-3:H-1:	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]H)(C[6]C[6]H)	C[5,6,6](C[5,6,6]C[5,6]C[6])(C[6,6]C[6,6]C[6]H)(C[5]O[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]C[5,6])(C[6]C[6]O)(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]H)(C[6]C[6]H){1|O<1>,3|C<4>,7|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6])(C[6,6]C[6,6]C[6]H)(C[5]O[5]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6])(C[6]C[6]O)(H){1|O<2>,3|H<1>,4|C<4>}	125.5280	0.895	2	125.5280	0.801	2	125.4540	0.417	3	125.4540	0.417	3	122.7765	3.977	10	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[6]	4:4:3:	3:4:4:4:	3:3:1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:	C[5,6,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-3:C[6]-3:H-1:	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]S[5]H)(C[6]C[6]H)	C[5,6,6](C[5,6,6]C[5,6]C[6])(C[6,6]C[6,6]C[6]H)(C[5]S[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]C[5,6])(C[6]C[6]O)(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]S[5]H)(C[6]C[6]H){1|O<1>,3|C<4>,7|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6])(C[6,6]C[6,6]C[6]H)(C[5]S[5]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6])(C[6]C[6]O)(H){1|S<2>,3|H<1>,4|C<4>}	125.3060	0.000	1	125.3060	0.000	1	125.4540	0.417	3	125.4540	0.417	3	122.7765	3.977	10	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:	C[5,5,3x6]-4:C[5,6,6]-3:C[6]-4:H-1:	C[5,6,6]-3:C[4,6]-4:H-1:	C[5,6,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,5,3x6]C[6]H)(C[6]C[4,6]H)	C[5,6,6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,6,6]C[5,5,6]C[6])(C[6]C[4,6]HH)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[4,6]C[4,6]C[4]H)(H)	C[5,6,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,5,3x6]C[6]H)(C[6]C[4,6]H){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	C[5,6,6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,6,6]C[5,5,6]C[6])(C[6]C[4,6]HH)(H){1|C<3>,1|N<3>,2|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[4,6]C[4,6]C[4]H)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	120.2810	0.000	1	120.2810	0.000	1	120.2810	0.000	1	121.1247	0.618	3	122.7765	3.977	10	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:	C[5,5,6]-4:C[5,6,6]-3:C[5,6]-4:H-1:	C[5,6,6]-3:C[6]-4:H-1:	C[5,6,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)	C[5,6,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6])(C[5,6]C[5,6]C[5]H)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[5,6]HH)(H)	C[5,6,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[5,6]H)(C[6]C[6]H){2|C<3>,2|C<4>,5|H<1>}	C[5,6,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6])(C[5,6]C[5,6]C[5]H)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[5,6]HH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	121.5465	0.409	2	121.5465	0.168	2	121.5465	0.168	2	121.1247	0.618	3	122.7765	3.977	10	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[6]	4:4:3:	4:3:4:2:	3:4:1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:	C[5,5,6]-4:C[5,6,6]-3:C[6]-4:C-2:	C[5,6,6]-3:C[6]-4:H-1:	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[6]C)(C[6]C[6]H)	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[6])(C[6]C[6]HH)(CN)	C[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]HH)(H)	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[6]C)(C[6]C[6]H){1|C<4>,4|H<1>,5|C<3>}	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[6])(C[6]C[6]HH)(CN){1|C<4>,3|H<1>,5|C<3>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]HH)(H){1|C<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	122.2543	0.683	3	122.2543	0.467	3	122.2543	0.467	3	122.2543	0.467	3	122.7765	3.977	10	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6,6]	C[5,6]	C[6,6]	3:4:3:	3:4:2:1:	3:4:4:	C[5,6,6a]-3:C[5,6]-4:C[6,6]-3:	C[5,6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6,6]-3:C[6]-4:C[6]-4:	C[5,6,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2)	C[5,6](C[5,6,6]C[5,6,6a]C[6,6])(C[5,6]C[6]O[5]2)(O[5]C[5,6a])(H)	C[6,6](C[5,6,6]C[5,6,6a]C[5,6])(C[6]C[6]HH)(C[6]C[6]HN)	C[5,6,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2){1|N<3>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6,6]C[5,6,6a]C[6,6])(C[5,6]C[6]O[5]2)(O[5]C[5,6a])(H){2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6,6a]C[5,6])(C[6]C[6]HH)(C[6]C[6]HN){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	128.5875	0.065	4	128.5875	0.004	4	128.5875	0.004	4	128.5875	0.004	4	125.7583	7.549	10	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6,6]	C[5,6]	C[6,6]	3:4:4:	3:4:4:2:	4:3:3:	C[6,6]-3:C[5,6]-4:C[5,6]-4:	C[5,6,6]-3:C[3,5]-4:C[6]-4:O-2:	C[5,6,6]-4:C[5,6,6]-3:C[6]-3:	C[5,6,6](C[6,6]C[5,6,6]C[6])(C[5,6]C[3,5]C[6]C)(C[5,6]C[3,5]C[6]O)	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[3,5]C[3,5]C[3]H)(C[6]C[6,6]HH)(OH)	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)	C[5,6,6](C[6,6]C[5,6,6]C[6])(C[5,6]C[3,5]C[6]C)(C[5,6]C[3,5]C[6]O){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[3,5]C[3,5]C[3]H)(C[6]C[6,6]HH)(OH){1|C<3>,4|C<4>,4|H<1>}	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>}	122.4650	0.000	1	122.4650	0.000	1	122.4650	0.000	1	122.4650	0.000	1	125.7583	7.549	10	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6,6]	C[5,6]	C[6,6]	3:4:4:	3:4:4:4:	4:3:3:	C[6,6]-3:C[5,6]-4:C[5,6]-4:	C[5,6,6]-3:C[3,5]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5,6,6]-3:C[6]-3:	C[5,6,6](C[6,6]C[5,6,6]C[6])(C[5,6]C[3,5]C[6]C)(C[5,6]C[3,5]C[6]O)	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[3,5]C[3,5]C[3]H)(C[6]C[6]HH)(CH3)	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)	C[5,6,6](C[6,6]C[5,6,6]C[6])(C[5,6]C[3,5]C[6]C)(C[5,6]C[3,5]C[6]O){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[3,5]C[3,5]C[3]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	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>}	121.7300	0.000	1	121.7300	0.000	1	121.7300	0.000	1	121.7300	0.000	1	125.7583	7.549	10	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6,6]	C[5,6]	C[6,6]	4:3:3:	3:4:4:4:	3:4:4:	C[5,6]-4:C[5,6]-3:C[6,6]-3:	C[5,6,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6,6]-3:C[6]-4:C[6]-4:	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6])(C[6,6]C[6]2)	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]N[6]HH)(CH3)	C[6,6](C[5,6,6]C[5,6]2)(C[6]C[6]HH)(C[6]N[6]HH)	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6])(C[6,6]C[6]2){11|H<1>,1|C<4>,1|N<3>}	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]N[6]HH)(CH3){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,6]2)(C[6]C[6]HH)(C[6]N[6]HH){1|C<3>,1|S<4>,2|H<1>,4|C<4>}	126.0780	0.000	1	126.0780	0.000	1	126.0780	0.000	1	126.0780	0.000	1	125.7583	7.549	10	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6,6]	C[5,6]	C[6,6]	4:4:3:	3:4:4:4:	3:4:3:	C[5,5,6]-4:C[5,6]-4:C[6,6]-3:	C[5,6,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6,6]-3:C[6]-4:C[6]-3:	C[5,6,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6]C[5]C[6]C)(C[6,6]C[6]2)	C[5,6](C[5,6,6]C[5,5,6]C[6,6])(C[5]C[5]HH)(C[6]O[6]HH)(CH3)	C[6,6](C[5,6,6]C[5,5,6]C[5,6])(C[6]C[6]CH)(C[6]O[6]O)	C[5,6,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6]C[5]C[6]C)(C[6,6]C[6]2){1|O<1>,1|O<2>,2|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,5,6]C[6,6])(C[5]C[5]HH)(C[6]O[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>}	C[6,6](C[5,6,6]C[5,5,6]C[5,6])(C[6]C[6]CH)(C[6]O[6]O){1|O<2>,2|H<1>,5|C<4>}	123.6795	0.262	2	123.6795	0.069	2	123.6795	0.069	2	123.6795	0.069	2	125.7583	7.549	10	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6,6]	C[5,6]	C[6,6]	4:4:3:	3:4:4:4:	3:4:4:	C[5,5,6]-4:C[5,6]-4:C[6,6]-3:	C[5,6,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6,6]-3:C[6]-4:C[6]-4:	C[5,6,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6]C[5]C[6]C)(C[6,6]C[6]2)	C[5,6](C[5,6,6]C[5,5,6]C[6,6])(C[5]C[5]HH)(C[6]O[6]HO)(CH3)	C[6,6](C[5,6,6]C[5,5,6]C[5,6])(C[6]C[6]CH)(C[6]O[6]HO)	C[5,6,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6]C[5]C[6]C)(C[6,6]C[6]2){2|C<3>,3|O<2>,4|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,5,6]C[6,6])(C[5]C[5]HH)(C[6]O[6]HO)(CH3){1|O<2>,5|C<4>}	C[6,6](C[5,6,6]C[5,5,6]C[5,6])(C[6]C[6]CH)(C[6]O[6]HO){1|O<2>,2|H<1>,5|C<4>}	125.6010	0.000	1	125.6010	0.000	1	125.6010	0.000	1	125.6010	0.000	1	125.7583	7.549	10	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[3x5,6]	C[6]	4:3:2:	4:3:4:2:	3:3:4:	C[3x5,6]-4:C[6]-3:O[5]-2:	C[3x5,6]-4:C[5,6]-3:C[5,5]-4:O[5]-2:	C[5,6]-3:C[6]-3:C-4:	C[5,6](C[3x5,6]C[3x5,6]C[5,5]O[5])(C[6]C[6]C)(O[5]C[5])	C[3x5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[6]O[5])(C[5,5]C[5]2H)(O[5]C[5,6])	C[6](C[5,6]C[3x5,6]O[5])(C[6]C[5,6]O)(CCCH)	C[5,6](C[3x5,6]C[3x5,6]C[5,5]O[5])(C[6]C[6]C)(O[5]C[5]){1|H<1>,1|O<1>,7|C<4>}	C[3x5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[6]O[5])(C[5,5]C[5]2H)(O[5]C[5,6]){1|C<3>,1|O<2>,4|H<1>,8|C<4>}	C[6](C[5,6]C[3x5,6]O[5])(C[6]C[5,6]O)(CCCH){1|O<2>,5|C<4>}	126.1370	0.000	1	126.1370	0.000	1	126.1370	0.000	1	126.1370	0.000	1	124.3105	6.672	2	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[3x5,6]	C[6]	4:3:3:	4:4:3:3:	3:4:4:	C[3x5,6]-4:C[5]-3:C[6]-3:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C[5,5]-3:	C[5,6]-3:C[6]-4:C-4:	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[5]C[5]O)(C[6]C[6]C)	C[3x5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[5,5]C[5]2)	C[6](C[5,6]C[3x5,6]C[5])(C[6]C[6]HH)(CH3)	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[5]C[5]O)(C[6]C[6]C){1|Si<4>,1|O<2>,4|C<4>,4|H<1>}	C[3x5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[5,5]C[5]2){1|Si<4>,1|O<1>,2|C<4>,8|H<1>}	C[6](C[5,6]C[3x5,6]C[5])(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	122.4840	0.000	1	122.4840	0.000	1	122.4840	0.000	1	122.4840	0.000	1	124.3105	6.672	2	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,3x6]	C[6]	4:3:2:	4:4:3:4:	3:3:1:	C[5,3x6]-4:C[6]-3:O[5]-2:	C[3x6]-4:C[3x6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,3x6]C[3x6]2C[5])(C[6]C[6]H)(O[5]C[5])	C[5,3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(C[5,6]C[6]O[5])(C[5]C[5]HH)	C[6](C[5,6]C[5,3x6]O[5])(C[6]C[6]O)(H)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[6]C[6]H)(O[5]C[5]){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[5,3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(C[5,6]C[6]O[5])(C[5]C[5]HH){1|O<1>,2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,3x6]O[5])(C[6]C[6]O)(H){1|O<2>,5|C<4>}	124.0250	0.000	1	124.0250	0.000	1	124.0250	0.000	1	124.0250	0.000	1	118.7661	7.743	10	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,3x6]	C[6]	4:3:3:	4:4:3:1:	3:3:3:	C[5,3x6]-4:C[5]-3:C[6]-3:	C[5,5,6,6]-4:C[4x6]-4:C[5,6]-3:H-1:	C[5,6]-3:C[6]-3:C-3:	C[5,6](C[5,3x6]C[5,5,6,6]C[4x6]H)(C[5]C[5,5]C)(C[6]C[6]C)	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(H)	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6]H)(CCH)	C[5,6](C[5,3x6]C[5,5,6,6]C[4x6]H)(C[5]C[5,5]C)(C[6]C[6]C){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(H){1|O<1>,2|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6]H)(CCH){1|C<3>,2|H<1>,3|C<4>}	116.9030	0.000	1	116.9030	0.000	1	116.9030	0.000	1	116.9030	0.000	1	118.7661	7.743	10	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,3x6]	C[6]	4:3:3:	4:4:3:1:	3:4:3:	C[5,3x6]-4:C[5]-3:C[6]-3:	C[5,6,6]-4:C[4x6]-4:C[5,6]-3:H-1:	C[5,6]-3:C[6]-4:C-3:	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[5]C[5]C)(C[6]C[6]C)	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(H)	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(CCH)	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[5]C[5]C)(C[6]C[6]C){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(H){1|O<1>,2|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(CCH){1|C<3>,3|C<4>,3|H<1>}	117.4970	0.000	1	117.4970	0.000	1	117.4970	0.000	1	117.4970	0.000	1	118.7661	7.743	10	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,3x6]	C[6]	4:3:3:	4:4:3:2:	3:3:3:	C[5,3x6]-4:C[5]-3:C[6]-3:	C[5,6,6]-4:C[4x6]-4:C[5,6]-3:O-2:	C[5,6]-3:C[6]-3:C-3:	C[5,6](C[5,3x6]C[5,6,6]C[4x6]O)(C[5]C[5]C)(C[6]C[6]C)	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH)	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6]H)(CCH)	C[5,6](C[5,3x6]C[5,6,6]C[4x6]O)(C[5]C[5]C)(C[6]C[6]C){2|C<3>,2|C<4>,4|H<1>}	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH){1|O<1>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6]H)(CCH){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	116.2970	0.000	1	116.2970	0.000	1	116.2970	0.000	1	116.2970	0.000	1	118.7661	7.743	10	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,3x6]	C[6]	4:3:3:	4:4:3:2:	3:4:3:	C[5,3x6]-4:C[5]-3:C[6]-3:	C[5,5,6,6]-4:C[4x6]-4:C[5,6]-3:O-2:	C[5,6]-3:C[6]-4:C-3:	C[5,6](C[5,3x6]C[5,5,6,6]C[4x6]O)(C[5]C[5,5]C)(C[6]C[6]C)	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH)	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(CCH)	C[5,6](C[5,3x6]C[5,5,6,6]C[4x6]O)(C[5]C[5,5]C)(C[6]C[6]C){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH){1|O<1>,2|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(CCH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	116.3940	0.000	1	116.3940	0.000	1	116.3940	0.000	1	117.2583	0.468	4	118.7661	7.743	10	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,3x6]	C[6]	4:3:3:	4:4:3:2:	3:4:3:	C[5,3x6]-4:C[5]-3:C[6]-3:	C[5,6,6]-4:C[4x6]-4:C[5,6]-3:O-2:	C[5,6]-3:C[6]-4:C-3:	C[5,6](C[5,3x6]C[5,6,6]C[4x6]O)(C[5]C[5]C)(C[6]C[6]C)	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH)	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(CCH)	C[5,6](C[5,3x6]C[5,6,6]C[4x6]O)(C[5]C[5]C)(C[6]C[6]C){1|C<3>,3|C<4>,5|H<1>}	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(CCH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	117.6545	0.581	2	117.6545	0.337	2	117.5463	0.204	3	117.2583	0.468	4	118.7661	7.743	10	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,3x6]	C[6]	4:3:3:	4:4:3:2:	3:4:3:	C[5,3x6]-4:C[5]-3:C[6]-3:	C[5,6,6]-4:C[4x6]-4:C[5,6]-3:O-2:	C[5,6]-3:C[6]-4:C-3:	C[5,6](C[5,3x6]C[5,6,6]C[4x6]O)(C[5]C[5]C)(C[6]C[6]C)	C[5,3x6](C[5,6,6]C[3x6]C[5]O)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH)	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(CCH)	C[5,6](C[5,3x6]C[5,6,6]C[4x6]O)(C[5]C[5]C)(C[6]C[6]C){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,3x6](C[5,6,6]C[3x6]C[5]O)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH){1|O<1>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(CCH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	117.3300	0.000	1	117.3300	0.000	1	117.5463	0.204	3	117.2583	0.468	4	118.7661	7.743	10	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,3x6]	C[6]	4:3:3:	4:4:3:4:	3:3:4:	C[5,3x6]-4:C[5,6a]-3:C[6]-3:	Ge[5,3x6]-4:C[3x6]-4:C[5,6]-3:C-4:	C[5,6]-3:C[6]-3:C-4:	C[5,6](C[5,3x6]Ge[5,3x6]C[3x6]C)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]C)	C[5,3x6](Ge[5,3x6]C[5,6a]C[6,6]2)(C[3x6]Ge[3x6]C[6]H)(C[5,6]C[5,6a]C[6])(CCCH)	C[6](C[5,6]C[5,3x6]C[5,6a])(C[6]C[6]H)(CCCH)	C[5,6](C[5,3x6]Ge[5,3x6]C[3x6]C)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]C){1|Ge<4>,3|H<1>,5|C<3>}	C[5,3x6](Ge[5,3x6]C[5,6a]C[6,6]2)(C[3x6]Ge[3x6]C[6]H)(C[5,6]C[5,6a]C[6])(CCCH){2|C<4>,2|H<1>,6|C<3>}	C[6](C[5,6]C[5,3x6]C[5,6a])(C[6]C[6]H)(CCCH){1|Ge<4>,1|H<1>,2|C<3>,2|C<4>}	122.0960	0.000	1	122.0960	0.000	1	122.0960	0.000	1	122.0960	0.000	1	118.7661	7.743	10	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,3x6]	C[6]	4:4:3:	4:4:3:4:	3:3:2:	C[5,3x6]-4:C[5]-4:C[6]-3:	C[3x6]-4:N[5,6]-4:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6]-3:O-2:	C[5,6](C[5,3x6]C[3x6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O)	C[5,3x6](C[3x6]C[6,6]C[6]H)(N[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6,6]O)(OH)	C[5,6](C[5,3x6]C[3x6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O){1|O<1>,4|C<4>,6|H<1>}	C[5,3x6](C[3x6]C[6,6]C[6]H)(N[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH){10|H<1>,1|C<3>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6,6]O)(OH){1|N<4>,3|H<1>,4|C<4>}	121.8100	0.000	1	121.8100	0.000	1	121.8100	0.000	1	121.8100	0.000	1	118.7661	7.743	10	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,5,6,6]	C[6]	4:3:3:	4:4:3:2:	3:3:1:	C[5,5,6,6]-4:C[6]-3:C[5]-3:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-3:O[6]-2:	C[5,6]-3:C[6,6a]-3:H-1:	C[5,6](C[5,5,6,6]C[5,5,6]2O[6])(C[6]C[6,6a]H)(C[5]O[5]O)	C[5,5,6,6](C[5,5,6]C[5,5,6,6]O[5]H)(C[5,5,6]C[5,5,6]C[5,6]O)(C[5,6]C[5]C[6])(O[6]C[6,6a])	C[6](C[5,6]C[5,5,6,6]C[5])(C[6,6a]C[6,6a]C[6a])(H)	C[5,6](C[5,5,6,6]C[5,5,6]2O[6])(C[6]C[6,6a]H)(C[5]O[5]O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,5,6,6](C[5,5,6]C[5,5,6,6]O[5]H)(C[5,5,6]C[5,5,6]C[5,6]O)(C[5,6]C[5]C[6])(O[6]C[6,6a]){1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[5,6]C[5,5,6,6]C[5])(C[6,6a]C[6,6a]C[6a])(H){1|O<1>,2|C<3>,2|C<4>,3|O<2>}	120.9210	0.000	1	120.9210	0.000	1	120.9210	0.000	1	120.9210	0.000	1	120.9210	0.000	1	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[6]	4:2:3:	4:3:3:4:	3:4:3:	C[5,5,6]-4:N[5]-2:C[6]-3:	C[5,6,6]-4:C[5,6]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:C[6]-4:C-3:	C[5,6](C[5,5,6]C[5,6,6]C[5,6]C[5])(N[5]C[5,6])(C[6]C[6]C)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,6]C[6])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6,6]HH)(COO)	C[5,6](C[5,5,6]C[5,6,6]C[5,6]C[5])(N[5]C[5,6])(C[6]C[6]C){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,6]C[6])(C[5,6]C[6]N[5])(C[5]C[5]HH){3|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6,6]HH)(COO){2|C<3>,4|C<4>}	121.2300	0.000	1	121.2300	0.000	1	121.2300	0.000	1	122.1775	1.796	2	122.7766	4.177	57	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[6]	4:2:3:	4:3:3:4:	3:4:3:	C[5,5,6]-4:N[5]-2:C[6]-3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:C[6]-4:C-3:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a])(C[6]C[6]C)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6,6]HH)(COO)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a])(C[6]C[6]C){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){3|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6,6]HH)(COO){2|C<3>,4|C<4>}	123.1250	0.000	1	123.1250	0.000	1	123.1250	0.000	1	122.1775	1.796	2	122.7766	4.177	57	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[6]	4:2:3:	4:3:4:3:	3:3:3:	C[5,5,6]-4:O[5]-2:C[6]-3:	C[5,5,6]-4:C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:C-3:	C[5,6](C[5,5,6]C[5,5,6]C[5]C[6])(O[5]C[5,6])(C[6]C[6]C)	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[6]O[5])(C[5]C[5,6]CC)(C[6]C[6]O)	C[6](C[5,6]C[5,5,6]O[5])(C[6]C[6]O)(CC[6a]O)	C[5,6](C[5,5,6]C[5,5,6]C[5]C[6])(O[5]C[5,6])(C[6]C[6]C){1|H<1>,2|O<1>,7|C<4>}	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[6]O[5])(C[5]C[5,6]CC)(C[6]C[6]O){2|C<3>,3|H<1>,5|C<4>}	C[6](C[5,6]C[5,5,6]O[5])(C[6]C[6]O)(CC[6a]O){1|C<3>,5|C<4>}	127.1440	0.000	1	127.1440	0.000	1	127.1440	0.000	1	127.1440	0.000	1	122.7766	4.177	57	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[6]	4:3:2:	3:4:4:3:	3:3:1:	C[5,5,6]-4:C[6]-3:O[5]-2:	C[5,6]-3:C[5,5]-4:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:Cl-1:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[6]Cl)(O[5]C[5])	C[5,5,6](C[5,6]C[6]O[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(C[6]C[6]H)	C[6](C[5,6]C[5,5,6]O[5])(C[6]C[6]O)(Cl)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[6]Cl)(O[5]C[5]){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[6]O[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(C[6]C[6]H){1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]O[5])(C[6]C[6]O)(Cl){1|C<3>,1|H<1>,3|C<4>}	123.4290	0.000	1	123.4290	0.000	1	123.4290	0.000	1	123.4290	0.000	1	122.7766	4.177	57	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[6]	4:3:2:	4:3:3:4:	3:4:1:	C[5,5,6]-4:C[6]-3:N[5]-2:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:C[6,6]-4:O-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6]C[6,6]O)(N[5]C[5,6a])	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]Cl2)	C[6](C[5,6]C[5,5,6]N[5])(C[6,6]C[6,6]C[6]H)(O)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6]C[6,6]O)(N[5]C[5,6a]){2|Cl<1>,1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]Cl2){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[6](C[5,6]C[5,5,6]N[5])(C[6,6]C[6,6]C[6]H)(O){2|C<3>,3|H<1>,4|C<4>}	121.5750	0.000	1	121.5750	0.000	1	121.5750	0.000	1	121.5750	0.000	1	122.7766	4.177	57	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[6]	4:3:2:	4:3:4:4:	3:3:1:	C[5,5,6]-4:C[6]-3:O[5]-2:	C[6,6]-4:C[5,6]-3:C[5,5]-4:C[5]-4:	C[5,6]-3:C[6]-3:Cl-1:	C[5,6](C[5,5,6]C[5,5]C[6,6]C[5])(C[6]C[6]Cl)(O[5]C[5])	C[5,5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[6](C[5,6]C[5,5,6]O[5])(C[6]C[6,6]O)(Cl)	C[5,6](C[5,5,6]C[5,5]C[6,6]C[5])(C[6]C[6]Cl)(O[5]C[5]){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	C[5,5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|Cl<1>,2|C<4>,4|C<3>,5|H<1>}	C[6](C[5,6]C[5,5,6]O[5])(C[6]C[6,6]O)(Cl){1|C<3>,1|H<1>,4|C<4>}	123.8530	0.000	1	123.8530	0.000	1	123.8530	0.000	1	123.8530	0.000	1	122.7766	4.177	57	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[6]	4:3:2:	4:3:4:4:	4:3:4:	C[5,5,6]-4:C[6]-3:O[5]-2:	C[5,5,6]-4:C[5,6]-3:C[5]-4:C[5]-4:	C[5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[5,6]C)(O[5]C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[6]O[5])(C[5]C[5]CH)(C[5]C[5]HH)	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,5,6]O[5])(CH3)	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[5,6]C)(O[5]C[5]){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[6]O[5])(C[5]C[5]CH)(C[5]C[5]HH){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,5,6]O[5])(CH3){1|C<3>,1|O<1>,6|C<4>}	125.7360	0.000	1	125.7360	0.000	1	125.7360	0.000	1	125.7360	0.000	1	122.7766	4.177	57	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[6]	4:3:3:	3:3:4:4:	3:3:1:	C[5,5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:N[5,6]-3:C[5,5]-4:C-4:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]N[5,6]C)(C[5]C[5]C)(C[6]C[6]H)	C[5,5,6](C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(C[5,5]C[5]2O)(CH3)	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,5,6]C[5,5]N[5,6]C)(C[5]C[5]C)(C[6]C[6]H){1|H<1>,1|O<2>,4|C<3>}	C[5,5,6](C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(C[5,5]C[5]2O)(CH3){2|H<1>,5|C<3>}	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	118.1290	0.000	1	118.1290	0.000	1	118.1290	0.000	1	118.1290	0.000	1	122.7766	4.177	57	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[6]	4:3:3:	3:4:3:3:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[5,6]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6a]C[5,6a,6a]C[6a])(C[6]C[5,6]C[6a])	C[5,5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[5,6a]C[6])(C[5]C[6a]C[5])	C[6](C[5,6]C[5,5,6]C[5,6a])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6a]C[5,6a,6a]C[6a])(C[6]C[5,6]C[6a]){11|C<3>,1|H<1>}	C[5,5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[5,6a]C[6])(C[5]C[6a]C[5]){11|C<3>,1|H<1>,1|O<1>}	C[6](C[5,6]C[5,5,6]C[5,6a])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2){1|C<4>,2|H<1>,9|C<3>}	120.9550	0.000	1	120.9550	0.000	1	120.9550	0.000	1	120.9550	0.000	1	122.7766	4.177	57	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[6]	4:3:3:	3:4:3:4:	3:3:1:	C[5,5,6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,5]-4:C[5,6]-3:C[6]-4:	C[5,6]-3:N[6]-3:O-1:	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[5]O[5]C)(C[6]N[6]O)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)	C[6](C[5,6]C[5,5,6]C[5])(N[6]C[6]C)(O)	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[5]O[5]C)(C[6]N[6]O){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5])(N[6]C[6]C)(O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	121.5560	0.000	1	121.5560	0.000	1	121.5560	0.000	1	122.9395	6.465	4	122.7766	4.177	57	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[6]	4:3:3:	3:4:3:4:	3:3:1:	C[5,5,6]-4:C[5]-3:C[6]-3:	C[6,6a]-3:C[5,5]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5]C[5]H)(C[6]C[6]H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6,6a]H)(H)	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5]C[5]H)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6])(C[5]C[5]HH){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6,6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	120.0950	0.000	1	120.0950	0.000	1	120.0950	0.000	1	122.9395	6.465	4	122.7766	4.177	57	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[6]	4:3:3:	3:4:3:4:	3:3:1:	C[5,5,6]-4:C[6]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]H)(N[5]C[5]S)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]N)(H)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]H)(N[5]C[5]S){1|C<4>,1|N<2>,1|N<3>,2|C<3>,5|H<1>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<4>,1|S<4>,3|C<3>,6|H<1>}	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]N)(H){1|C<3>,1|S<4>,2|H<1>,3|C<4>}	125.0535	0.671	2	125.0535	0.450	2	125.0535	0.450	2	122.9395	6.465	4	122.7766	4.177	57	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[6]	4:3:3:	3:4:3:4:	3:4:1:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]S)(C[6]C[6]H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5,6]HH)	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]HH)(H)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]S)(C[6]C[6]H){2|C<3>,3|C<4>,5|H<1>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5,6]HH){1|S<4>,2|C<4>,3|C<3>,6|H<1>}	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]HH)(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	125.3550	0.000	1	125.3550	0.000	1	125.3550	0.000	1	125.3550	0.000	1	122.7766	4.177	57	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[6]	4:3:3:	3:4:3:4:	3:4:3:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:C[6]-4:C-3:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(C[6]C[6]C)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]HH)(COO)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(C[6]C[6]C){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5,6]C[6]N[5])(C[5]C[5]HH){2|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]HH)(COO){1|H<1>,2|C<4>,3|C<3>}	123.1640	0.000	1	123.1640	0.000	1	123.1640	0.000	1	123.1640	0.000	1	122.7766	4.177	57	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[6]	4:3:3:	3:4:4:3:	3:4:1:	C[5,5,6]-4:C[6]-3:N[5]-3:	C[5,6]-3:C[5,5]-4:C[6]-4:N[5]-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[6]C[6]H)(N[5]C[5]C)	C[5,5,6](C[5,6]C[6]N[5])(C[5,5]C[5]2H)(C[6]C[6]HH)(N[5]C[5]C)	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[6]C[6]H)(N[5]C[5]C){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[6]N[5])(C[5,5]C[5]2H)(C[6]C[6]HH)(N[5]C[5]C){1|C<3>,2|C<4>,2|O<1>,4|H<1>}	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	124.1800	0.000	1	124.1800	0.000	1	124.1800	0.000	1	124.1800	0.000	1	122.7766	4.177	57	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[6]	4:3:3:	4:3:3:3:	3:3:3:	C[5,5,6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6]-3:C[5]-3:C[5]-3:	C[5,6]-3:C[6]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]C[6a]N[5])(C[6]C[6a]C[6])	C[5,5,6](C[5,6]C[5,6]CC)(C[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[5]N[5]C)	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[5,6]H)(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]C[6a]N[5])(C[6]C[6a]C[6]){1|H<1>,2|C<4>,8|C<3>}	C[5,5,6](C[5,6]C[5,6]CC)(C[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[5]N[5]C){1|H<1>,6|C<3>}	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[5,6]H)(C[6a]C[6a]2){1|C<4>,1|N<2>,3|H<1>,6|C<3>}	118.0060	0.000	1	118.0060	0.000	1	118.0060	0.000	1	118.0060	0.000	1	122.7766	4.177	57	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[6]	4:3:3:	4:3:3:4:	3:4:3:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[5,6,6]-4:C[5,6]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:C[6]-4:C-3:	C[5,6](C[5,5,6]C[5,6,6]C[5,6]C[5])(N[5]C[5,6]H)(C[6]C[6]C)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,6]C[6])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6,6]HH)(COO)	C[5,6](C[5,5,6]C[5,6,6]C[5,6]C[5])(N[5]C[5,6]H)(C[6]C[6]C){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,6]C[6])(C[5,6]C[6]N[5])(C[5]C[5]HH){3|C<3>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6,6]HH)(COO){1|H<1>,2|C<3>,4|C<4>}	123.5070	0.000	1	123.5070	0.000	1	123.5070	0.000	1	123.2657	1.279	20	122.7766	4.177	57	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[6]	4:3:3:	4:3:3:4:	3:4:3:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:C[6,6]-4:C-3:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[6](C[5,6]C[5,5,6]N[5])(C[6,6]C[6,6]C[6]H)(CHO)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){2|C<4>,3|C<3>,6|H<1>}	C[6](C[5,6]C[5,5,6]N[5])(C[6,6]C[6,6]C[6]H)(CHO){3|C<3>,3|C<4>,3|H<1>}	123.0590	0.000	1	123.0590	0.000	1	123.6151	1.375	8	123.2657	1.279	20	122.7766	4.177	57	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[6]	4:3:3:	4:3:3:4:	3:4:3:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:C[6,6]-4:C-3:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[6](C[5,6]C[5,5,6]N[5])(C[6,6]C[6,6]C[6]H)(COO)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){2|C<4>,3|C<3>,6|H<1>}	C[6](C[5,6]C[5,5,6]N[5])(C[6,6]C[6,6]C[6]H)(COO){2|C<3>,4|C<4>,4|H<1>}	124.5670	1.325	2	123.5105	1.570	6	123.6151	1.375	8	123.2657	1.279	20	122.7766	4.177	57	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[6]	4:3:3:	4:3:3:4:	3:4:3:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:C[6,6]-4:C-3:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[6](C[5,6]C[5,5,6]N[5])(C[6,6]C[6,6]C[6]H)(COO)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){2|C<4>,3|C<3>,6|H<1>}	C[6](C[5,6]C[5,5,6]N[5])(C[6,6]C[6,6]C[6]H)(COO){3|C<3>,3|C<4>,4|H<1>}	123.8670	0.000	1	123.5105	1.570	6	123.6151	1.375	8	123.2657	1.279	20	122.7766	4.177	57	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[6]	4:3:3:	4:3:3:4:	3:4:3:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:C[6,6]-4:C-3:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[6](C[5,6]C[5,5,6]N[5])(C[6,6]C[6,6]C[6]H)(COO)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,5,6]N[5])(C[6,6]C[6,6]C[6]H)(COO){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	123.7420	0.000	1	123.5105	1.570	6	123.6151	1.375	8	123.2657	1.279	20	122.7766	4.177	57	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[6]	4:3:3:	4:3:3:4:	3:4:3:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:C[6,6]-4:C-3:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[6](C[5,6]C[5,5,6]N[5])(C[6,6]C[6,6]C[6]H)(COO)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){2|C<4>,3|C<3>,6|H<1>}	C[6](C[5,6]C[5,5,6]N[5])(C[6,6]C[6,6]C[6]H)(COO){3|C<3>,3|C<4>,3|H<1>}	122.1600	0.178	2	123.5105	1.570	6	123.6151	1.375	8	123.2657	1.279	20	122.7766	4.177	57	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[6]	4:3:3:	4:3:3:4:	3:4:3:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:C[6,6]-4:C-3:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HS)	C[6](C[5,6]C[5,5,6]N[5])(C[6,6]C[6,6]C[6]H)(COO)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C){1|N<3>,1|S<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HS){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]N[5])(C[6,6]C[6,6]C[6]H)(COO){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	124.7990	0.000	1	124.7990	0.000	1	123.6151	1.375	8	123.2657	1.279	20	122.7766	4.177	57	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[6]	4:3:3:	4:3:3:4:	3:4:3:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:C[6]-4:C-3:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]C)	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[5,6,6]HH)(COO)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]C){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){3|C<3>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[5,6,6]HH)(COO){1|H<1>,2|C<3>,4|C<4>}	123.7482	0.573	4	123.7482	0.328	4	122.9895	1.280	11	123.2657	1.279	20	122.7766	4.177	57	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[6]	4:3:3:	4:3:3:4:	3:4:3:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:C[6]-4:C-3:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]C)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6,6]HH)(COO)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]C){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){3|C<3>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6,6]HH)(COO){1|H<1>,2|C<3>,4|C<4>}	122.5450	1.280	6	122.5560	1.366	7	122.9895	1.280	11	123.2657	1.279	20	122.7766	4.177	57	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[6]	4:3:3:	4:3:3:4:	3:4:3:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:C[6]-4:C-3:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]C)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6,6]HH)(COO)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]C){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){3|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6,6]HH)(COO){1|H<1>,3|C<3>,3|C<4>}	122.6220	0.000	1	122.5560	1.366	7	122.9895	1.280	11	123.2657	1.279	20	122.7766	4.177	57	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[6]	4:3:3:	4:3:3:4:	4:3:3:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[6,6]-4:C[5,6]-3:C-3:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C)	C[5,5,6](C[5,6,6]C[3,6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5,5,6]N[5])(COO)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[3,6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5,5,6]N[5])(COO){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	124.7440	0.000	1	124.7440	0.000	1	123.3785	3.729	2	123.3785	3.729	2	122.7766	4.177	57	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[6]	4:3:3:	4:3:3:4:	4:3:3:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[6,6]-4:C[5,6]-3:C-3:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C)	C[5,5,6](C[5,6,6]N[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5,5]HH)	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,5,6]N[5])(COO)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]N[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5,5]HH){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,5,6]N[5])(COO){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	122.0130	0.000	1	122.0130	0.000	1	123.3785	3.729	2	123.3785	3.729	2	122.7766	4.177	57	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[6]	4:3:3:	4:3:4:3:	3:3:1:	C[5,5,6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6]-3:C[5]-4:C[5]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]N[5]O)(C[6]C[6]H)	C[5,5,6](C[5,6]C[5]C[6]O)(C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]N[5]O)	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]N[5]O)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[5]C[6]O)(C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]N[5]O){1|O<1>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	121.0845	0.169	2	121.0845	0.029	2	121.0845	0.029	2	121.0845	0.029	2	122.7766	4.177	57	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[6]	4:3:3:	4:4:3:1:	3:2:1:	C[5,5,6]-4:C[5]-3:C[6]-3:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-3:O[6]-2:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(C[6]O[6]H)	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(H)	C[6](C[5,6]C[5,5,6]C[5])(O[6]C[6])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(C[6]O[6]H){1|C<4>,2|C<3>,2|H<1>}	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(H){1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5])(O[6]C[6])(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	123.8330	0.000	1	123.8330	0.000	1	123.8330	0.000	1	123.8330	0.000	1	122.7766	4.177	57	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[6]	4:3:3:	4:4:3:2:	3:3:1:	C[5,5,6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6]-4:C[5,6]-3:O[5]-2:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,5,6]C[5,6]2O[5])(C[5]C[5]H)(C[6]C[6]H)	C[5,5,6](C[5,6]N[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5,6]C[5]C[6])(O[5]C[5])	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]2O[5])(C[5]C[5]H)(C[6]C[6]H){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,5,6](C[5,6]N[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5,6]C[5]C[6])(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[5,6]H)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	114.7840	0.000	1	114.7840	0.000	1	114.7840	0.000	1	114.7840	0.000	1	122.7766	4.177	57	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[6]	4:3:3:	4:4:3:2:	3:4:1:	C[5,5,6]-4:C[5]-3:C[6]-3:	C[5,5]-4:C[5,6]-4:C[5,6]-3:O-2:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]O[5]O)(C[6]C[6]H)	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(OH)	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6]CH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]O[5]O)(C[6]C[6]H){3|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,7|H<1>}	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6]CH)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	124.7480	0.000	1	124.7480	0.000	1	124.7480	0.000	1	124.7480	0.000	1	122.7766	4.177	57	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[6]	4:3:3:	4:4:3:3:	3:3:1:	C[5,5,6]-4:C[5,6a]-3:C[6]-3:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-3:	C[5,6]-3:C[6,6a]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]H)	C[5,5,6](C[5,5]C[5,6a]O[5]H)(C[5,6]C[6,6a]C[5]O)(C[5,6]C[5,6a]C[6])(COO)	C[6](C[5,6]C[5,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]H){2|H<1>,2|O<2>,5|C<3>}	C[5,5,6](C[5,5]C[5,6a]O[5]H)(C[5,6]C[6,6a]C[5]O)(C[5,6]C[5,6a]C[6])(COO){1|H<1>,1|O<1>,4|C<3>}	C[6](C[5,6]C[5,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,2|C<4>,5|C<3>}	122.3415	0.820	2	122.3415	0.672	2	122.3415	0.672	2	122.0733	0.552	3	122.7766	4.177	57	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[6]	4:3:3:	4:4:3:3:	3:3:1:	C[5,5,6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[5,5]-4:C[5,6]-3:C-3:	C[6,6a]-3:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5]C[6a]C[5])(C[6]C[6,6a]H)	C[5,5,6](C[5,6]C[6,6a]C[5]O)(C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6])(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]C[5])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5]C[6a]C[5])(C[6]C[6,6a]H){1|C<4>,1|H<1>,2|O<2>,5|C<3>}	C[5,5,6](C[5,6]C[6,6a]C[5]O)(C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6])(COO){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]C[5])(H){1|H<1>,2|C<4>,5|C<3>}	121.5370	0.000	1	121.5370	0.000	1	121.5370	0.000	1	122.0733	0.552	3	122.7766	4.177	57	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[6]	4:3:3:	4:4:3:4:	3:4:1:	C[5,5,6]-4:C[6]-3:C[5]-3:	C[5,3x6]-4:C[3,5]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:C[6,6]-4:H-1:	C[5,6](C[5,5,6]C[5,3x6]C[3,5]C[5])(C[6]C[6,6]H)(C[5]O[5]O)	C[5,5,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[3,5]C[5,6]C[3]O[3])(C[5,6]C[5]C[6])(C[5]O[5]HH)	C[6](C[5,6]C[5,5,6]C[5])(C[6,6]C[6,6]C[6]C)(H)	C[5,6](C[5,5,6]C[5,3x6]C[3,5]C[5])(C[6]C[6,6]H)(C[5]O[5]O){1|C<3>,1|O<2>,2|H<1>,6|C<4>}	C[5,5,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[3,5]C[5,6]C[3]O[3])(C[5,6]C[5]C[6])(C[5]O[5]HH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,8|H<1>}	C[6](C[5,6]C[5,5,6]C[5])(C[6,6]C[6,6]C[6]C)(H){1|O<2>,2|H<1>,2|O<1>,4|C<4>}	122.5710	0.033	2	122.5710	0.001	2	122.5710	0.001	2	122.5710	0.001	2	122.7766	4.177	57	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[6]	4:3:4:	3:2:4:4:	4:3:4:	C[5,5,6]-4:C[6]-3:C[5]-4:	C[5,6]-3:O[5,6]-2:C[5]-4:C[5]-4:	C[5,6,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[6]C[5,6,6]C)(C[5]C[5]HH)	C[5,5,6](C[5,6]C[5]C[6])(O[5,6]C[5,6,6])(C[5]C[5]CC)(C[5]C[5]HO)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[5,6]C[5,5,6]C[5])(CH3)	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[6]C[5,6,6]C)(C[5]C[5]HH){2|H<1>,2|O<2>,6|C<4>}	C[5,5,6](C[5,6]C[5]C[6])(O[5,6]C[5,6,6])(C[5]C[5]CC)(C[5]C[5]HO){1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[5,6]C[5,5,6]C[5])(CH3){2|O<2>,5|H<1>,7|C<4>}	122.1360	0.000	1	122.1360	0.000	1	122.1360	0.000	1	122.1360	0.000	1	122.7766	4.177	57	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[6]	4:4:3:	3:4:3:4:	3:4:1:	C[5,5,6]-4:C[5]-4:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(C[6]C[6]H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]O[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)	C[6](C[5,6]C[5,5,6]C[5])(C[6]O[6]HH)(H)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(C[6]C[6]H){1|N<3>,1|O<2>,4|C<3>,5|H<1>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]O[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[6](C[5,6]C[5,5,6]C[5])(C[6]O[6]HH)(H){1|C<3>,2|H<1>,3|C<4>}	121.7050	0.000	1	121.7050	0.000	1	121.7050	0.000	1	121.7050	0.000	1	122.7766	4.177	57	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[6]	4:4:3:	3:4:4:3:	3:3:1:	C[5,5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:C[5,5]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]H)	C[5,5,6](C[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[6]C[6]CH)(C[5]O[5]O)	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6]O)(H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]H){1|O<2>,2|O<1>,3|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[6]C[6]CH)(C[5]O[5]O){1|C<3>,2|C<4>,7|H<1>}	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6]O)(H){1|C<3>,3|C<4>,4|H<1>}	122.6065	0.462	2	122.6065	0.213	2	122.6065	0.213	2	122.6065	0.213	2	122.7766	4.177	57	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[6]	4:4:3:	3:4:4:4:	3:4:1:	C[5,5,6]-4:C[5,6]-4:C[6]-3:	C[5,6]-3:C[5,6]-4:C[5]-4:C[5]-4:	C[5,6]-3:C[6]-4:Cl-1:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[6]H)(C[6]C[6]Cl)	C[5,5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5,6]HH)(C[5]C[5,6]HH)(C[5]C[5]HH)	C[6](C[5,6]C[5,5,6]C[5,6])(C[6]C[5,6]ClH)(Cl)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[6]H)(C[6]C[6]Cl){10|H<1>,1|Cl<1>,1|C<3>,3|C<4>}	C[5,5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5,6]HH)(C[5]C[5,6]HH)(C[5]C[5]HH){1|Cl<1>,1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,5,6]C[5,6])(C[6]C[5,6]ClH)(Cl){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	120.4360	0.000	1	120.4360	0.000	1	120.4360	0.000	1	120.4360	0.000	1	122.7766	4.177	57	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[5,5,6]-4:C[5]-4:C[6]-3:	C[5,6,6]-4:C[5,6]-3:C[5,5]-4:H-1:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5]O[5]HH)(C[6]C[6]H)	C[5,5,6](C[5,6,6]C[6,6]2C[5])(C[5,6]C[5]C[6])(C[5,5]O[5]2H)(H)	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6,6]HH)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5]O[5]HH)(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,5,6](C[5,6,6]C[6,6]2C[5])(C[5,6]C[5]C[6])(C[5,5]O[5]2H)(H){1|N<2>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6,6]HH)(H){1|O<2>,3|C<4>,4|H<1>}	124.1040	0.000	1	124.1040	0.000	1	124.1040	0.000	1	124.1040	0.000	1	122.7766	4.177	57	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[6]	4:4:3:	4:3:4:4:	3:3:4:	C[5,5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:C[5,6]-3:C[5]-4:C[5]-4:	C[5,6]-3:C[6]-3:C-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]C)	C[5,5,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5,5]HH)(C[5]C[5]CH)	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6]O)(CH3)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]C){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[5,5,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5,5]HH)(C[5]C[5]CH){1|C<3>,4|C<4>,7|H<1>}	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6]O)(CH3){4|C<4>,4|H<1>}	124.8980	0.000	1	124.8980	0.000	1	124.8980	0.000	1	124.8980	0.000	1	122.7766	4.177	57	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:	C[5,5,6]-4:C[5]-4:C[6]-3:	C[5,5]-4:C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]H)	C[5,5,6](C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)	C[6](C[5,6]C[5,5,6]C[5])(C[6]N[6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,2|N<3>,7|H<1>}	C[5,5,6](C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH){1|C<4>,1|S<4>,2|C<3>,2|O<1>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5])(C[6]N[6]HH)(H){1|H<1>,1|O<1>,1|S<4>,4|C<4>}	123.1700	0.000	1	123.1700	0.000	1	123.1700	0.000	1	123.1700	0.000	1	122.7766	4.177	57	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6,6]	C[6]	4:2:3:	4:3:4:3:	3:3:1:	C[5,6,6]-4:O[5]-2:C[6]-3:	C[5,6]-4:C[5,6]-3:C[6]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6,6]C[5,6]C[6]2)(O[5]C[5,6])(C[6]C[6]H)	C[5,6,6](C[5,6]C[5,6]HH)(C[5,6]C[6]O[5])(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[5,6]C[5,6,6]O[5])(C[6]C[6]O)(H)	C[5,6](C[5,6,6]C[5,6]C[6]2)(O[5]C[5,6])(C[6]C[6]H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5,6]HH)(C[5,6]C[6]O[5])(C[6]C[6]CH)(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6,6]O[5])(C[6]C[6]O)(H){1|C<3>,1|O<2>,3|C<4>}	124.6530	0.000	1	124.6530	0.000	1	124.6530	0.000	1	124.6530	0.000	1	123.0934	8.583	38	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6,6]	C[6]	4:2:3:	4:3:4:4:	3:3:1:	C[5,6,6]-4:O[5]-2:C[6]-3:	C[5,6]-4:C[5,6]-3:C[6]-4:C[6]-4:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6,6]C[5,6]C[6]2)(O[5]C[5,6])(C[6]C[6]H)	C[5,6,6](C[5,6]C[5,6]HH)(C[5,6]C[6]O[5])(C[6]C[6,6]HH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6,6]O[5])(C[6]C[6]O)(H)	C[5,6](C[5,6,6]C[5,6]C[6]2)(O[5]C[5,6])(C[6]C[6]H){1|O<1>,3|C<4>,7|H<1>}	C[5,6,6](C[5,6]C[5,6]HH)(C[5,6]C[6]O[5])(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6,6]O[5])(C[6]C[6]O)(H){2|H<1>,4|C<4>}	126.2200	0.000	1	126.2200	0.000	1	126.2200	0.000	1	126.2200	0.000	1	123.0934	8.583	38	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6,6]	C[6]	4:3:2:	3:3:4:4:	3:3:4:	C[5,6,6]-4:C[6]-3:O[5]-2:	C[5,6]-3:C[6,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:C[6]-3:C-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]C)(O[5]C[5])	C[5,6,6](C[5,6]C[6]O[5])(C[6,6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6,6]O[5])(C[6]C[6,6]O)(CCHH)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]C)(O[5]C[5]){1|O<2>,2|C<4>,2|O<1>,5|H<1>}	C[5,6,6](C[5,6]C[6]O[5])(C[6,6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]O[5])(C[6]C[6,6]O)(CCHH){2|C<3>,4|C<4>}	125.9700	0.000	1	126.0330	0.008	2	126.3483	0.188	4	126.3483	0.188	4	123.0934	8.583	38	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6,6]	C[6]	4:3:2:	3:3:4:4:	3:3:4:	C[5,6,6]-4:C[6]-3:O[5]-2:	C[5,6]-3:C[6,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:C[6]-3:C-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]C)(O[5]C[5])	C[5,6,6](C[5,6]C[6]O[5])(C[6,6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6,6]O[5])(C[6]C[6,6]O)(CCHH)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]C)(O[5]C[5]){2|O<1>,3|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[6]O[5])(C[6,6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]O[5])(C[6]C[6,6]O)(CCHH){2|C<3>,4|C<4>}	126.0960	0.000	1	126.0330	0.008	2	126.3483	0.188	4	126.3483	0.188	4	123.0934	8.583	38	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6,6]	C[6]	4:3:2:	3:3:4:4:	3:3:4:	C[5,6,6]-4:C[6]-3:O[5]-2:	C[5,6]-3:C[6,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:C[6]-3:C-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]C)(O[5]C[5])	C[5,6,6](C[5,6]C[6]O[5])(C[6,6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6,6]O[5])(C[6]C[6,6]O)(CC[5]HH)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]C)(O[5]C[5]){2|O<1>,3|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[6]O[5])(C[6,6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]O[5])(C[6]C[6,6]O)(CC[5]HH){2|C<3>,4|C<4>}	126.6635	0.398	2	126.6635	0.158	2	126.3483	0.188	4	126.3483	0.188	4	123.0934	8.583	38	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6,6]	C[6]	4:3:2:	4:3:2:2:	3:3:1:	C[5,6,6]-4:C[6]-3:O[5]-2:	C[3x6]-4:C[5,6]-3:O[6]-2:O[5]-2:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6,6]C[3x6]O[5]O[6])(C[6]C[6]H)(O[5]C[5])	C[5,6,6](C[3x6]C[6,6]2H)(C[5,6]C[6]O[5])(O[6]C[6,6a])(O[5]C[5])	C[6](C[5,6]C[5,6,6]O[5])(C[6]C[6,6]O)(H)	C[5,6](C[5,6,6]C[3x6]O[5]O[6])(C[6]C[6]H)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5,6,6](C[3x6]C[6,6]2H)(C[5,6]C[6]O[5])(O[6]C[6,6a])(O[5]C[5]){1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6,6]O[5])(C[6]C[6,6]O)(H){1|C<3>,2|C<4>,2|O<2>}	124.0870	0.000	1	124.0870	0.000	1	124.0870	0.000	1	124.0870	0.000	1	123.0934	8.583	38	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6,6]	C[6]	4:3:2:	4:4:3:1:	4:3:1:	C[5,6,6]-4:C[6]-3:O[5]-2:	C[6,6]-4:C[5,6]-4:C[5,6]-3:H-1:	C[6,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])	C[5,6,6](C[6,6]C[3,6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5])(H)	C[6](C[6,6]C[3,5,6]C[3,6,6]C)(C[5,6]C[5,6,6]O[5])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5]){2|C<3>,2|H<1>,5|C<4>}	C[5,6,6](C[6,6]C[3,6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[3,5,6]C[3,6,6]C)(C[5,6]C[5,6,6]O[5])(H){1|H<1>,2|O<2>,6|C<4>}	124.2385	0.145	2	124.2385	0.021	2	124.2385	0.021	2	124.2385	0.021	2	123.0934	8.583	38	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6,6]	C[6]	4:3:3:	3:2:4:4:	4:3:1:	C[5,6,6]-4:C[6]-3:C[5]-3:	C[5,6]-3:O[6,6]-2:C[5]-4:C[6]-4:	C[5,6]-4:C[5,6]-3:O-1:	C[5,6](C[5,6,6]O[6,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]C)	C[5,6,6](C[5,6]C[5]C[6])(O[6,6]C[5,6,6])(C[5]C[5]HH)(C[6]C[6]CH)	C[6](C[5,6]C[5,6,6]C[5]C)(C[5,6]C[5,6,6]C[5])(O)	C[5,6](C[5,6,6]O[6,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]C){1|C<3>,4|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5]C[6])(O[6,6]C[5,6,6])(C[5]C[5]HH)(C[6]C[6]CH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[5,6]C[5,6,6]C[5])(O){1|O<1>,1|O<2>,2|C<3>,5|C<4>}	119.3470	0.000	1	119.3470	0.000	1	119.3470	0.000	1	119.3470	0.000	1	123.0934	8.583	38	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6,6]	C[6]	4:3:3:	3:3:3:4:	3:3:1:	C[5,6,6]-4:C[5]-3:C[6]-3:	C[6,6a]-3:C[5,6]-3:N[5,6]-3:C[6]-4:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[5]C[5]H)(C[6]C[6]H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(C[6]C[6]HH)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[5]C[5]H)(C[6]C[6]H){2|C<3>,2|C<4>,5|H<1>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(C[6]C[6]HH){1|C<4>,1|O<2>,3|C<3>,8|H<1>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	118.8330	0.857	3	118.8330	0.735	3	118.8330	0.735	3	118.8330	0.735	3	123.0934	8.583	38	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6,6]	C[6]	4:3:3:	3:4:4:4:	3:4:1:	C[5,6,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H)	C[5,6,6](C[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H){3|C<4>,7|H<1>}	C[5,6,6](C[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH){1|O<1>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	126.4710	0.000	1	126.4710	0.000	1	126.9805	0.519	2	126.9805	0.519	2	123.0934	8.583	38	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6,6]	C[6]	4:3:3:	3:4:4:4:	3:4:1:	C[5,6,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H)	C[5,6,6](C[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HO)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H){1|O<2>,3|C<4>,6|H<1>}	C[5,6,6](C[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH){1|O<1>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	127.4900	0.000	1	127.4900	0.000	1	126.9805	0.519	2	126.9805	0.519	2	123.0934	8.583	38	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6,6]	C[6]	4:3:3:	4:3:4:2:	3:3:1:	C[5,6,6]-4:C[5]-3:C[6]-3:	C[6,6]-4:C[5,6]-3:C[6]-4:O[5]-2:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]H)(C[6]C[6]H)	C[5,6,6](C[6,6]C[6,6]HH)(C[5,6]C[5]C[6])(C[6]C[5,6]HO)(O[5]C[5])	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6,6]H)(H)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]H)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5,6,6](C[6,6]C[6,6]HH)(C[5,6]C[5]C[6])(C[6]C[5,6]HO)(O[5]C[5]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6,6]H)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	118.1370	0.000	1	118.1370	0.000	1	118.1370	0.000	1	118.1370	0.000	1	123.0934	8.583	38	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6,6]	C[6]	4:3:3:	4:3:4:4:	3:4:1:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,6]-4:C[5,6]-3:C[6]-4:C[6]-4:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)	C[5,6,6](C[5,6]C[5,6a]N[6]H)(C[5,6]C[5,6a]C[6])(C[6]C[6]HH)2	C[6](C[5,6]C[5,6,6]C[5,6a])(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,8|H<1>}	C[5,6,6](C[5,6]C[5,6a]N[6]H)(C[5,6]C[5,6a]C[6])(C[6]C[6]HH)2{2|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5,6a])(C[6]C[6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	123.8720	0.000	1	123.8720	0.000	1	123.8720	0.000	1	125.8585	1.915	6	123.0934	8.583	38	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6,6]	C[6]	4:3:3:	4:3:4:4:	3:4:1:	C[5,6,6]-4:C[5]-3:C[6]-3:	C[3,6,6]-4:C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6,6]C[3,6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H)	C[5,6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[3,6]HO)(H)	C[5,6](C[5,6,6]C[3,6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H){2|O<2>,3|C<4>,5|H<1>}	C[5,6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH){1|O<1>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[3,6]HO)(H){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	128.0710	0.000	1	128.0710	0.000	1	128.0710	0.000	1	125.8585	1.915	6	123.0934	8.583	38	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6,6]	C[6]	4:3:3:	4:3:4:4:	3:4:1:	C[5,6,6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6]-3:C[6,6]-4:C-4:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]O[5]O)(C[6]C[6]H)	C[5,6,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6])(C[6,6]C[6]2H)(CH3)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]O[5]O)(C[6]C[6]H){1|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6])(C[6,6]C[6]2H)(CH3){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	125.4115	0.329	2	125.4115	0.108	2	125.4115	0.108	2	125.8585	1.915	6	123.0934	8.583	38	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6,6]	C[6]	4:3:3:	4:3:4:4:	3:4:1:	C[5,6,6]-4:C[5]-3:C[6]-3:	C[6,6]-4:C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H)	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H){1|O<2>,3|C<4>,6|H<1>}	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	126.2340	0.000	1	126.2340	0.000	1	126.1925	0.003	2	125.8585	1.915	6	123.0934	8.583	38	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6,6]	C[6]	4:3:3:	4:3:4:4:	3:4:1:	C[5,6,6]-4:C[5]-3:C[6]-3:	C[6,6]-4:C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HO)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H){1|O<2>,3|C<4>,6|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH){1|O<1>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	126.1510	0.000	1	126.1510	0.000	1	126.1925	0.003	2	125.8585	1.915	6	123.0934	8.583	38	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6,6]	C[6]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6,6]-4:C[6]-3:N[5]-3:	C[6,6]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5a,6]-3:C[5,6]-3:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[5a,6]H)(N[5]C[5]S)	C[5,6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5])(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6,6]N[5])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[5a,6]H)(N[5]C[5]S){2|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5])(H){1|C<3>,1|C<4>,1|S<2>,1|S<4>,7|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6,6]N[5])(H){1|C<3>,1|S<2>,1|S<4>,2|H<1>,3|C<4>}	122.8050	0.000	1	122.8050	0.000	1	122.8050	0.000	1	122.6800	0.059	5	123.0934	8.583	38	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6,6]	C[6]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6,6]-4:C[6]-3:N[5]-3:	C[6,6]-4:C[5,6]-4:C[5,6]-3:H-1:	C[6,6a]-3:C[5,6]-3:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]H)(N[5]C[5]S)	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6,6]N[5])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]H)(N[5]C[5]S){2|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5])(H){1|C<4>,1|S<4>,2|C<3>,7|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6,6]N[5])(H){1|S<4>,2|C<3>,2|H<1>,3|C<4>}	122.6488	0.267	4	122.6488	0.071	4	122.6488	0.071	4	122.6800	0.059	5	123.0934	8.583	38	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6,6]	C[6]	4:3:4:	4:4:3:1:	3:3:1:	C[5,6,6]-4:C[6]-3:C[5]-4:	C[6,6]-4:C[5,6]-4:C[5,6]-3:H-1:	C[6,6a]-3:C[5,6]-3:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]H)(C[5]C[5]HH)	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6,6]C[5])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]H)(C[5]C[5]HH){1|C<4>,2|H<1>,5|C<3>}	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(H){5|C<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6,6]C[5])(H){2|C<3>,3|C<4>,4|H<1>}	120.9000	0.235	2	120.9000	0.055	2	120.9000	0.055	2	120.9000	0.055	2	123.0934	8.583	38	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6,6]	C[6]	4:4:3:	3:3:3:2:	3:3:1:	C[5,6,6]-4:C[5]-4:C[6]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6]-3:O-2:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6]O)(C[5]C[5,6a]HH)(C[6]C[6]H)	C[5,6,6](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6]C[5,6,6a]C[5,6])(C[5,6]C[5]C[6])(OH)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[5,6]O)(H)	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6]O)(C[5]C[5,6a]HH)(C[6]C[6]H){1|O<1>,4|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6]C[5,6,6a]C[5,6])(C[5,6]C[5]C[6])(OH){1|C<4>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[5,6]O)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	120.1310	0.127	2	120.1310	0.016	2	120.1310	0.016	2	120.1310	0.016	2	123.0934	8.583	38	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6,6]	C[6]	4:4:3:	3:3:3:3:	3:3:1:	C[5,6,6]-4:C[5]-4:C[6]-3:	C[6,6a]-3:C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]O)(H)	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(C[6]C[6]H){1|C<4>,3|C<3>,9|H<1>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]O)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	123.1900	0.000	1	123.1900	0.000	1	123.1900	0.000	1	123.1900	0.000	1	123.0934	8.583	38	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6,6]	C[6]	4:4:3:	3:4:3:4:	3:4:3:	C[5,6,6]-4:C[5]-4:C[6]-3:	C[6,6]-3:C[5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:C[6]-4:C-3:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]O[5]HH)(C[6]C[6]C)	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]H)(C[5,6]C[5]C[6])(CH3)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(COO)	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]O[5]HH)(C[6]C[6]C){1|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]H)(C[5,6]C[5]C[6])(CH3){1|C<3>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(COO){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	120.8905	0.209	2	120.8905	0.044	2	120.8905	0.044	2	120.8905	0.044	2	123.0934	8.583	38	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6,6]	C[6]	4:4:3:	3:4:4:4:	3:4:1:	C[5,6,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]H)	C[5,6,6](C[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]O[5]HO)(C[6]C[6]HO)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HO)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]H){3|C<4>,3|O<2>,4|H<1>}	C[5,6,6](C[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]O[5]HO)(C[6]C[6]HO){1|O<2>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HO)(H){2|O<2>,3|C<4>,3|H<1>}	125.3920	0.000	1	125.3920	0.000	1	125.3920	0.000	1	125.3920	0.000	1	123.0934	8.583	38	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6,6]	C[6]	4:4:3:	4:3:2:2:	3:4:1:	C[5,6,6]-4:C[5]-4:C[6]-3:	C[6,6]-4:C[5,6]-3:O[5]-2:O[6]-2:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6,6]C[6,6]O[5]O[6])(C[5]C[5]CC)(C[6]C[6]H)	C[5,6,6](C[6,6]C[6,6]CH)(C[5,6]C[5]C[6])(O[5]C[5])(O[6]C[6])	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)	C[5,6](C[5,6,6]C[6,6]O[5]O[6])(C[5]C[5]CC)(C[6]C[6]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6,6](C[6,6]C[6,6]CH)(C[5,6]C[5]C[6])(O[5]C[5])(O[6]C[6]){1|O<1>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	121.1470	0.000	1	121.1470	0.000	1	121.1470	0.000	1	121.1470	0.000	1	123.0934	8.583	38	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6,6]	C[6]	4:4:3:	4:3:4:1:	3:3:1:	C[5,6,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:C[5,6]-3:C[6,6]-4:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H)	C[5,6,6](C[5,6]C[6,6]O[5]H)(C[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H){2|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[5,6]C[6,6]O[5]H)(C[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){3|C<3>,6|H<1>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]H)(H){1|O<2>,2|C<4>,4|H<1>}	118.2020	0.000	1	118.2020	0.000	1	118.2020	0.000	1	118.2020	0.000	1	123.0934	8.583	38	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6,6]	C[6]	4:4:3:	4:4:3:1:	3:4:1:	C[5,6,6]-4:C[5]-4:C[6]-3:	C[6,6]-4:N[5,6]-4:C[5,6]-3:H-1:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]H)	C[5,6,6](C[6,6]C[6,6a]C[6]H)(N[5,6]C[5]C[6]O)(C[5,6]C[5]C[6])(H)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HO)(H)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5,6,6](C[6,6]C[6,6a]C[6]H)(N[5,6]C[5]C[6]O)(C[5,6]C[5]C[6])(H){1|C<4>,1|O<2>,2|C<3>,8|H<1>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HO)(H){1|N<4>,1|O<2>,2|C<4>,4|H<1>}	120.4500	0.000	1	120.4500	0.000	1	120.4500	0.000	1	120.4500	0.000	1	123.0934	8.583	38	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6,6]	3:4:3:	3:3:2:4:	3:3:3:	C[6,6]-3:C[5,6]-4:C[5]-3:	C[5,6]-3:C[6]-3:O[5]-2:C-4:	C[5,6]-3:C[6,6]-3:C[6]-3:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]C)(C[5]C[5]C)	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]O)(O[5]C[5])(CH3)	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2)(C[6]O[6]H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]C)(C[5]C[5]C){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	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[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2)(C[6]O[6]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	114.9885	0.542	2	114.9885	0.294	2	114.9885	0.294	2	114.9885	0.294	2	123.2244	10.931	17	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6,6]	3:4:3:	3:4:3:1:	4:3:4:	C[6,6]-3:C[5,6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6,6]-4:C[5,6]-3:C[6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]O[5]O)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]O[5]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]O[5]O){1|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]O[5]H)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	125.3845	0.165	2	125.3845	0.027	2	125.3845	0.027	2	125.3845	0.027	2	123.2244	10.931	17	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6,6]	3:4:3:	3:4:4:4:	4:3:4:	C[6,6]-3:C[5,6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[6,6]-4:C[5,6]-3:C[6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]O)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]O){1|O<2>,4|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5,6]C[5])(C[6]C[6]HH){1|O<1>,4|H<1>,7|C<4>}	125.2900	0.000	1	125.2900	0.000	1	125.2900	0.000	1	125.2900	0.000	1	123.2244	10.931	17	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6,6]	3:4:4:	3:4:4:1:	3:3:4:	C[6,6]-3:C[5,6]-4:C[5]-4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-3:C[6,6]-4:	C[5,6](C[6,6]C[6,6a]C[6,6])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)	C[5,6](C[5,6]C[6,6]C[5])(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6,6]C[6]2C)	C[5,6](C[6,6]C[6,6a]C[6,6])(C[5,6]C[5]C[6]H)(C[5]N[5]HH){1|S<4>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6,6]C[6]2C){1|N<3>,1|O<2>,2|C<3>,2|C<4>,8|H<1>}	122.9060	0.000	1	122.9060	0.000	1	122.9060	0.000	1	122.9060	0.000	1	123.2244	10.931	17	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6,6]	3:4:4:	3:4:4:4:	3:4:4:	C[6,6]-3:C[5,6]-4:C[5]-4:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-3:C[6,6]-4:C[6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]O[5]HH)	C[5,6](C[5,6]C[6,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2C)(C[6]N[6]HH)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]O[5]HH){1|N<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH)(CH3){2|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2C)(C[6]N[6]HH){1|O<2>,1|S<4>,4|C<4>,6|H<1>}	125.0460	0.000	1	125.0460	0.000	1	125.0460	0.000	1	125.0460	0.000	1	123.2244	10.931	17	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6,6]	3:4:4:	3:4:4:4:	4:3:3:	C[6,6]-3:C[5,6]-4:C[5]-4:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[6,6]-4:C[5,6]-3:C[6]-3:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH){1|C<3>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]H){5|H<1>,7|C<4>}	124.6410	0.000	1	124.6410	0.000	1	123.4322	2.204	5	123.4322	2.204	5	123.2244	10.931	17	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6,6]	3:4:4:	3:4:4:4:	4:3:3:	C[6,6]-3:C[5,6]-4:C[5]-4:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[6,6]-4:C[5,6]-3:C[6]-3:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]O)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH){1|C<2>,1|O<1>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]O){2|C<3>,5|C<4>,6|H<1>}	122.4090	0.613	3	122.4090	0.376	3	123.4322	2.204	5	123.4322	2.204	5	123.2244	10.931	17	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6,6]	3:4:4:	3:4:4:4:	4:3:3:	C[6,6]-3:C[5,6]-4:C[5]-4:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[6,6]-4:C[5,6]-3:C[6]-3:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5,6]C[5])(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5,6]C[5])(C[6]C[6]H){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	125.2930	0.000	1	125.2930	0.000	1	123.4322	2.204	5	123.4322	2.204	5	123.2244	10.931	17	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6,6]	3:4:4:	3:4:4:4:	4:3:4:	C[6,6]-3:C[5,6]-4:C[5]-4:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[6,6]-4:C[5,6]-3:C[6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH){1|O<2>,4|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]C[5])(C[6]C[6]HH){2|O<2>,4|H<1>,7|C<4>}	124.4780	0.240	4	124.4780	0.058	4	124.7332	0.369	5	124.7332	0.369	5	123.2244	10.931	17	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6,6]	3:4:4:	3:4:4:4:	4:3:4:	C[6,6]-3:C[5,6]-4:C[5]-4:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[6,6]-4:C[5,6]-3:C[6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH){4|C<4>,8|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH){6|H<1>,7|C<4>}	125.7540	0.000	1	125.7540	0.000	1	124.7332	0.369	5	124.7332	0.369	5	123.2244	10.931	17	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	3:4:2:	3:2:4:1:	3:3:3:	C[6]-3:C[5,6]-4:N[5]-2:	C[5,6]-3:O[6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-3:C[5a]-3:	C[5,6](C[6]C[6,6a]C[5a])(C[5,6]C[5]O[6]H)(N[5]C[5])	C[5,6](C[5,6]C[6]N[5])(O[6]C[6,6a])(C[5]C[5]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(C[5a]C[5a]N[5a])	C[5,6](C[6]C[6,6a]C[5a])(C[5,6]C[5]O[6]H)(N[5]C[5]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6](C[5,6]C[6]N[5])(O[6]C[6,6a])(C[5]C[5]CH)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(C[5a]C[5a]N[5a]){1|C<4>,1|F<1>,1|O<2>,3|H<1>,5|C<3>}	118.7130	0.030	2	118.7130	0.001	2	118.7130	0.001	2	118.7130	0.001	2	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	3:4:2:	3:4:3:1:	3:3:3:	C[6]-3:C[5,6]-4:N[5]-2:	C[5,6]-3:C[6]-4:N[5]-3:H-1:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6](C[6]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(N[5]C[5])	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]HH)(N[5]C[5]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(C[6a]C[6a]2)	C[5,6](C[6]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(N[5]C[5]){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]HH)(N[5]C[5]C)(H){1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(C[6a]C[6a]2){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	121.8820	0.000	1	121.8820	0.000	1	121.8820	0.000	1	121.8820	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	3:4:3:	3:2:4:3:	3:3:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:O[5]-2:C[6]-4:C-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]C)(C[6]C[6]H)	C[5,6](C[5,6]C[5,6a]C[6])(O[5]C[5,6a])(C[6]C[6]CH)(COO)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]O)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]C)(C[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6a]C[6])(O[5]C[5,6a])(C[6]C[6]CH)(COO){3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	122.8800	0.000	1	122.8800	0.000	1	122.8800	0.000	1	122.8800	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	3:4:3:	3:3:3:4:	3:4:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	N[5a,6]-3:C[5,6]-3:N[5]-3:C-4:	C[5,6]-3:C[6]-4:H-1:	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)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[5a,6]HH)(H)	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>}	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>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[5a,6]HH)(H){1|C<4>,2|N<3>,3|C<3>}	119.0260	0.000	1	119.0260	0.000	1	119.0260	0.000	1	119.0260	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	3:4:3:	3:3:3:4:	3:4:4:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:C-4:	C[5,6]-3:C[6]-4:C-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]C)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]H)(CH3)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]C){1|O<1>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]H)(CH3){2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(CH3){2|C<4>,4|C<3>}	122.3880	0.000	1	122.3880	0.000	1	122.3880	0.000	1	122.3880	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	3:4:3:	3:3:4:1:	3:3:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6]C[6]H)	C[5,6](C[5,6]C[5,6a]C[6])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HO)(H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6]C[6]H){1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HO)(H){1|H<1>,1|O<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	121.7390	0.436	2	121.7390	0.190	2	121.7390	0.190	2	121.7390	0.190	2	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	3:4:3:	3:3:4:1:	3:3:4:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-3:C[6]-3:C-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6]C[6]C)	C[5,6](C[5,6]C[5,6a]C[6])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HO)(H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]H)(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6]C[6]C){1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HO)(H){1|C<4>,1|O<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	122.9130	0.000	1	122.9130	0.000	1	122.9130	0.000	1	122.9130	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	3:4:3:	3:3:4:1:	3:4:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:N[5]-3:C[6]-4:H-1:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]H)	C[5,6](C[5,6]C[5,6a]C[6])(N[5]C[5,6a]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6a]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]H){4|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(N[5]C[5,6a]C)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6a]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	121.1890	0.000	1	121.1890	0.000	1	121.1890	0.000	1	121.1890	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	3:4:3:	3:3:4:4:	3:3:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-4:C-4:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]HH)(CCHH)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]O)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]H){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]HH)(CCHH){3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]O)(H){2|C<4>,2|H<1>,3|C<3>}	123.0030	0.000	1	123.0030	0.000	1	123.0030	0.000	1	122.7155	0.165	2	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	3:4:3:	3:3:4:4:	3:3:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:N[5,6]-3:C[5]-4:C-4:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]C)(C[6]C[6]H)	C[5,6](C[5,6]C[5,6a]C[6])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HO)(CH3)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]C)(C[6]C[6]H){1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HO)(CH3){1|H<1>,1|O<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]H)(H){1|N<3>,2|C<4>,3|C<3>}	122.4280	0.000	1	122.4280	0.000	1	122.4280	0.000	1	122.7155	0.165	2	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	3:4:3:	3:3:4:4:	3:3:4:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:N[5,6]-3:C[5]-4:C-4:	C[5,6]-3:C[6]-3:C-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]C)(C[6]C[6]C)	C[5,6](C[5,6]C[5,6a]C[6])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HO)(CH3)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]H)(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]C)(C[6]C[6]C){1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HO)(CH3){1|C<4>,1|O<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]H)(CH3){1|N<3>,2|C<4>,3|C<3>}	121.9850	0.000	1	121.9850	0.000	1	121.9850	0.000	1	121.9850	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	3:4:3:	3:4:3:1:	3:4:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:C[5]-4:N[6]-3:H-1:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]H)(C[6]C[6]H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(N[6]C[6]C)(H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HO)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]H)(C[6]C[6]H){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(N[6]C[6]C)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HO)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	122.6090	0.000	1	122.6090	0.000	1	122.6090	0.000	1	122.6090	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	3:4:3:	3:4:3:3:	3:3:4:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:C[6]-4:N[5]-3:C-3:	C[5,6]-3:C[5,6]-3:C-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]C)(C[6]C[5,6]C)	C[5,6](C[5,6]C[5,6a]C[6])(C[6]C[5,6]CC)(N[5]C[5,6a]C)(CHH)	C[6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5])(CCCH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]C)(C[6]C[5,6]C){1|H<1>,3|C<4>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(C[6]C[5,6]CC)(N[5]C[5,6a]C)(CHH){2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5])(CCCH){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	121.9250	0.000	1	121.9250	0.000	1	121.9250	0.000	1	121.9250	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	3:4:3:	3:4:3:4:	3:3:1:	C[5,6]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]C)(C[6]C[6,6a]O)	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6,6a]O)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2)(O)	C[5,6](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]C)(C[6]C[6,6a]O){1|O<1>,2|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6,6a]O)(CH3){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2)(O){1|H<1>,2|C<4>,5|C<3>}	114.9390	0.000	1	114.9390	0.000	1	114.9390	0.000	1	116.1490	2.928	2	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	3:4:3:	3:4:3:4:	3:3:1:	C[5,6]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[6,6]-3:C[5,6]-3:H-1:	C[5,6](C[5,6]N[5,6]C[6])(C[5,6]C[5]C[6]C)(C[6]C[6,6]H)	C[5,6](C[5,6]C[5,6]C[6])(C[6]C[6,6]HH)(C[5]N[5,6]O)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]2)(H)	C[5,6](C[5,6]N[5,6]C[6])(C[5,6]C[5]C[6]C)(C[6]C[6,6]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6])(C[6]C[6,6]HH)(C[5]N[5,6]O)(CH3){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]2)(H){1|N<3>,2|C<3>,3|H<1>,4|C<4>}	117.3590	0.000	1	117.3590	0.000	1	117.3590	0.000	1	116.1490	2.928	2	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	3:4:3:	3:4:3:4:	3:4:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6a]C[6])(CH3)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]CC)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]H){2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6a]C[6])(CH3){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]CC)(H){1|H<1>,2|C<4>,3|C<3>}	123.5640	0.000	1	123.5640	0.000	1	123.5640	0.000	1	123.5640	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	3:4:3:	3:4:4:1:	3:3:2:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[6]-3:S-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]S)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]O[6]O)(SC)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]S){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]O[6]HH)(H){1|S<2>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]O[6]O)(SC){1|H<1>,2|C<3>,2|C<4>}	117.9240	0.000	1	117.9240	0.000	1	117.9240	0.000	1	117.9240	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	3:4:3:	3:4:4:1:	3:4:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]O[6]CC)(H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]O[6]CC)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]O[6]CC)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]O[6]CC)(H){1|H<1>,2|C<3>,2|C<4>}	121.4283	1.209	6	121.4283	1.461	6	121.4129	1.219	7	121.4129	1.219	7	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	3:4:3:	3:4:4:1:	3:4:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HO)(C[6]O[6]CC)(H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]O[6]CC)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HO)(C[6]O[6]CC)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]O[6]CC)(H){1|H<1>,2|C<3>,2|C<4>}	121.3200	0.000	1	121.3200	0.000	1	121.4129	1.219	7	121.4129	1.219	7	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	3:4:3:	3:4:4:1:	3:4:2:	C[5,5a]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[6]-4:N-2:	C[5,6](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5]C[6]H)(C[6]C[6]N)	C[5,6](C[5,6]C[5,5a]C[6])(C[5]C[5,5a]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5a]C[5,6])(C[6]C[6]CC)(NC)	C[5,6](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5]C[6]H)(C[6]C[6]N){1|N<3>,2|H<1>,3|C<3>,4|C<4>}	C[5,6](C[5,6]C[5,5a]C[6])(C[5]C[5,5a]CC)(C[6]C[6]HH)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[5,6]C[5,5a]C[5,6])(C[6]C[6]CC)(NC){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	121.7390	0.000	1	121.7390	0.000	1	121.7390	0.000	1	121.7390	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	3:4:3:	3:4:4:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[6]-4:C-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]C)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(CC[6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]C){2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]HH)(H){1|C<4>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(CC[6a]O){1|H<1>,2|C<4>,4|C<3>}	122.6960	0.000	1	122.6960	0.000	1	122.6960	0.000	1	122.6960	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	3:4:3:	3:4:4:1:	3:4:4:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[6]-4:C-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]C)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(CHHO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]C){2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(CHHO){2|C<3>,2|C<4>,3|H<1>}	123.0895	0.211	2	123.0895	0.045	2	123.0895	0.045	2	122.9877	0.053	3	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	3:4:3:	3:4:4:1:	3:4:4:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[6]-4:P-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]P)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(PC[6a]2O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]P){2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]HH)(H){1|C<4>,1|P<4>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(PC[6a]2O){1|H<1>,2|C<4>,4|C<3>}	122.7840	0.000	1	122.7840	0.000	1	122.7840	0.000	1	122.9877	0.053	3	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	3:4:3:	4:3:3:1:	3:3:3:	C[6]-3:C[5,6]-4:C[5]-3:	C[6]-4:C[5,6]-3:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6](C[6]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)	C[5,6](C[6]C[6,6a]C[6a]2)(C[5,6]C[5]C[6])(C[5]N[5]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)	C[5,6](C[6]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]O){1|C<4>,1|O<1>,6|C<3>}	C[5,6](C[6]C[6,6a]C[6a]2)(C[5,6]C[5]C[6])(C[5]N[5]O)(H){1|C<4>,1|O<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	121.6400	0.000	1	121.6400	0.000	1	121.6400	0.000	1	121.6400	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	3:4:3:	4:3:3:1:	3:3:4:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-4:C[5,6]-3:N[5]-3:H-1:	C[5,6]-3:C[6a]-3:C[6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6]C[6a]C[6])	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6a]C[6])(N[5]C[5,6a]H)(H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6]C[6a]C[6]){1|C<4>,4|H<1>,6|C<3>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6a]C[6])(N[5]C[5,6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	118.2430	0.000	1	118.2430	0.000	1	118.2430	0.000	1	118.2430	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	3:4:3:	4:3:3:1:	3:4:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	B[5]-4:C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5,6]-4:H-1:	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)	C[6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]B[5]H)(H)	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>}	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>}	C[6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]B[5]H)(H){1|B<4>,1|H<1>,7|C<3>}	126.2410	0.000	1	126.2410	0.000	1	126.2410	0.000	1	122.0215	35.608	2	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	3:4:3:	4:3:3:1:	3:4:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-4:C[5,6]-3:N[5]-3:H-1:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6]C[6]H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6a]C[6])(N[5]C[5,6a]S)(H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6]C[6]H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6a]C[6])(N[5]C[5,6a]S)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]HH)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	117.8020	0.000	1	117.8020	0.000	1	117.8020	0.000	1	122.0215	35.608	2	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	3:4:3:	4:3:3:4:	3:3:1:	C[5,6]-3:C[5,6]-4:C[6]-3:	C[6]-4:C[5,6]-3:C[5]-3:C-4:	C[6,6]-3:C[5,6]-3:H-1:	C[5,6](C[5,6]N[5,6]C[6])(C[5,6]C[5]C[6]C)(C[6]C[6,6]H)	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5,6]C[6])(C[5]N[5,6]O)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]2)(H)	C[5,6](C[5,6]N[5,6]C[6])(C[5,6]C[5]C[6]C)(C[6]C[6,6]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5,6]C[6])(C[5]N[5,6]O)(CH3){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]2)(H){1|N<3>,2|C<3>,3|H<1>,4|C<4>}	119.3530	0.000	1	119.3530	0.000	1	119.3530	0.000	1	119.3530	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	3:4:3:	4:3:4:1:	3:4:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[6,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6,6]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6,6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	122.0375	0.340	2	122.0375	0.116	2	122.0375	0.116	2	122.0375	0.116	2	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	3:4:3:	4:3:4:1:	3:4:4:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-3:C[6]-4:C-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6]C[6]C)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CH)(H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6]C[6]C){1|C<4>,4|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(CH3){2|C<4>,2|H<1>,3|C<3>}	123.8520	0.448	2	123.8520	0.201	2	123.8520	0.201	2	123.8520	0.201	2	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	3:4:3:	4:3:4:4:	3:3:2:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-4:C[5,6]-3:S[5]-4:C-4:	C[5,6]-3:C[6]-3:C-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]S[5]C)(C[6]C[6]C)	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO)(CCHH)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]C)(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]S[5]C)(C[6]C[6]C){1|C<2>,1|C<4>,1|H<1>,1|S<4>,2|O<1>,3|C<3>}	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO)(CCHH){1|C<2>,2|O<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]C)(CN){1|S<4>,2|C<4>,3|C<3>}	116.6775	0.104	2	116.6775	0.011	2	116.6775	0.011	2	116.6775	0.011	2	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:2:3:	3:3:3:4:	3:3:1:	C[5,6]-4:O[5]-2:C[6]-3:	C[5,6a]-3:C[5,6]-3:C[6]-3:C-4:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]C[5,6a]C[6]C)(O[5]C[5,6a])(C[6]C[6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(C[6]C[6]O)(CH3)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5,6a]C[6]C)(O[5]C[5,6a])(C[6]C[6]H){2|O<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(C[6]C[6]O)(CH3){1|H<1>,1|O<2>,4|C<3>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(H){1|C<4>,4|C<3>}	124.7844	0.460	5	124.7844	0.212	5	124.7844	0.212	5	124.7844	0.212	5	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:2:3:	3:3:4:1:	3:4:4:	C[5,6]-4:O[5]-2:C[6]-3:	C[5,6a]-3:C[5,6]-3:C[6,6]-4:H-1:	C[5,6]-3:C[6]-4:C-4:	C[5,6](C[5,6]C[5,6a]C[6,6]H)(O[5]C[5,6a])(C[6]C[6]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(C[6,6]C[6]3)(H)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,6a]C[6,6]H)(O[5]C[5,6a])(C[6]C[6]C){1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(C[6,6]C[6]3)(H){2|C<4>,2|H<1>,2|O<1>,2|O<2>,3|C<3>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(CH3){1|C<4>,2|H<1>,3|C<3>}	127.9890	0.000	1	127.9890	0.000	1	127.9890	0.000	1	127.9890	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:2:3:	3:4:3:2:	3:4:2:	C[5,6]-4:N[5]-2:C[6]-3:	N[5,6]-3:C[6]-4:C[5,6]-3:C-2:	C[5,6]-3:C[6]-4:C-2:	C[5,6](C[5,6]N[5,6]C[6]C)(N[5]C[5,6])(C[6]C[6]C)	C[5,6](N[5,6]C[5,6]C[6])(C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(CN)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CH)(CN)	C[5,6](C[5,6]N[5,6]C[6]C)(N[5]C[5,6])(C[6]C[6]C){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[5,6](N[5,6]C[5,6]C[6])(C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(CN){1|C<2>,1|C<4>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CH)(CN){1|C<2>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	119.5460	0.000	1	119.5460	0.000	1	119.5460	0.000	1	119.5460	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:2:3:	3:4:3:4:	3:3:4:	C[5,6]-4:N[5]-2:C[6]-3:	C[5,6a]-3:C[4,6]-4:C[5,6]-3:C-4:	C[5,6]-3:C[6]-3:C-4:	C[5,6](C[5,6]C[5,6a]C[4,6]C)(N[5]C[5,6a])(C[6]C[6]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[4,6]C[4,6]2H)(C[5,6]C[6]N[5])(CH3)	C[6](C[5,6]C[5,6]N[5])(C[6]C[4,6]H)(CH3)	C[5,6](C[5,6]C[5,6a]C[4,6]C)(N[5]C[5,6a])(C[6]C[6]C){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[4,6]C[4,6]2H)(C[5,6]C[6]N[5])(CH3){3|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[4,6]H)(CH3){1|H<1>,2|C<3>,3|C<4>}	119.8988	0.683	4	119.8988	0.467	4	119.8988	0.467	4	122.8134	13.857	7	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:2:3:	3:4:3:4:	3:3:4:	C[5,6]-4:O[5]-2:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5,6]-3:C[6]-3:C-4:	C[5,6](C[5,6]C[5]C[6]C)(O[5]C[5,6])(C[6]C[6]C)	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,6]HH)(C[6]C[6]C)(CH3)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(O[5]C[5,6])(C[6]C[6]C){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,3|C<4>}	127.3040	0.508	2	126.6997	1.225	3	126.6997	1.225	3	122.8134	13.857	7	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:2:3:	3:4:3:4:	3:3:4:	C[5,6]-4:O[5]-2:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5,6]-3:C[6]-3:C-4:	C[5,6](C[5,6]C[5]C[6]C)(O[5]C[5,6])(C[6]C[6]C)	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,6]HH)(C[6]C[6]C)(CH3)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(O[5]C[5,6])(C[6]C[6]C){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,6]HH)(C[6]C[6]C)(CH3){2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(CH3){2|C<3>,3|C<4>}	125.4910	0.000	1	126.6997	1.225	3	126.6997	1.225	3	122.8134	13.857	7	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:2:3:	3:4:4:4:	3:3:4:	C[5,6]-4:O[5]-2:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-3:C[6]-3:C-4:	C[5,6](C[5,6]C[5]C[6]C)(O[5]C[5,6])(C[6]C[6]C)	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,6]HH)(C[6]C[6]CH)(CH3)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(O[5]C[5,6])(C[6]C[6]C){1|O<1>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,6]HH)(C[6]C[6]CH)(CH3){1|H<1>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,4|C<4>}	125.9770	0.000	1	125.9770	0.000	1	125.9770	0.000	1	125.9770	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:2:3:	4:3:4:4:	3:3:1:	C[5,6]-4:O[5]-2:C[6]-3:	C[5,6]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(C[6]C[6]H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5])(C[6]C[6]CH)(CH3)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(C[6]C[6]H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5])(C[6]C[6]CH)(CH3){2|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(H){6|C<4>}	124.3060	0.000	1	124.3060	0.000	1	124.3060	0.000	1	124.3060	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:2:	3:3:2:3:	3:2:2:	C[5,6]-4:C[6]-3:C[5]-2:	C[5,6]-3:C[5]-3:C[6]-2:C-3:	C[5,6]-3:C[6]-2:C-2:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]C)(C[5]C[5])	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]C)(C[6]C[6])(CHH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6])(CC)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]C)(C[5]C[5]){1|C<2>,1|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]C)(C[6]C[6])(CHH){2|C<2>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6])(CC){2|C<2>,2|C<3>}	111.5820	0.000	1	111.5820	0.000	1	111.5820	0.000	1	111.5820	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:2:	3:3:2:4:	3:3:4:	C[5,6]-4:C[6]-3:N[5]-2:	C[5,6]-3:C[6]-3:O[5]-2:C-4:	C[5,6]-3:C[6]-3:C-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]C)(N[5]P[5])	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]N[5])(C[6]C[6]H)(CC3)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]C)(N[5]P[5]){1|Cl<1>,1|C<3>,1|O<1>,2|H<1>}	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]N[5])(C[6]C[6]H)(CC3){1|C<3>,1|O<2>,1|P<4>,2|C<4>}	117.6830	0.000	1	117.6830	0.000	1	117.6830	0.000	1	117.6830	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:2:	3:3:3:4:	3:3:3:	C[5,6]-4:C[6]-3:O[5]-2:	C[5,6a]-3:C[5,6]-3:C[6]-3:C-4:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6]C[6,6a]C[6a])(O[5]C[5,6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(C[6]C[6,6a]O)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5])(C[6a]C[6a]2)	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6]C[6,6a]C[6a])(O[5]C[5,6a]){1|O<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(C[6]C[6,6a]O)(CCHH){1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	125.7560	0.000	1	125.7560	0.000	1	125.7560	0.000	1	125.7560	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:2:	3:3:3:4:	3:3:4:	C[5,6]-4:C[6]-3:N[5]-2:	C[5,6]-3:C[5]-3:C[6]-3:C-4:	C[5,6]-3:C[6]-3:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]C)(N[5]C[5])	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]N)(C[6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]C)(N[5]C[5]){1|N<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]N)(C[6]C[6]H)(CH3){2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(CH3){2|C<4>,3|C<3>}	121.0220	0.000	1	121.0220	0.000	1	121.0220	0.000	1	121.0220	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:2:	3:3:4:3:	3:3:3:	C[5,6]-4:C[6]-3:O[5]-2:	C[5,6]-3:C[6a]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6a]-3:C[6]-3:	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6a]C[6])(O[5]C[5])	C[5,6](C[5,6]C[6]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]C)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6a]C[6])(O[5]C[5]){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[5,6](C[5,6]C[6]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]O){4|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]C){2|C<4>,3|H<1>,4|C<3>}	125.1145	0.039	2	125.1145	0.002	2	125.1145	0.002	2	125.1145	0.002	2	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:2:	3:4:2:2:	3:3:1:	C[5,6]-4:C[6]-3:O[5]-2:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6]H)(O[5]C[5])	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]HP)(O[5]C[5])(OC)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(H)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6]H)(O[5]C[5]){1|C<4>,1|O<1>,1|P<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]HP)(O[5]C[5])(OC){1|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(H){2|C<4>,2|H<1>,2|O<2>}	125.7990	0.000	1	125.7990	0.000	1	125.7990	0.000	1	125.7990	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:2:	3:4:2:4:	3:3:1:	C[5,6]-4:C[6]-3:O[5]-2:	C[5,6]-3:C[6]-4:O[5]-2:C-4:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]H)(O[5]C[5])	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]HH)(O[5]C[5])(CCCH)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(H)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]H)(O[5]C[5]){1|C<4>,1|O<1>,4|H<1>}	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]HH)(O[5]C[5])(CCCH){1|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(H){1|O<2>,2|H<1>,3|C<4>}	125.4530	0.000	1	125.4530	0.000	1	125.4530	0.000	1	125.4530	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:2:	3:4:3:1:	3:3:4:	C[5,6]-4:C[6]-3:O[5]-2:	C[5,6a]-3:C[6]-4:C[5,6]-3:H-1:	C[5,6]-3:C[5a]-3:C[6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[5a]C[6])(O[5]C[5,6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a]2C[6])(C[5,6]C[6]O[5])(H)	C[6](C[5,6]C[5,6]O[5])(C[5a]C[5a]O[5a])(C[6]C[6]HH)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[5a]C[6])(O[5]C[5,6a]){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a]2C[6])(C[5,6]C[6]O[5])(H){1|C<4>,2|O<2>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]O[5])(C[5a]C[5a]O[5a])(C[6]C[6]HH){1|C<4>,4|C<3>,4|H<1>}	126.4110	0.000	1	126.4110	0.000	1	126.4110	0.000	1	126.4110	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:2:	3:4:3:2:	3:3:1:	C[5,6]-4:C[6]-3:O[5]-2:	C[5,6]-3:C[5]-4:C[6]-3:O-2:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]H)(O[5]C[5])	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]CH)(C[6]C[6]H)(OC)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]H)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]CH)(C[6]C[6]H)(OC){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(H){1|C<3>,1|O<2>,3|C<4>}	125.5000	0.000	1	125.5000	0.000	1	125.5000	0.000	1	125.5000	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:2:	3:4:4:1:	3:3:4:	C[5,6]-4:C[6]-3:O[5]-2:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[6a]-3:C[6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(O[5]Si[5])	C[5,6](C[5,6]C[6]O[5])(C[5]Si[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(O[5]Si[5]){2|C<3>,4|H<1>,5|C<4>}	C[5,6](C[5,6]C[6]O[5])(C[5]Si[5]CH)(C[6]C[6]CH)(H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]HH){1|Si<4>,2|C<4>,3|C<3>,4|H<1>}	126.9880	0.000	1	126.4900	0.496	2	126.4900	0.496	2	126.4900	0.496	2	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:2:	3:4:4:1:	3:3:4:	C[5,6]-4:C[6]-3:O[5]-2:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[6a]-3:C[6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(O[5]Si[5])	C[5,6](C[5,6]C[6]O[5])(C[5]Si[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(O[5]Si[5]){3|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]O[5])(C[5]Si[5]CH)(C[6]C[6]CH)(H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]HH){1|Si<4>,2|C<4>,3|C<3>,4|H<1>}	125.9920	0.000	1	126.4900	0.496	2	126.4900	0.496	2	126.4900	0.496	2	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:2:	3:4:4:4:	3:3:1:	C[5,6]-4:C[6]-3:O[5]-2:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]H)(O[5]C[5])	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(CC[6]HH)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]H)(O[5]C[5]){1|O<1>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(CC[6]HH){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(H){2|H<1>,4|C<4>}	126.7680	0.000	1	126.7680	0.000	1	126.7680	0.000	1	126.7680	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:2:	4:3:2:1:	3:2:4:	C[5,6]-4:C[6]-3:O[5]-2:	C[5,6]-4:C[5,6]-3:O[5]-2:H-1:	C[5,6]-3:O[6]-2:C-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]C)(O[5]C[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5])(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5])(O[6]C[5,6])(CHHO)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]C)(O[5]C[5]){1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5])(O[5]C[5])(H){1|H<1>,2|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]O[5])(O[6]C[5,6])(CHHO){2|C<4>,2|H<1>,2|O<2>}	111.7170	0.000	1	111.7170	0.000	1	111.7170	0.000	1	111.7170	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:2:	4:3:2:3:	3:3:3:	C[5,6]-4:C[6]-3:N[5]-2:	C[5,6]-4:C[5,6]-3:O[6]-2:C[5]-3:	C[6,6a]-3:C[5,6]-3:C[5a]-3:	C[5,6](C[5,6]C[5,6]C[5]O[6])(C[6]C[6,6a]C[5a])(N[5]C[5])	C[5,6](C[5,6]C[5,6]C[5]O[6])(C[5,6]C[6]N[5])(O[6]C[6,6a])(C[5]C[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(C[5a]C[5a]N[5a])	C[5,6](C[5,6]C[5,6]C[5]O[6])(C[6]C[6,6a]C[5a])(N[5]C[5]){1|N<3>,1|O<1>,1|O<2>,6|C<3>}	C[5,6](C[5,6]C[5,6]C[5]O[6])(C[5,6]C[6]N[5])(O[6]C[6,6a])(C[5]C[5]O){1|N<2>,1|O<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(C[5a]C[5a]N[5a]){1|C<4>,1|F<1>,1|O<2>,2|H<1>,6|C<3>}	119.0500	0.000	1	119.0500	0.000	1	119.0500	0.000	1	119.0500	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:2:	4:3:3:1:	4:3:1:	C[5,6]-4:C[6]-3:S[5]-2:	C[6]-4:C[5,6]-3:C[5]-3:H-1:	C[5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]H)(S[5]C[5])	C[5,6](C[6]C[5,6]C[6a]C)(C[5,6]C[6]S[5])(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]S[5])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]H)(S[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[6]C[5,6]C[6a]C)(C[5,6]C[6]S[5])(C[5]C[5]H)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]S[5])(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	120.7500	0.000	1	120.7500	0.000	1	120.7500	0.000	1	120.7500	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:2:	4:3:4:1:	3:4:3:	C[5,6]-4:C[6]-3:N[5]-2:	C[5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-3:C[6]-4:C-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]C)(N[5]N[5])	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[6]N[5])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(CC[6a]H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]C)(N[5]N[5]){1|C<4>,2|C<3>,5|H<1>}	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[6]N[5])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(CC[6a]H){1|N<3>,2|C<4>,3|H<1>}	120.3845	1.298	2	120.3845	1.684	2	120.6577	1.066	3	120.6577	1.066	3	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:2:	4:3:4:1:	3:4:3:	C[5,6]-4:C[6]-3:N[5]-2:	C[5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-3:C[6]-4:C-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]C)(N[5]N[5])	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[6]N[5])(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]N[5])(C[6]N[6]HH)(CC[6a]H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]C)(N[5]N[5]){1|N<3>,2|C<3>,5|H<1>}	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[6]N[5])(C[6]N[6]HH)(H){2|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]N[5])(C[6]N[6]HH)(CC[6a]H){1|H<1>,1|N<3>,3|C<4>}	121.2040	0.000	1	121.2040	0.000	1	120.6577	1.066	3	120.6577	1.066	3	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:3:	3:2:4:1:	3:3:1:	C[5,6]-4:C[6]-3:C[5]-3:	C[5,6]-3:O[6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-3:H-1:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]H)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]H)(C[5]C[5]O){2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]C[5]HH)(H){1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	121.0420	0.585	2	120.9467	0.199	3	120.9467	0.199	3	120.3812	1.411	4	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:3:	3:2:4:1:	3:3:1:	C[5,6]-4:C[6]-3:C[5]-3:	C[5,6]-3:O[6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-3:H-1:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]H)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]H)(C[5]C[5]O){2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]C[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	120.7560	0.000	1	120.9467	0.199	3	120.9467	0.199	3	120.3812	1.411	4	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:3:	3:2:4:1:	3:3:1:	C[5,6]-4:C[6]-3:C[5]-3:	C[5,6]-3:O[6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]O)(C[5]O[5]H)	C[5,6](C[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]O[5]CC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]O)(C[5]O[5]H){4|C<3>}	C[5,6](C[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]O[5]CC)(H){1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	118.6850	0.000	1	118.6850	0.000	1	118.6850	0.000	1	120.3812	1.411	4	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:3:	3:3:2:1:	3:3:1:	C[5,6]-4:C[5]-3:C[6]-3:	N[5,5a]-3:C[5,6]-3:O[6]-2:H-1:	C[6,6a]-3:C[5,6]-3:O-1:	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)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O)	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>}	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>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	116.4200	0.000	1	116.4200	0.000	1	116.4200	0.000	1	116.4200	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:3:	3:3:2:1:	3:3:2:	C[5,6]-4:C[5]-3:C[6]-3:	N[5,5a]-3:C[5,6]-3:O[6]-2:H-1:	C[6,6a]-3:C[5,6]-3:O-2:	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)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(OB)	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>}	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>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(OB){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	116.0000	0.324	2	116.0000	0.105	2	116.0000	0.105	2	116.0000	0.105	2	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:3:	3:3:3:2:	3:3:4:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-3:C-4:	C[5,6](C[5,6]C[5,6a]C[6a]O[6])(C[5]C[5,6a]O)(C[6]C[6,6a]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(CCHH)	C[5,6](C[5,6]C[5,6a]C[6a]O[6])(C[5]C[5,6a]O)(C[6]C[6,6a]C){6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6,6a]){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(CCHH){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	119.4240	0.000	1	119.4240	0.000	1	119.4240	0.000	1	119.4240	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[6]-3:C[5]-3:	C[5,6]-3:N[5]-3:N[6]-3:C[6a]-3:	C[5,6]-3:N[6]-3:C[6a]-3:	C[5,6](C[5,6]C[6a]N[5]N[6])(C[6]C[6a]N[6])(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(N[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[5,6]C[5,6]C[5])(N[6]C[6a]C[6])(C[6a]C[6a]2)	C[5,6](C[5,6]C[6a]N[5]N[6])(C[6]C[6a]N[6])(C[5]C[5]O){1|O<1>,8|C<3>}	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(N[6]C[6a]C[6])(C[6a]C[6a]2){1|N<3>,2|H<1>,3|O<1>,7|C<3>}	C[6](C[5,6]C[5,6]C[5])(N[6]C[6a]C[6])(C[6a]C[6a]2){2|H<1>,2|N<3>,2|O<1>,6|C<3>}	116.2480	0.344	2	116.2480	0.118	2	116.2480	0.118	2	116.9933	1.726	3	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[6]-3:C[5]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[6]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[5]C[5,6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[6a]C[6a]2)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[5,6](C[5,6]C[5,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[5]C[5,6a]H){1|H<1>,8|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[6a]C[6a]2){5|H<1>,8|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]H)(C[6a]C[6a]2){3|H<1>,7|C<3>}	118.4840	0.000	1	118.4840	0.000	1	118.4840	0.000	1	116.9933	1.726	3	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:3:	3:3:4:1:	3:3:4:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:C[6]-4:H-1:	C[5,6]-3:C[6]-3:C-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]C)(C[6]C[6]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(CH3)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]C)(C[6]C[6]C){2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]CH)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	117.7670	0.000	1	117.7670	0.000	1	117.7670	0.000	1	117.7670	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:3:	3:3:4:1:	3:4:1:	C[5,6]-4:C[6]-3:N[5]-3:	C[6,6a]-3:C[5,6]-3:C[5]-4:H-1:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]H)(N[5]C[5]S)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]Cl2)(H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6,6a]CH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]H)(N[5]C[5]S){2|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]Cl2)(H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6,6a]CH)(H){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	125.3030	0.000	1	125.3030	0.000	1	125.3030	0.000	1	125.4935	0.073	2	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:3:	3:3:4:1:	3:4:1:	C[5,6]-4:N[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:C[6]-4:H-1:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6a]C[6]H)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]H){3|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6a]C[6]H)(H){1|C<4>,1|H<1>,6|C<3>}	125.6840	0.000	1	125.6840	0.000	1	125.6840	0.000	1	125.4935	0.073	2	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:3:	3:3:4:3:	3:3:1:	C[5,6]-4:C[5,6a]-3:C[6]-3:	C[5,6]-3:N[5,6]-3:C[5]-4:C[6a]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]N[5,6]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)	C[5,6](C[5,6]C[5,6a]C[6])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HO)(C[6a]C[6a]2)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]H)(H)	C[5,6](C[5,6]N[5,6]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H){1|O<2>,3|H<1>,6|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HO)(C[6a]C[6a]2){1|O<1>,3|H<1>,7|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]H)(H){1|C<4>,1|N<3>,4|C<3>}	121.3813	0.052	3	121.3813	0.003	3	121.3813	0.003	3	121.3813	0.003	3	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:3:	3:3:4:4:	3:3:1:	C[5,6]-4:N[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]P)(C[6]C[6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)(CCHH)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]P)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)(CCHH){1|P<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]O)(H){1|P<4>,2|C<3>,2|C<4>,2|H<1>}	121.0140	1.327	2	121.0140	1.760	2	121.0140	1.760	2	121.0140	1.760	2	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:3:	3:3:4:4:	3:3:3:	C[5,6]-4:C[6]-3:C[5]-3:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C[5,6]-3:C[6a]-3:C[6]-3:	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6]C[6a]C[6])(C[5]C[5,6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]H)	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6]C[6a]C[6])(C[5]C[5,6a]H){1|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3){4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,4|C<3>,5|H<1>}	118.1270	0.000	1	118.1270	0.000	1	118.1270	0.000	1	118.1270	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:3:	3:4:3:1:	3:4:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-4:N[6]-3:H-1:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[5]N[6]H)(C[5]O[5]O)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HO)(N[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[5]O[5]O)(C[6]C[6]H){1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HO)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	124.3050	0.000	1	124.3050	0.000	1	124.3050	0.000	1	124.2670	0.003	3	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:3:	3:4:3:1:	3:4:1:	C[5,6]-4:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:N[6]-3:H-1:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]H)(N[5]C[5]S)	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(N[6]C[6]S)(H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]H)(N[5]C[5]S){1|C<4>,1|S<4>,6|H<1>}	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(N[6]C[6]S)(H){1|S<4>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H){1|N<3>,1|S<4>,2|H<1>,3|C<4>}	124.2480	0.068	2	124.2480	0.005	2	124.2480	0.005	2	124.2670	0.003	3	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:3:	3:4:3:3:	3:3:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-4:C[5]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[6a]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6,6a]O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HO)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6,6a]O){1|H<1>,1|O<2>,8|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HO)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O){1|C<4>,1|H<1>,6|C<3>}	119.5930	0.000	1	119.5930	0.000	1	119.5930	0.000	1	119.5930	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:3:	3:4:3:4:	3:3:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[6a]N[5])(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]N[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[6a]N[5])(C[6]C[6]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]N[5]O)(CH3){2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	118.6960	0.000	1	118.6960	0.000	1	118.6960	0.000	1	118.6960	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:3:	3:4:4:1:	3:3:4:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[6]-3:Si-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(C[6]C[6]Si)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]B[6]HH)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6a]B[6])(SiC3)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(C[6]C[6]Si){1|Si<4>,1|B<3>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]B[6]HH)(H){2|Si<4>,1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6a]B[6])(SiC3){1|H<1>,3|C<4>,4|C<3>}	118.0565	0.018	2	118.0565	0.000	2	118.0565	0.000	2	118.0565	0.000	2	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:3:	3:4:4:1:	3:4:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O)(C[6]C[6]H){1|C<3>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CC)(H){1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H){1|O<1>,3|C<4>,3|H<1>}	126.1370	0.000	1	126.1370	0.000	1	125.4800	1.028	3	125.3978	0.713	4	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:3:	3:4:4:1:	3:4:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]O)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]O[5]H)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]O)(C[6]C[6]H){3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]O[5]H)(C[6]C[6]CC)(H){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	124.3120	0.000	1	124.3120	0.000	1	125.4800	1.028	3	125.3978	0.713	4	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:3:	3:4:4:1:	3:4:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]O)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]SS)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]O)(C[6]C[6]H){1|C<4>,1|O<2>,2|S<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]SS)(H){1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	125.9910	0.000	1	125.9910	0.000	1	125.4800	1.028	3	125.3978	0.713	4	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:3:	3:4:4:1:	3:4:1:	C[5,6]-4:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]C)	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6a]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6a]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	125.1510	0.000	1	125.1510	0.000	1	125.1510	0.000	1	125.3978	0.713	4	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:3:	3:4:4:1:	3:4:4:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[6]-4:C[6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]2)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]2H)(C[6]N[6]HH)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]2){1|N<3>,2|C<4>,8|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(H){1|H<1>,1|S<4>,3|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]2H)(C[6]N[6]HH){1|C<3>,1|S<4>,5|C<4>,5|H<1>}	121.0060	0.000	1	121.9070	1.624	2	121.9070	1.624	2	121.9070	1.624	2	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:3:	3:4:4:1:	3:4:4:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[6]-4:C[6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]2)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]2H)(C[6]N[6]HH)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]2){1|N<3>,2|C<4>,9|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(H){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]2H)(C[6]N[6]HH){1|C<3>,1|S<4>,5|C<4>,5|H<1>}	122.8080	0.000	1	121.9070	1.624	2	121.9070	1.624	2	121.9070	1.624	2	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:3:	3:4:4:1:	4:3:1:	C[5,6]-4:C[6]-3:C[5]-3:	C[5,6]-3:C[6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]H)(C[5]O[5]O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]CH)(C[5]O[5]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]H)(C[5]O[5]O){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]CH)(C[5]O[5]CH)(H){1|O<1>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	126.1440	0.000	1	126.1440	0.000	1	126.1440	0.000	1	126.1440	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:3:	3:4:4:1:	4:3:4:	C[5,6]-4:C[6]-3:C[5]-3:	C[5,6]-3:C[6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]C)(C[5]C[5]H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(C[5]C[5]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]C)(C[5]C[5]H){2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(CH3){2|C<3>,3|C<4>,5|H<1>}	124.5620	0.000	1	124.5620	0.000	1	124.5620	0.000	1	124.5620	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:3:	3:4:4:2:	3:3:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]O[5])(C[5]C[5]H)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]N[5]H)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]O[5])(C[5]C[5]H)(C[6]C[6]H){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]N[5]H)(C[6]C[6]HH)(O[5]C[5]){1|Cl<1>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	117.8450	0.526	3	117.8450	0.276	3	117.8450	0.276	3	117.8478	0.139	5	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:3:	3:4:4:2:	3:3:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-4:C[5]-4:O-2:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]H)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[3]C[6]H)(C[5]C[5]CC)(OH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]H)(C[6]C[6]H){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[3]C[6]H)(C[5]C[5]CC)(OH){1|C<3>,2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|O<2>,3|C<4>,3|H<1>}	117.8520	0.068	2	117.8520	0.005	2	117.8520	0.005	2	117.8478	0.139	5	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:3:	3:4:4:3:	3:3:3:	C[5,6]-4:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:C-3:	C[5,6]-3:C[6a]-3:C[6]-3:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6a]C[6])(N[5]C[5]C)	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]O)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6a]C[6])(N[5]C[5]C){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(COO){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]O){3|H<1>,4|C<3>,4|C<4>}	123.6120	1.155	2	123.6120	1.335	2	123.6120	1.335	2	123.6120	1.335	2	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:3:	3:4:4:3:	3:4:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6,6]-4:C[5]-4:C-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]O[5]O)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[5]O[5]HH)(CCC)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]O[5]O)(C[6]C[6]H){2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[5]O[5]HH)(CCC){2|O<1>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	121.0727	0.325	3	121.0727	0.106	3	121.0727	0.106	3	121.0727	0.106	3	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:3:	3:4:4:4:	3:3:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]H){1|O<1>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(H){2|C<3>,2|H<1>,3|C<4>}	118.0510	0.047	2	118.0510	0.002	2	118.0510	0.002	2	118.0510	0.002	2	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:3:	3:4:4:4:	3:4:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(CHHO)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]H){2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(CHHO){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	123.7260	0.000	1	123.7260	0.000	1	123.7260	0.000	1	124.9053	1.062	3	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:3:	3:4:4:4:	3:4:1:	C[5,6]-4:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]H)(N[5]C[5]C)	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HO)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]H)(N[5]C[5]C){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HO)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	125.6330	0.000	1	125.6330	0.000	1	125.6330	0.000	1	124.9053	1.062	3	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:3:	3:4:4:4:	3:4:1:	C[5,6]-4:C[6]-3:N[5]-3:	C[5,6]-3:C[6]-4:C[5]-4:C-4:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]H)(N[5]C[5]C)	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]HH)(C[5]C[5]CH)(CH3)	C[6](C[5,6]C[5,6]N[5])(C[6]C[5,6]HH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]HH)(C[5]C[5]CH)(CH3){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[5,6]HH)(H){1|C<3>,2|O<2>,4|C<4>}	125.3570	0.000	1	125.3570	0.000	1	125.3570	0.000	1	124.9053	1.062	3	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:3:	3:4:4:4:	3:4:3:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-3:C[6]-4:C-3:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]C)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(CCH)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]C){1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(CCH){2|H<1>,5|C<4>}	118.7290	0.000	1	118.7290	0.000	1	117.7300	1.996	2	117.7300	1.996	2	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:3:	3:4:4:4:	3:4:3:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-3:C[6]-4:C-3:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]Si)(C[6]C[6]C)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(CCH)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]Si)(C[6]C[6]C){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|Si<4>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(CCH){1|Si<4>,1|C<3>,2|H<1>,3|C<4>}	116.7310	0.000	1	116.7310	0.000	1	117.7300	1.996	2	117.7300	1.996	2	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:3:	3:4:4:4:	3:4:4:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-3:C[6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]C)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5])(C[6]N[6]HH)(CCCH)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]C){1|N<3>,8|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(CH3){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]N[6]HH)(CCCH){1|C<3>,1|S<4>,4|C<4>}	123.5530	0.000	1	123.5530	0.000	1	123.5530	0.000	1	123.5530	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:3:	4:3:2:1:	3:3:2:	C[5,6]-4:C[5]-3:C[6]-3:	C[6,6]-4:C[5,6]-3:O[5]-2:H-1:	C[5,6]-3:C[6]-3:O-2:	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]C)(C[6]C[6]O)	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6])(O[5]C[5])(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]O)(OH)	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]C)(C[6]C[6]O){1|O<2>,2|C<4>,2|O<1>}	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6])(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]O)(OH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	120.6130	0.000	1	120.6130	0.000	1	120.6130	0.000	1	120.6130	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:3:	4:3:2:1:	3:4:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6]-3:O[5]-2:H-1:	C[5,6]-3:C[6]-4:O-1:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]C)(C[6]C[6]O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])(O[5]C[5])(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(O)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]C)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])(O[5]C[5])(H){1|C<3>,2|O<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	121.6820	0.000	1	121.6820	0.000	1	121.6820	0.000	1	121.6820	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:3:	4:3:2:2:	3:4:4:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6]-3:O[6]-2:O-2:	C[5,6]-3:C[6]-4:C-4:	C[5,6](C[5,6]C[5,6]O[6]O)(C[5]O[5]O)(C[6]C[6]C)	C[5,6](C[5,6]C[6]2O[5])(C[5,6]C[5]C[6])(O[6]O[6])(OH)	C[6](C[5,6]C[5,6]C[5])(C[6]O[6]CC)(CH3)	C[5,6](C[5,6]C[5,6]O[6]O)(C[5]O[5]O)(C[6]C[6]C){1|O<2>,4|C<4>}	C[5,6](C[5,6]C[6]2O[5])(C[5,6]C[5]C[6])(O[6]O[6])(OH){1|O<1>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]O[6]CC)(CH3){1|C<4>,1|O<1>,3|O<2>}	126.6200	0.000	1	126.6200	0.000	1	126.6200	0.000	1	126.6200	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:3:	4:3:3:1:	3:3:1:	C[5,6]-4:C[5]-3:C[6]-3:	Si[5,5]-4:C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]Si[5,5]C[6]H)(C[5]C[6a]O[5])(C[6]C[6]H)	C[5,6](Si[5,5]C[5]2O[5])(C[5,6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]Si[5,5]C[6]H)(C[5]C[6a]O[5])(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	C[5,6](Si[5,5]C[5]2O[5])(C[5,6]C[5]C[6])(C[6]C[6]H)(H){4|Si<4>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|Si<4>,1|O<2>,2|C<3>,2|H<1>}	116.8620	0.000	1	116.8620	0.000	1	116.8620	0.000	1	116.8025	0.007	2	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:3:	4:3:3:1:	3:3:1:	C[5,6]-4:C[5]-3:C[6]-3:	Si[5,6]-4:C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]Si[5,6]C[6]H)(C[5]C[6a]N[5])(C[6]C[6]H)	C[5,6](Si[5,6]N[5]N[6]2)(C[5,6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]Si[5,6]C[6]H)(C[5]C[6a]N[5])(C[6]C[6]H){2|H<1>,3|C<3>,3|N<3>}	C[5,6](Si[5,6]N[5]N[6]2)(C[5,6]C[5]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,6|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|Si<4>,1|N<3>,2|C<3>,2|H<1>}	116.7430	0.000	1	116.7430	0.000	1	116.7430	0.000	1	116.8025	0.007	2	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:3:	4:3:3:2:	3:3:4:	C[5,6]-4:C[6]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[5,6]-3:O-2:	C[5,6]-3:C[5a]-3:C[6]-4:	C[5,6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[5a]C[6])(C[5]C[5,6a]O)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(OH)	C[6](C[5,6]C[5,6]C[5])(C[5a]C[5a]S[5a])(C[6]C[6]CH)	C[5,6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[5a]C[6])(C[5]C[5,6a]O){1|H<1>,1|S<2>,2|C<4>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(OH){1|C<4>,1|N<3>,2|H<1>,2|O<1>,6|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[5a]C[5a]S[5a])(C[6]C[6]CH){1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	120.7800	0.000	1	120.7800	0.000	1	120.7800	0.000	1	120.7800	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:3:	4:3:3:4:	3:3:2:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,5]-4:C[5,6]-3:C[6]-3:C-4:	C[5,6]-3:C[6]-3:O-2:	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5,5]O)(C[6]C[6]O)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6])(C[6]C[6]C)(CH3)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(OH)	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5,5]O)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6])(C[6]C[6]C)(CH3){1|C<4>,1|O<1>,3|C<3>,3|O<2>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(OH){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	123.7680	0.000	1	123.7680	0.000	1	123.7680	0.000	1	123.7680	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:3:	4:3:4:1:	3:3:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[4x6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]C[4x6]C[5]H)(C[5]C[5]O)(C[6]C[6]H)	C[5,6](C[4x6]C[3x6]C[6,6]2)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[3x6]H)(H)	C[5,6](C[5,6]C[4x6]C[5]H)(C[5]C[5]O)(C[6]C[6]H){1|C<4>,2|C<3>,5|H<1>}	C[5,6](C[4x6]C[3x6]C[6,6]2)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H){2|C<3>,2|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[3x6]H)(H){1|H<1>,1|O<1>,4|C<4>}	122.7750	0.000	1	122.7750	0.000	1	122.7750	0.000	1	121.4650	3.432	2	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:3:	4:3:4:1:	3:3:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]O[5])(C[6]C[6]H)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6a]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]O[5])(C[6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)(H){2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6a]C[6])(H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	120.1550	0.000	1	120.1550	0.000	1	120.1550	0.000	1	121.4650	3.432	2	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:3:	4:3:4:1:	3:3:2:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-3:C[6]-3:C-2:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]H)(C[6]C[6]C)	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]N)(CN)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]H)(C[6]C[6]C){1|N<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<3>,2|C<4>,3|C<2>,7|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]N)(CN){2|C<2>,2|H<1>,3|C<4>}	118.2950	0.000	1	118.2950	0.000	1	118.2950	0.000	1	118.2950	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:3:	4:3:4:1:	3:3:3:	C[5,6]-4:C[6]-3:N[5]-3:	C[6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-3:C[6]-3:C-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]C)(N[5]C[5]C)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]O)(COO)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]C)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]O)(COO){3|H<1>,4|C<4>}	121.9900	0.000	1	121.9900	0.000	1	121.9900	0.000	1	121.9900	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:3:	4:3:4:1:	3:4:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[3,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[3,6]C[5]H)(C[5]O[5]O)(C[6]C[6]H)	C[5,6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5]C[6])(C[5]O[5]CH)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[3,6]HH)(H)	C[5,6](C[5,6]C[3,6]C[5]H)(C[5]O[5]O)(C[6]C[6]H){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5]C[6])(C[5]O[5]CH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[3,6]HH)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	125.1840	0.000	1	125.1840	0.000	1	125.1840	0.000	1	124.7775	0.090	10	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:3:	4:3:4:1:	3:4:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,5,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5,6]O)(C[6]C[6]H)	C[5,6](C[5,5,6]C[5,5,6]2H)(C[5,6]C[5]C[6])(C[6]C[6]HN)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5,6]O)(C[6]C[6]H){1|N<3>,4|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]2H)(C[5,6]C[5]C[6])(C[6]C[6]HN)(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H){1|O<1>,3|C<4>,3|H<1>}	124.7050	0.000	1	124.7050	0.000	1	124.7050	0.000	1	124.7775	0.090	10	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:3:	4:3:4:1:	3:4:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[6,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]O)(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HH)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]O)(C[6]C[6]H){3|C<4>,4|H<1>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HH)(H){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	124.6577	0.240	4	124.6577	0.058	4	124.7357	0.089	8	124.7775	0.090	10	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:3:	4:3:4:1:	3:4:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[6,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]O)(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HO)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]O)(C[6]C[6]H){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HO)(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	125.1440	0.000	1	124.8070	0.200	3	124.7357	0.089	8	124.7775	0.090	10	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:3:	4:3:4:1:	3:4:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[6,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]O)(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HO)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]O)(C[6]C[6]H){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HO)(H){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	124.6385	0.480	2	124.8070	0.200	3	124.7357	0.089	8	124.7775	0.090	10	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:3:	4:3:4:1:	3:4:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[6,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]O)(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]O)(C[6]C[6]H){2|C<4>,5|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	124.8340	0.000	1	124.8340	0.000	1	124.7357	0.089	8	124.7775	0.090	10	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:3:	4:3:4:2:	3:3:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[4,6]-4:C[5,6]-3:C[5]-4:O-2:	C[5,6]-3:C[6]-3:O-1:	C[5,6](C[5,6]C[4,6]C[5]O)(C[5]C[5]H)(C[6]C[6]O)	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5]C[6])(C[5]C[5]HO)(OH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[4,6]C)(O)	C[5,6](C[5,6]C[4,6]C[5]O)(C[5]C[5]H)(C[6]C[6]O){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5]C[6])(C[5]C[5]HO)(OH){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[4,6]C)(O){1|H<1>,1|O<2>,4|C<4>}	121.5850	0.000	1	121.5850	0.000	1	121.5850	0.000	1	121.5850	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:3:	4:3:4:3:	3:4:1:	C[5,6]-4:C[5,6a]-3:C[6]-3:	C[5,6]-4:C[5,6]-3:C[5]-4:C[6a]-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6a]C[6a]2)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H){1|C<4>,5|C<3>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]HH)(H){1|H<1>,2|C<4>,4|C<3>}	121.1680	0.000	1	121.1680	0.000	1	121.1680	0.000	1	123.9376	2.774	5	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:3:	4:3:4:3:	3:4:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6]-3:C[6]-4:C-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]N[5,6]O)(C[6]C[6]H)	C[5,6](C[5,6]C[5a,6]N[5,6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]N[5,6]O)(C[6]C[6]H){1|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5a,6]N[5,6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(COO){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	124.1330	0.000	1	124.1330	0.000	1	124.4907	0.637	3	123.9376	2.774	5	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:3:	4:3:4:3:	3:4:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6]-3:C[6]-4:C-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]N[5,6]O)(C[6]C[6]H)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]N[5,6]O)(C[6]C[6]H){1|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(COO){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	125.4050	0.000	1	125.4050	0.000	1	124.4907	0.637	3	123.9376	2.774	5	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:3:	4:3:4:3:	3:4:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6]-3:C[6]-4:C-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]N[5,6]S)(C[6]C[6]H)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]N[5,6]S)(C[6]C[6]H){1|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(COO){1|S<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|S<1>,2|C<4>,2|H<1>}	123.9340	0.000	1	123.9340	0.000	1	124.4907	0.637	3	123.9376	2.774	5	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:3:	4:3:4:3:	3:4:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5]-4:C[5,6]-3:C[6]-4:C-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]O)(C[6]C[6]H)	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]O)(C[6]C[6]H){1|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(COO){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	125.0480	0.000	1	125.0480	0.000	1	125.0480	0.000	1	123.9376	2.774	5	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:3:	4:3:4:4:	3:3:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[3,5]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]C[3,5]C[6]C)(C[5]C[3,5]O)(C[6]C[6]H)	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6])(C[6]C[6]CH)(CH3)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(H)	C[5,6](C[5,6]C[3,5]C[6]C)(C[5]C[3,5]O)(C[6]C[6]H){1|O<1>,3|C<4>,3|H<1>}	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6])(C[6]C[6]CH)(CH3){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(H){1|O<1>,2|H<1>,4|C<4>}	124.4440	0.000	1	124.4440	0.000	1	124.4440	0.000	1	124.4440	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:3:	4:3:4:4:	3:3:4:	C[5,6]-4:C[6]-3:C[5]-3:	C[5]-4:C[5,6]-3:C[6]-4:C-4:	C[5a,6]-3:C[5,6]-3:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5a,6]C)(C[5]O[5]O)	C[5,6](C[5]C[5a]O[5]H)(C[5,6]C[5]C[6])(C[6]C[5a,6]HH)(CH3)	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5])(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5a,6]C)(C[5]O[5]O){1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[5]C[5a]O[5]H)(C[5,6]C[5]C[6])(C[6]C[5a,6]HH)(CH3){1|C<4>,1|O<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5])(CH3){1|N<2>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	125.0840	0.000	1	125.0840	0.000	1	125.0840	0.000	1	125.0840	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:3:	4:3:4:4:	3:4:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,5,6]-4:C[5,6]-3:C[5]-4:C-4:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[5,5,6]C[5]C)(C[5]O[5]O)(C[6]C[6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,6]C[5]C[6])(C[5]O[5]HH)(CH3)	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,5,6]HH)(H)	C[5,6](C[5,6]C[5,5,6]C[5]C)(C[5]O[5]O)(C[6]C[6]H){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,6]C[5]C[6])(C[5]O[5]HH)(CH3){1|O<1>,3|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,5,6]HH)(H){1|O<1>,1|O<2>,5|C<4>}	123.1630	0.000	1	123.1630	0.000	1	123.1630	0.000	1	123.8335	0.899	2	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:3:	4:3:4:4:	3:4:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]O)(C[6]C[6]H)	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]O)(C[6]C[6]H){1|C<4>,2|C<3>,6|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<4>}	124.5040	0.000	1	124.5040	0.000	1	124.5040	0.000	1	123.8335	0.899	2	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:3:	4:3:4:4:	3:4:4:	C[5,6]-4:C[5]-3:C[6]-3:	C[5]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6]-3:C[6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]O)(C[6]C[6]C)	C[5,6](C[5]C[5a]O[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]O)(C[6]C[6]C){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5]C[5a]O[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	125.4245	0.762	8	125.4245	0.580	8	125.4245	0.580	8	125.4245	0.580	8	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:4:	3:3:4:1:	4:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,6]N[5,6]C[5]H)(C[6]C[5,6]H)(C[5]C[5]HH)	C[5,6](N[5,6]N[5,5,6]C[5,5])(C[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[6](C[5,6]N[5,5,6]C[6a]O[5])(C[5,6]C[5,6]C[5])(H)	C[5,6](C[5,6]N[5,6]C[5]H)(C[6]C[5,6]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[5,6](N[5,6]N[5,5,6]C[5,5])(C[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<3>,3|C<4>,6|H<1>}	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>}	121.8190	0.000	1	121.8190	0.000	1	121.8190	0.000	1	121.8190	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:4:	3:3:4:2:	3:3:4:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-3:C[6]-3:C[5]-4:C-2:	C[6,6a]-3:C[5,6]-3:Si-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]Si)(C[5]C[5]HH)	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])(SiC3)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]Si)(C[5]C[5]HH){1|O<1>,2|C<3>,4|H<1>}	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])(SiC3){1|C<2>,2|C<4>,3|C<3>,3|H<1>}	121.7690	0.049	2	121.7690	0.002	2	121.7690	0.002	2	121.7690	0.002	2	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:4:	3:3:4:4:	3:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-3:N[6]-3:C[5]-4:C-4:	C[6,6a]-3:C[5,6]-3:H-1:	C[5,6](C[5,6]C[5]N[6]C)(C[6]C[6,6a]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)	C[5,6](C[5,6]C[5]N[6]C)(C[6]C[6,6a]H)(C[5]C[5]HH){2|C<3>,5|H<1>}	C[5,6](C[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HH)(CH3){2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	121.5280	0.000	1	121.5280	0.000	1	121.5280	0.000	1	121.5280	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:4:	3:4:2:1:	3:3:2:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-3:C[6]-4:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-3:O-2:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]O)(C[5]C[5]CH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]CH)(O[5]C[5])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(OC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]O)(C[5]C[5]CH){2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]CH)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(OC){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	118.7450	0.000	1	118.7450	0.000	1	118.7450	0.000	1	118.7450	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:4:	3:4:2:1:	4:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:N[6]-2:H-1:	C[5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[5,6]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]N[5,6])(H)	C[6](C[5,6]N[5,6]C[6a]O[5])(C[5,6]C[5,6]C[5])(H)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[5,6]H)(C[5]C[5]HH){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]N[5,6])(H){1|C<3>,1|C<4>,5|H<1>}	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>}	118.2560	0.000	1	118.2560	0.000	1	118.2560	0.000	1	118.2560	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:4:	3:4:2:4:	3:4:1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:O[6]-2:C-4:	C[5,6]-3:C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]O[6]C)(C[6]C[5,6]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[6])(CCHH)	C[6](C[5,6]C[5,6]C[5])(C[5,6]C[5]2C[6])(H)	C[5,6](C[5,6]C[5]O[6]C)(C[6]C[5,6]H)(C[5]C[5]HH){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[6])(CCHH){1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[5,6]C[5]2C[6])(H){1|Si<4>,1|C<3>,1|O<1>,2|O<2>,3|C<4>,4|H<1>}	119.5290	0.000	1	119.5290	0.000	1	119.5290	0.000	1	119.5290	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:4:	3:4:3:1:	3:3:3:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-3:C[6]-4:N[5]-3:H-1:	C[5,6]-3:C[6a]-3:C[6]-3:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6a]C[6])(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]O)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6a]C[6])(C[5]C[5]HH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]C)(H){2|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	122.7730	0.000	1	122.7730	0.000	1	122.7730	0.000	1	122.7730	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:4:	3:4:3:3:	3:3:3:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:B[6]-3:C-3:	C[5,6]-3:C[6a]-3:B[6]-3:	C[5,6](C[5,6]B[6]C[5]C)(C[6]C[6a]B[6])(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(B[6]C[6]Cl)(CC[6a]C)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(B[6]C[6]Cl)	C[5,6](C[5,6]B[6]C[5]C)(C[6]C[6a]B[6])(C[5]C[5]HH){2|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(B[6]C[6]Cl)(CC[6a]C){1|B<3>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(B[6]C[6]Cl){1|B<3>,2|C<4>,4|H<1>,5|C<3>}	121.0290	0.000	1	121.0290	0.000	1	121.0290	0.000	1	121.0290	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:4:	3:4:3:4:	3:4:4:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6]-3:C[5,6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]C)(C[5]C[5]CH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CH)(C[5]C[5]H)(CH3)	C[6](C[5,6]C[5,6]C[5])(C[5,6]C[5,6]2H)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]C)(C[5]C[5]CH){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CH)(C[5]C[5]H)(CH3){2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[5,6]C[5,6]2H)(CH3){2|C<3>,3|H<1>,6|C<4>}	121.9868	0.444	4	121.9868	0.198	4	121.9868	0.198	4	121.9868	0.198	4	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:4:	3:4:4:1:	3:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-3:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]CC)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]H)(C[5]C[5]HH){2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]CC)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H){2|C<3>,3|C<4>,4|H<1>}	121.7210	0.000	1	120.7930	1.722	2	120.7713	1.509	4	120.7713	1.509	4	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:4:	3:4:4:1:	3:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-3:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]CC)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]H)(C[5]C[5]HH){2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]CC)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H){3|C<3>,3|C<4>,3|H<1>}	119.8650	0.000	1	120.7930	1.722	2	120.7713	1.509	4	120.7713	1.509	4	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:4:	3:4:4:1:	3:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-3:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]CC)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]H)(C[5]C[5]HH){2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]CC)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(H){3|C<3>,3|C<4>,3|H<1>}	119.5660	0.000	1	119.5660	0.000	1	120.7713	1.509	4	120.7713	1.509	4	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:4:	3:4:4:1:	3:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-3:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]H)(C[5]C[5]HH){4|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H){2|C<3>,3|C<4>,4|H<1>}	121.9330	0.000	1	121.9330	0.000	1	120.7713	1.509	4	120.7713	1.509	4	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:4:	3:4:4:1:	3:3:3:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[6a]-3:C[6]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]N[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]N[5]HH){1|S<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	120.8700	0.000	1	121.2515	0.291	2	121.2515	0.291	2	121.2237	0.148	3	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:4:	3:4:4:1:	3:3:3:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[6a]-3:C[6]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]N[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]N[5]HH){1|S<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|S<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	121.6330	0.000	1	121.2515	0.291	2	121.2515	0.291	2	121.2237	0.148	3	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:4:	3:4:4:1:	3:3:3:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-3:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-3:C-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]C)(C[5]N[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]N[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(CCO)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]C)(C[5]N[5]HH){1|S<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]N[5]HH)(H){1|S<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(CCO){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	121.1680	0.000	1	121.1680	0.000	1	121.1680	0.000	1	121.2237	0.148	3	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:4:	3:4:4:2:	4:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:C[5]-4:O[6]-2:	C[5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,6]C[5]2O[6])(C[6]C[5,6]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[5]C[5]HO)(O[6]C[6])	C[6](C[5,6]C[5,5]C[5]C[6])(C[5,6]C[5,6]C[5])(H)	C[5,6](C[5,6]C[5]2O[6])(C[6]C[5,6]H)(C[5]C[5]HH){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[5]C[5]HO)(O[6]C[6]){1|O<1>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[5,6]C[5,6]C[5])(H){1|O<1>,2|O<2>,4|H<1>,6|C<4>}	116.4460	0.000	1	116.3620	0.014	2	116.3620	0.014	2	116.3620	0.014	2	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:4:	3:4:4:2:	4:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:C[5]-4:O[6]-2:	C[5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,6]C[5]2O[6])(C[6]C[5,6]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[5]C[5]HO)(O[6]C[6])	C[6](C[5,6]C[5,5]C[5]C[6])(C[5,6]C[5,6]C[5])(H)	C[5,6](C[5,6]C[5]2O[6])(C[6]C[5,6]H)(C[5]C[5]HH){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[5]C[5]HO)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[5,6]C[5,6]C[5])(H){1|C<3>,1|O<1>,2|O<2>,4|H<1>,5|C<4>}	116.2780	0.000	1	116.3620	0.014	2	116.3620	0.014	2	116.3620	0.014	2	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:4:	4:3:4:1:	4:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	C[6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,5,6]H)(C[5]C[5]2H)	C[5,6](C[6]C[5,5,6,6]HO)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]C)(C[5,6]C[5,6]C[5])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,5,6]H)(C[5]C[5]2H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[5,6](C[6]C[5,5,6,6]HO)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H){4|C<4>,4|H<1>}	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]C)(C[5,6]C[5,6]C[5])(H){3|H<1>,8|C<4>}	122.4410	0.000	1	122.4410	0.000	1	122.4410	0.000	1	122.4410	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:3:4:	4:3:4:3:	3:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5]-4:C[5,6]-3:C[6]-4:C-3:	C[6,6a]-3:C[5,6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]H)(C[5]N[5]HH)	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]H)(C[5]N[5]HH){1|S<4>,3|C<3>,3|H<1>}	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(COO){1|S<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	122.0500	0.000	1	122.0500	0.000	1	122.0500	0.000	1	122.0500	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:4:3:	3:3:3:1:	3:2:2:	C[5,6]-4:C[5]-4:C[6]-3:	C[6,6a]-3:C[5,6]-3:N[5]-3:H-1:	C[5,6]-3:O[6]-2:C-2:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]O[6]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5]C[5]S)(H)	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6a])(CC)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]O[6]C){1|S<4>,2|C<3>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5]C[5]S)(H){1|C<2>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6a])(CC){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	120.2760	0.000	1	120.2760	0.000	1	120.2760	0.000	1	120.2760	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:4:3:	3:3:3:4:	3:4:1:	C[5,6]-4:P[5]-4:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:C-4:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(P[5]C[6a]C[5]W)(C[6]C[6]H)	C[5,6](C[5,6]C[6]P[5])(C[5]C[5]C)(C[6]C[6]C)(CH3)	C[6](C[5,6]C[5,6]P[5])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]C)(P[5]C[6a]C[5]W)(C[6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6]P[5])(C[5]C[5]C)(C[6]C[6]C)(CH3){1|C<4>,1|W<6>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]P[5])(C[6]C[6]HH)(H){1|C<4>,1|W<6>,5|C<3>}	121.6470	0.000	1	121.6470	0.000	1	121.6470	0.000	1	121.6470	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:4:3:	3:3:4:1:	3:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5,6]-3:C[6]-4:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]H)	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]H){1|O<2>,1|S<2>,2|H<1>,3|C<3>}	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H){1|C<4>,1|O<1>,1|S<2>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|N<3>,2|C<4>,4|H<1>}	120.5943	0.936	3	120.6348	0.368	6	120.6348	0.368	6	120.6348	0.368	6	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:4:3:	3:3:4:1:	3:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5,6]-3:C[6]-4:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]H)	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]H){1|O<2>,3|C<3>,3|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|N<3>,2|C<4>,4|H<1>}	120.6753	0.193	3	120.6348	0.368	6	120.6348	0.368	6	120.6348	0.368	6	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:4:3:	3:3:4:1:	3:4:1:	C[5,6]-4:C[5,6]-4:C[6]-3:	C[5,6]-3:N[5,6]-3:C[6]-4:H-1:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]N[5,6]C[6]H)(C[6]C[6]H)	C[5,6](C[5,6]C[5,6]C[6])(N[5,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2)(C[6]C[6]HO)(H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]N[5,6]C[6]H)(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6])(N[5,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[6](C[5,6]C[5,6]2)(C[6]C[6]HO)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	123.1670	0.339	2	123.1670	0.115	2	123.2337	0.071	3	123.3146	0.319	7	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:4:3:	3:3:4:1:	3:4:1:	C[5,6]-4:C[5,6]-4:C[6]-3:	C[5,6]-3:N[5,6]-3:C[6]-4:H-1:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]N[5,6]C[6]H)(C[6]C[6]H)	C[5,6](C[5,6]C[5,6]C[6])(N[5,6]C[5,6]S[6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2)(C[6]C[6]BrH)(H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]N[5,6]C[6]H)(C[6]C[6]H){2|Br<1>,1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6])(N[5,6]C[5,6]S[6])(C[6]C[6]HH)(H){1|Br<1>,1|C<4>,2|C<3>,2|O<1>,5|H<1>}	C[6](C[5,6]C[5,6]2)(C[6]C[6]BrH)(H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	123.3670	0.000	1	123.3670	0.000	1	123.2337	0.071	3	123.3146	0.319	7	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:4:3:	3:3:4:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5,6]-3:C[6]-4:H-1:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]H)	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|N<3>,2|C<4>,5|H<1>}	123.3752	0.761	4	123.3752	0.579	4	123.3752	0.579	4	123.3146	0.319	7	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:4:3:	3:3:4:3:	3:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]HO)(C[6]C[6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)(CCH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]HO)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)(CCH){1|O<2>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	122.7735	0.084	2	122.7735	0.007	2	122.7735	0.007	2	122.7735	0.007	2	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:4:3:	3:4:3:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]N[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H){1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]N[6]CH)(H){1|C<3>,2|C<4>,4|H<1>}	122.5020	0.000	1	122.5020	0.000	1	123.4573	1.139	3	122.5764	1.575	9	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:4:3:	3:4:3:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6a]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]H){1|S<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]H)(H){1|C<2>,1|C<4>,1|S<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6a]C[6]H)(H){1|C<2>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	124.6090	0.000	1	124.6090	0.000	1	123.4573	1.139	3	122.5764	1.575	9	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:4:3:	3:4:3:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6a]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H){2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6a]C[6]H)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	123.2610	0.000	1	123.2610	0.000	1	123.4573	1.139	3	122.5764	1.575	9	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:4:3:	3:4:3:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-4:N[5]-3:H-1:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H){2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|N<3>,2|C<4>,5|H<1>}	122.9510	0.000	1	122.9510	0.000	1	122.8713	0.064	4	122.5764	1.575	9	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:4:3:	3:4:3:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-4:N[5]-3:H-1:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]S)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,5|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	122.8447	0.304	3	122.8447	0.092	3	122.8713	0.064	4	122.5764	1.575	9	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:4:3:	3:4:3:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6a]-3:C[6,6]-4:C[5,6]-3:H-1:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6a]C[6,6]H)(C[5]C[5,6a]HH)(C[6]C[6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6,6]H)(C[5]C[5,6a]HH)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	120.6655	0.390	2	120.6655	0.152	2	120.6655	0.152	2	122.5764	1.575	9	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:4:3:	3:4:3:1:	3:4:4:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-3:C[6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CC)(C[6]C[6]C)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CC)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(CHHO)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CC)(C[6]C[6]C){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CC)(C[6]C[6]H)(H){3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(CHHO){1|C<3>,2|H<1>,4|C<4>}	123.1510	0.000	1	123.1510	0.000	1	123.3930	0.117	2	123.3930	0.117	2	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:4:3:	3:4:3:1:	3:4:4:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-3:C[6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CHHN)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C){1|C<3>,1|S<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]H)(H){1|S<4>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CHHN){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	123.6350	0.000	1	123.6350	0.000	1	123.3930	0.117	2	123.3930	0.117	2	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:4:3:	3:4:4:1:	3:2:2:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:O[6]-2:O-2:	C[5,6](C[5,6]C[5]C[6]H)(C[5]P[5]CH)(C[6]O[6]O)	C[5,6](C[5,6]C[5]C[6])(C[5]P[5]HH)(C[6]B[6]HH)(H)	C[6](C[5,6]C[5,6]C[5])(O[6]B[6])(OC)	C[5,6](C[5,6]C[5]C[6]H)(C[5]P[5]CH)(C[6]O[6]O){1|B<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]P[5]HH)(C[6]B[6]HH)(H){1|H<1>,2|O<2>,5|C<3>}	C[6](C[5,6]C[5,6]C[5])(O[6]B[6])(OC){1|P<4>,2|C<4>,2|H<1>,3|C<3>}	121.1670	0.000	1	121.1670	0.000	1	121.1670	0.000	1	121.1670	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:4:3:	3:4:4:1:	3:2:4:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:O[6]-2:C-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]O[6]C)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5])(O[6]C[6])(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]O[6]C){1|C<3>,1|S<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,1|S<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(O[6]C[6])(CH3){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	121.9520	0.000	1	121.9520	0.000	1	121.9520	0.000	1	121.9520	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:4:3:	3:4:4:1:	3:3:1:	C[5,6]-4:C[5,6]-4:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]H)	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]H){1|O<1>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]2)(C[6]C[6]O)(H){3|H<1>,5|C<4>}	123.6780	0.000	1	123.6780	0.000	1	123.6780	0.000	1	123.6780	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H){1|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,6|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H){1|O<2>,3|C<4>,4|H<1>}	123.5357	0.399	3	123.5357	0.159	3	123.9706	0.521	5	123.8473	0.508	6	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]H){1|S<4>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,1|S<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	125.0400	0.000	1	125.0400	0.000	1	123.9706	0.521	5	123.8473	0.508	6	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]H){1|C<4>,1|O<2>,5|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(H){2|O<2>,3|C<4>,3|H<1>}	124.2060	0.000	1	124.2060	0.000	1	123.9706	0.521	5	123.8473	0.508	6	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-4:N[5]-4:H-1:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]CH)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H){2|C<4>,7|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]CH)(H){1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|N<4>,2|C<4>,5|H<1>}	123.2310	0.000	1	123.2310	0.000	1	123.2310	0.000	1	123.8473	0.508	6	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:4:3:	3:4:4:1:	3:4:4:	C[3,5]-4:C[5,6]-4:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[6]-4:C-4:	C[5,6](C[3,5]C[3]2C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]C)	C[5,6](C[5,6]C[3,5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]C[3,5]C[5,6])(C[6]N[6]HH)(CH3)	C[5,6](C[3,5]C[3]2C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]C){10|H<1>,1|N<3>,1|O<1>}	C[5,6](C[5,6]C[3,5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(H){1|O<1>,1|S<4>,4|C<4>}	C[6](C[5,6]C[3,5]C[5,6])(C[6]N[6]HH)(CH3){1|C<3>,1|H<1>,1|S<4>,4|C<4>}	121.2720	0.000	1	121.2720	0.000	1	121.2720	0.000	1	121.2720	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:4:3:	3:4:4:3:	3:4:4:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-4:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(C[6]C[6]C)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]O[6]H)(C[5]C[5]CH)(C[6]O[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]O[6]H)(CH3)	C[5,6](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(C[6]C[6]C){1|C<3>,1|O<1>,2|C<4>,2|O<2>,5|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]O[6]H)(C[5]C[5]CH)(C[6]O[6]O){2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]O[6]H)(CH3){2|H<1>,3|C<3>,4|C<4>}	118.9155	0.238	2	118.9155	0.057	2	118.9155	0.057	2	118.9155	0.057	2	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:4:3:	3:4:4:4:	3:4:4:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-3:C[6]-4:C[6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]2)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]2H)(C[6]N[6]HH)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]2){1|N<3>,2|C<4>,9|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(CH3){1|S<4>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]2H)(C[6]N[6]HH){1|S<4>,5|H<1>,7|C<4>}	123.8600	0.000	1	123.8600	0.000	1	123.8600	0.000	1	125.7183	2.632	3	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:4:3:	3:4:4:4:	3:4:4:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-4:C[5]-4:C-4:	C[5,6]-3:C[6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]C)	C[5,6](C[5,6]C[5]C[6])(C[6]C[3,6]HH)(C[5]N[5]HH)(CH3)	C[6](C[5,6]C[5,6]C[5])(C[6]C[3,6]CH)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]C){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[3,6]HH)(C[5]N[5]HH)(CH3){1|S<4>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[3,6]CH)(CH3){1|N<3>,2|H<1>,5|C<4>}	126.6475	0.291	2	126.6475	0.084	2	126.6475	0.084	2	125.7183	2.632	3	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:4:3:	4:3:2:1:	3:2:4:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:C[5,6]-3:O[5]-2:H-1:	C[5,6]-3:O[6]-2:C-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]HH)(C[6]O[6]C)	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])(O[5]C[5])(H)	C[6](C[5,6]C[5,6]C[5])(O[6]C[6])(CF3)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]HH)(C[6]O[6]C){2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])(O[5]C[5])(H){3|O<2>,4|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5])(O[6]C[6])(CF3){2|O<2>,3|C<4>,3|H<1>}	119.0630	0.000	1	119.0630	0.000	1	119.0630	0.000	1	119.0630	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:4:3:	4:3:2:2:	3:3:4:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:C[5,6]-3:O[5]-2:O-2:	C[5,6]-3:C[6]-3:C-4:	C[5,6](C[5,6]C[5,6]O[5]O)(C[5]C[5]CH)(C[6]C[6]C)	C[5,6](C[5,6]C[5,6]O[5]O)(C[5,6]C[5]C[6])(O[5]C[5])(OH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]O)(CH3)	C[5,6](C[5,6]C[5,6]O[5]O)(C[5]C[5]CH)(C[6]C[6]C){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[5,6](C[5,6]C[5,6]O[5]O)(C[5,6]C[5]C[6])(O[5]C[5])(OH){1|C<3>,3|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]O)(CH3){2|H<1>,2|O<2>,4|C<4>}	120.2440	0.000	1	120.2440	0.000	1	120.2440	0.000	1	120.2440	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:4:3:	4:3:3:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6,6]-4:C[5,6]-3:C[5]-3:H-1:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]H){1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]O)(H){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	123.8730	0.000	1	123.8730	0.000	1	123.8730	0.000	1	124.5223	0.348	3	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:4:3:	4:3:3:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6,6]-4:C[5,6]-3:N[5]-3:H-1:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[6,6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)	C[5,6](C[6,6]C[6,6a]C[6,6]O)(C[5,6]C[5]C[6])(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HO)(H)	C[5,6](C[5,6]C[6,6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[6,6]C[6,6a]C[6,6]O)(C[5,6]C[5]C[6])(N[5]C[5]C)(H){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HO)(H){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	124.8470	0.250	2	124.8470	0.063	2	124.8470	0.063	2	124.5223	0.348	3	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:4:3:	4:3:3:1:	4:3:4:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:H-1:	C[5,6,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,6]C[5,6,6]C[5,6a]H)(C[5]C[5,6a]HH)(C[6]C[5,6,6]C)	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(H)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[5,6]C[5,6]C[5])(CH3)	C[5,6](C[5,6]C[5,6,6]C[5,6a]H)(C[5]C[5,6a]HH)(C[6]C[5,6,6]C){3|C<3>,4|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(H){2|C<4>,6|C<3>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[5,6]C[5,6]C[5])(CH3){1|C<4>,6|C<3>,7|H<1>}	123.2910	0.000	2	123.2910	0.000	2	123.2910	0.000	2	123.2910	0.000	2	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:4:3:	4:3:3:2:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6,6]-4:C[5,6]-3:C[5]-3:O-2:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]O[5]HH)(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]O)(OH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HO)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]O[5]HH)(C[6]C[6]H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]O)(OH){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HO)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	124.5050	0.000	1	124.5050	0.000	1	124.5050	0.000	1	124.5050	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:4:3:	4:3:4:1:	3:2:4:	C[5,6]-4:C[5]-4:C[6]-3:	C[6,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-3:O[6]-2:C-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]O[6]C)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6])(CHHO)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]O[6]C){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6])(CHHO){1|O<2>,3|C<4>,4|H<1>}	121.1570	0.000	1	121.1570	0.000	1	121.1570	0.000	1	121.1570	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:4:3:	4:3:4:1:	3:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]H)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H){1|C<3>,1|C<4>,2|S<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|S<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]H)(H){3|H<1>,4|C<4>}	121.0744	0.952	7	121.0744	0.906	7	121.0744	0.906	7	121.2555	1.039	8	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:4:3:	4:3:4:1:	3:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|C<3>,2|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(H){3|C<4>,5|H<1>}	122.5230	0.000	1	122.5230	0.000	1	122.5230	0.000	1	121.2555	1.039	8	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[5,6]-4:C[5,6]-4:C[6]-3:	C[6,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(H)	C[6](C[5,6]C[5,6]2)(C[6]C[6,6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]H){1|C<3>,4|C<4>,7|H<1>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(H){1|C<3>,5|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]2)(C[6]C[6,6]HH)(H){2|H<1>,6|C<4>}	124.0405	0.122	2	124.0405	0.015	2	124.0405	0.015	2	123.6380	0.792	7	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)	C[5,6](C[5]C[6a]O[5]H)(C[5,6]C[5]C[6])(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H){1|C<3>,1|N<3>,5|H<1>}	C[5,6](C[5]C[6a]O[5]H)(C[5,6]C[5]C[6])(C[6]N[6]HH)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]N[6]HH)(H){1|O<2>,1|S<4>,2|C<4>,3|H<1>}	123.0190	0.000	1	123.0190	0.000	1	122.5590	0.423	2	123.6380	0.792	7	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)	C[5,6](C[5]C[6a]O[5]H)(C[5,6]C[5]C[6])(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]O[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H){1|C<3>,1|O<2>,5|H<1>}	C[5,6](C[5]C[6a]O[5]H)(C[5,6]C[5]C[6])(C[6]O[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]O[6]HH)(H){1|O<2>,2|C<4>,3|H<1>}	122.0990	0.000	1	122.0990	0.000	1	122.5590	0.423	2	123.6380	0.792	7	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	124.4560	0.491	2	124.4560	0.241	2	124.4560	0.241	2	123.6380	0.792	7	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]H)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]C[6])(C[5]N[5]HH)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]C[6])(C[5]N[5]HH)(H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	123.3550	0.000	1	123.3550	0.000	1	123.3550	0.000	1	123.6380	0.792	7	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:4:3:	4:3:4:1:	3:4:4:	C[5,6]-4:C[5,6]-4:C[6]-3:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-3:C[6]-4:C-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]C)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[6])(C[5]C[5,6]CC)(H)	C[6](C[5,6]C[5,6]2)(C[6]C[5,6]HH)(CH3)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]C){3|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[6])(C[5]C[5,6]CC)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]2)(C[6]C[5,6]HH)(CH3){1|C<3>,3|H<1>,4|C<4>}	118.9125	0.006	2	118.9125	0.000	2	118.9125	0.000	2	118.9125	0.000	2	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:4:3:	4:3:4:3:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:C[5,6]-3:C[6]-4:C-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]N[5,6]HH)(C[6]C[6]H)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]N[5,6]HH)(C[6]C[6]H){1|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(COO){2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	123.5000	0.000	1	123.5000	0.000	1	123.5000	0.000	1	123.5000	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:4:3:	4:3:4:4:	3:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CH)(C[6]C[6]H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CH)(C[6]C[6]H){1|O<1>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(H){3|H<1>,5|C<4>}	123.1630	0.000	1	123.1630	0.000	1	123.1630	0.000	1	122.8590	0.185	2	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:4:3:	4:3:4:4:	3:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6,6]-4:C[5,6]-3:C[5]-4:C-4:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CC)(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(CH3)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]O)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CC)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]O)(H){8|C<4>}	122.5550	0.000	1	122.5550	0.000	1	122.5550	0.000	1	122.8590	0.185	2	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:4:3:	4:3:4:4:	3:3:2:	C[5,6]-4:C[5]-4:C[6]-3:	C[3x5]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6]-3:C[6]-3:O-2:	C[5,6](C[5,6]C[3x5]C[6]C)(C[5]C[3x5]HH)(C[6]C[6]O)	C[5,6](C[3x5]C[3x5]C[5]O[5])(C[5,6]C[5]C[6])(C[6]O[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5])(C[6]O[6]O)(OH)	C[5,6](C[5,6]C[3x5]C[6]C)(C[5]C[3x5]HH)(C[6]C[6]O){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[3x5]C[3x5]C[5]O[5])(C[5,6]C[5]C[6])(C[6]O[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]O[6]O)(OH){2|H<1>,4|C<4>}	120.6830	0.000	1	120.6830	0.000	1	120.6830	0.000	1	120.6830	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[3,5]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[3,5]C[6]C)(C[5]C[3,5]CO)(C[6]C[6]H)	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)	C[5,6](C[5,6]C[3,5]C[6]C)(C[5]C[3,5]CO)(C[6]C[6]H){1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(H){1|O<2>,2|H<1>,5|C<4>}	123.4310	0.000	1	123.4310	0.000	1	123.4310	0.000	1	123.0885	0.235	2	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6,6]-4:C[5,6]-3:C[5]-4:C-4:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(CH3)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]H){2|C<4>,7|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(CH3){5|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H){1|H<1>,7|C<4>}	122.7460	0.000	1	122.7460	0.000	1	122.7460	0.000	1	123.0885	0.235	2	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:4:3:	4:3:4:4:	3:4:4:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6]-3:C[6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]C)	C[5,6](C[5]C[5a]C[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]2H)(CClHH)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]C){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5]C[5a]C[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HO)(CH3){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]2H)(CClHH){1|C<3>,2|H<1>,2|O<2>,6|C<4>}	126.5090	0.000	1	126.5090	0.000	1	126.5090	0.000	1	126.5090	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:4:3:	4:4:3:1:	3:4:3:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-3:C[6]-4:C-3:	C[5,6](C[5,6]C[5,6]2H)(C[5]O[5]HH)(C[6]C[6]C)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]2O[5])(C[5,6]C[5]C[6])(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(CC[6]H)	C[5,6](C[5,6]C[5,6]2H)(C[5]O[5]HH)(C[6]C[6]C){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]2O[5])(C[5,6]C[5]C[6])(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(CC[6]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	120.3510	0.000	1	120.3510	0.000	1	120.3510	0.000	1	120.3510	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	762	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[6]	4:4:3:	4:4:3:4:	3:3:1:	C[5,6]-4:P[5]-4:C[6]-3:	C[3,5]-4:C[3,6]-4:C[5,6]-3:C-4:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]C[3,5]C[3,6]C)(P[5]C[3,5]C[6a]W)(C[6]C[6]H)	C[5,6](C[3,5]C[3,5]O[3]C)(C[3,6]C[3,6]O[3]C)(C[5,6]C[6]P[5])(CH3)	C[6](C[5,6]C[5,6]P[5])(C[6]C[3,6]O)(H)	C[5,6](C[5,6]C[3,5]C[3,6]C)(P[5]C[3,5]C[6a]W)(C[6]C[6]H){1|H<1>,1|O<1>,2|C<4>,2|O<2>,3|C<3>}	C[5,6](C[3,5]C[3,5]O[3]C)(C[3,6]C[3,6]O[3]C)(C[5,6]C[6]P[5])(CH3){1|W<6>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]P[5])(C[6]C[3,6]O)(H){1|O<2>,1|W<6>,2|C<3>,4|C<4>}	122.0720	0.000	1	122.0720	0.000	1	122.0720	0.000	1	122.0720	0.000	1	122.0372	8.014	271	121.9924	10.524	465
818	474	770	0:SP2_SP2_SP3	C[5,6]	C[5,5,6]	B	4:3:3:	3:4:3:4:	3:3:3:	C[5,5,6]-4:C[5,6]-3:B-3:	B[5,5]-3:C[5,6]-4:C[5,6]-3:Si-4:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]B[5,5]C[5,6]Si)(C[5,6]C[5,5,6]C[6a])(BC[6a]2)	C[5,5,6](B[5,5]C[5,5,6]C[6a])(C[5,6]C[5,6]HH)(C[5,6]C[5,6]B)(SiC3)	B(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)2	C[5,6](C[5,5,6]B[5,5]C[5,6]Si)(C[5,6]C[5,5,6]C[6a])(BC[6a]2){1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	C[5,5,6](B[5,5]C[5,5,6]C[6a])(C[5,6]C[5,6]HH)(C[5,6]C[5,6]B)(SiC3){1|Si<4>,2|H<1>,3|C<3>}	B(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)2	128.4770	0.000	1	128.4770	0.000	1	128.4770	0.000	1	128.4770	0.000	1	128.4770	0.000	1	126.9364	11.935	36
818	474	770	0:SP2_SP2_SP3	C[5]	C[5,5]	B	4:3:3:	3:3:3:4:	3:3:3:	C[5,5]-4:C[5]-3:B-3:	C[5,6a]-3:B[5,5]-3:C[5]-3:Si-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]B[5,5]Si)(C[5]C[6a]C[5])(BC[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(B[5,5]C[5]N[5])(C[5]C[5]B)(SiC3)	B(C[5]C[5,5]C[5])(C[6a]C[6a]2)2	C[5](C[5,5]C[5,6a]B[5,5]Si)(C[5]C[6a]C[5])(BC[6a]2){1|Si<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(B[5,5]C[5]N[5])(C[5]C[5]B)(SiC3){1|Si<4>,2|H<1>,4|C<3>}	B(C[5]C[5,5]C[5])(C[6a]C[6a]2)2	126.6420	0.000	1	126.6420	0.000	1	126.6420	0.000	1	126.6420	0.000	1	126.6420	0.000	1	126.9364	11.935	36
818	474	770	0:SP2_SP2_SP3	C[5]	C[5]	B	3:4:3:	4:3:1:1:	3:3:1:	N[5]-3:C[5]-4:B-3:	C[5]-4:C[5]-3:H-1:H-1:	C[3]-3:C[5]-3:Br-1:	C[5](N[5]C[6a]B[5])(C[5]C[5]HH)(BC[3]Br)	C[5](C[5]B[5]Si2)(C[5]N[5]B)(H)2	B(C[3]B[3]N[3])(C[5]C[5]N[5])(Br)	C[5](N[5]C[6a]B[5])(C[5]C[5]HH)(BC[3]Br){2|Si<4>,1|O<2>,2|C<3>}	C[5](C[5]B[5]Si2)(C[5]N[5]B)(H)2{1|C<3>,1|O<2>}	B(C[3]B[3]N[3])(C[5]C[5]N[5])(Br)	124.1190	0.000	1	124.1190	0.000	1	124.1190	0.000	1	124.1190	0.000	1	126.8997	12.582	34	126.9364	11.935	36
818	474	770	0:SP2_SP2_SP3	C[5]	C[5]	B	3:4:3:	4:3:4:4:	3:1:1:	N[5]-3:C[5]-4:B-3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-3:Cl-1:Cl-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BCl2)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	B(C[5]C[5]N[5])(Cl)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BCl2){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	B(C[5]C[5]N[5])(Cl)2	125.3140	0.000	1	125.3140	0.000	1	125.3140	0.000	1	125.3140	0.000	1	126.8997	12.582	34	126.9364	11.935	36
818	474	770	0:SP2_SP2_SP3	C[5]	C[5]	B	3:4:3:	4:3:4:4:	3:2:3:	N[5]-3:C[5]-4:B-3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-3:Se-2:B-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BSeB)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	B(C[5]C[5]N[5])(SeC[6a])(BNN)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BSeB){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	B(C[5]C[5]N[5])(SeC[6a])(BNN)	122.8105	0.728	2	122.8105	0.529	2	122.8105	0.529	2	122.8105	0.529	2	126.8997	12.582	34	126.9364	11.935	36
818	474	770	0:SP2_SP2_SP3	C[5]	C[5]	B	3:4:3:	4:3:4:4:	3:3:1:	N[5]-3:C[5]-4:B-3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-3:C[3]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[3]H)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CCHH)2	B(C[5]C[5]N[5])(C[3]C[3]2)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[3]H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]B)(CCHH)2{1|C<3>,2|C<4>}	B(C[5]C[5]N[5])(C[3]C[3]2)(H)	132.2220	0.000	1	132.2220	0.000	1	132.2220	0.000	1	128.8550	19.058	13	126.8997	12.582	34	126.9364	11.935	36
818	474	770	0:SP2_SP2_SP3	C[5]	C[5]	B	3:4:3:	4:3:4:4:	3:3:1:	N[5]-3:C[5]-4:B-3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-3:C[5]-3:Cl-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[5]Cl)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	B(C[5]C[5]N[5])(C[5]N[5]2)(Cl)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[5]Cl){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	B(C[5]C[5]N[5])(C[5]N[5]2)(Cl)	126.8845	1.153	4	126.8845	1.330	4	126.8845	1.330	4	128.8550	19.058	13	126.8997	12.582	34	126.9364	11.935	36
818	474	770	0:SP2_SP2_SP3	C[5]	C[5]	B	3:4:3:	4:3:4:4:	3:3:1:	N[5]-3:C[5]-4:B-3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-3:C[5]-3:F-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[5]F)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	B(C[5]C[5]N[5])2(F)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[5]F){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	B(C[5]C[5]N[5])2(F)	133.2887	1.053	4	133.2887	1.109	4	133.2887	1.109	4	128.8550	19.058	13	126.8997	12.582	34	126.9364	11.935	36
818	474	770	0:SP2_SP2_SP3	C[5]	C[5]	B	3:4:3:	4:3:4:4:	3:3:1:	N[5]-3:C[5]-4:B-3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[5]H)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CCHH)2	B(C[5]C[5]N[5])(C[5]N[5]2)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[5]H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]B)(CCHH)2{1|C<3>,2|C<4>}	B(C[5]C[5]N[5])(C[5]N[5]2)(H)	129.2220	0.000	1	129.2220	0.000	1	129.4810	0.134	2	128.8550	19.058	13	126.8997	12.582	34	126.9364	11.935	36
818	474	770	0:SP2_SP2_SP3	C[5]	C[5]	B	3:4:3:	4:3:4:4:	3:3:1:	N[5]-3:C[5]-4:B-3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[5]H)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	B(C[5]C[5]N[5])(C[5]N[5]2)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[5]H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	B(C[5]C[5]N[5])(C[5]N[5]2)(H)	129.7400	0.000	1	129.7400	0.000	1	129.4810	0.134	2	128.8550	19.058	13	126.8997	12.582	34	126.9364	11.935	36
818	474	770	0:SP2_SP2_SP3	C[5]	C[5]	B	3:4:3:	4:3:4:4:	3:3:1:	N[5]-3:C[5]-4:B-3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-3:N-3:Br-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BBrN)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	B(C[5]C[5]N[5])(NCC)(Br)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BBrN){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	B(C[5]C[5]N[5])(NCC)(Br)	119.3560	0.000	1	119.3560	0.000	1	119.3560	0.000	1	128.8550	19.058	13	126.8997	12.582	34	126.9364	11.935	36
818	474	770	0:SP2_SP2_SP3	C[5]	C[5]	B	3:4:3:	4:3:4:4:	3:3:1:	N[5]-3:C[5]-4:B-3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-3:N-3:Cl-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BClN)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	B(C[5]C[5]N[5])(NSi2)(Cl)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BClN){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	B(C[5]C[5]N[5])(NSi2)(Cl)	123.8820	0.000	1	123.8820	0.000	1	123.8820	0.000	1	128.8550	19.058	13	126.8997	12.582	34	126.9364	11.935	36
818	474	770	0:SP2_SP2_SP3	C[5]	C[5]	B	3:4:3:	4:3:4:4:	3:3:2:	N[5]-3:C[5]-4:B-3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-3:B-3:C-2:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BBC)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	B(C[5]C[5]N[5])(BC[5]2)(CO)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BBC){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	B(C[5]C[5]N[5])(BC[5]2)(CO)	124.0280	0.000	1	124.0280	0.000	1	124.0280	0.000	1	125.0960	0.962	4	126.8997	12.582	34	126.9364	11.935	36
818	474	770	0:SP2_SP2_SP3	C[5]	C[5]	B	3:4:3:	4:3:4:4:	3:3:2:	N[5]-3:C[5]-4:B-3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-3:C[5]-3:B-2:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[5]B)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	B(C[5]C[5]N[5])(C[5]N[5]2)(BC[5])	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[5]B){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	B(C[5]C[5]N[5])(C[5]N[5]2)(BC[5])	126.3950	0.000	1	126.3950	0.000	1	126.3950	0.000	1	125.0960	0.962	4	126.8997	12.582	34	126.9364	11.935	36
818	474	770	0:SP2_SP2_SP3	C[5]	C[5]	B	3:4:3:	4:3:4:4:	3:3:2:	N[5]-3:C[5]-4:B-3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-3:C[6a]-3:C-2:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[6a]C)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	B(C[5]C[5]N[5])(C[6a]C[6a]2)(CN)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[6a]C){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	B(C[5]C[5]N[5])(C[6a]C[6a]2)(CN)	125.1080	0.000	1	125.1080	0.000	1	124.9805	0.033	2	125.0960	0.962	4	126.8997	12.582	34	126.9364	11.935	36
818	474	770	0:SP2_SP2_SP3	C[5]	C[5]	B	3:4:3:	4:3:4:4:	3:3:2:	N[5]-3:C[5]-4:B-3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-3:C[6a]-3:C-2:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[6a]C)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	B(C[5]C[5]N[5])(C[6a]C[6a]2)(CO)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[6a]C){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	B(C[5]C[5]N[5])(C[6a]C[6a]2)(CO)	124.8530	0.000	1	124.8530	0.000	1	124.9805	0.033	2	125.0960	0.962	4	126.8997	12.582	34	126.9364	11.935	36
818	474	770	0:SP2_SP2_SP3	C[5]	C[5]	B	3:4:3:	4:3:4:4:	3:3:3:	N[5]-3:C[5]-4:B-3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-3:C[5]-3:B-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[5]B)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	B(C[5]C[5]N[5])(C[5]N[5]2)(BC[5]2)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[5]B){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	B(C[5]C[5]N[5])(C[5]N[5]2)(BC[5]2)	128.5375	0.015	2	128.5375	0.000	2	127.3200	2.220	4	125.7297	7.731	8	126.8997	12.582	34	126.9364	11.935	36
818	474	770	0:SP2_SP2_SP3	C[5]	C[5]	B	3:4:3:	4:3:4:4:	3:3:3:	N[5]-3:C[5]-4:B-3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-3:C[5]-3:B-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[5]B)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	B(C[5]C[5]N[5])(C[5]N[5]2)(BC[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[5]B){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	B(C[5]C[5]N[5])(C[5]N[5]2)(BC[5]C)	126.7070	0.000	1	126.7070	0.000	1	127.3200	2.220	4	125.7297	7.731	8	126.8997	12.582	34	126.9364	11.935	36
818	474	770	0:SP2_SP2_SP3	C[5]	C[5]	B	3:4:3:	4:3:4:4:	3:3:3:	N[5]-3:C[5]-4:B-3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-3:C[5]-3:B-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[5]B)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	B(C[5]C[5]N[5])(C[5]N[5]2)(BC[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[5]B){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	B(C[5]C[5]N[5])(C[5]N[5]2)(BC[5]H)	125.4980	0.000	1	125.4980	0.000	1	127.3200	2.220	4	125.7297	7.731	8	126.8997	12.582	34	126.9364	11.935	36
818	474	770	0:SP2_SP2_SP3	C[5]	C[5]	B	3:4:3:	4:3:4:4:	3:3:3:	N[5]-3:C[5]-4:B-3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[6a]C[5])	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	B(C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[6a]C[5]){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	B(C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]2)	126.3470	2.712	2	126.3470	7.357	2	126.3470	7.357	2	125.7297	7.731	8	126.8997	12.582	34	126.9364	11.935	36
818	474	770	0:SP2_SP2_SP3	C[5]	C[5]	B	3:4:3:	4:3:4:4:	3:3:3:	N[5]-3:C[5]-4:B-3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-3:C[6a]-3:N[6]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[6a]N[6])	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	B(C[5]C[5]N[5])(C[6a]C[6a]2)(N[6]C[6]2)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[6a]N[6]){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	B(C[5]C[5]N[5])(C[6a]C[6a]2)(N[6]C[6]2)	121.4990	0.000	1	121.4990	0.000	1	121.4990	0.000	1	125.7297	7.731	8	126.8997	12.582	34	126.9364	11.935	36
818	474	770	0:SP2_SP2_SP3	C[5]	C[5]	B	3:4:3:	4:3:4:4:	3:3:3:	N[5]-3:C[5]-4:B-3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-3:N[6]-3:B-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BN[6]B)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	B(C[5]C[5]N[5])(N[6]C[6]2)(BNN)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BN[6]B){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	B(C[5]C[5]N[5])(N[6]C[6]2)(BNN)	122.3650	0.000	1	122.3650	0.000	1	122.3650	0.000	1	125.7297	7.731	8	126.8997	12.582	34	126.9364	11.935	36
818	474	770	0:SP2_SP2_SP3	C[5]	C[5]	B	3:4:3:	4:3:4:4:	3:4:1:	N[5]-3:C[5]-4:B-3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-3:P-4:Cl-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BClP)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	B(C[5]C[5]N[5])(PC3)(Cl)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BClP){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	B(C[5]C[5]N[5])(PC3)(Cl)	127.6740	0.684	2	127.6740	0.469	2	127.6740	0.469	2	127.6740	0.469	2	126.8997	12.582	34	126.9364	11.935	36
818	474	770	0:SP2_SP2_SP3	C[5]	C[5]	B	4:3:3:	3:3:1:1:	3:3:3:	C[5]-4:C[5]-3:B-3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(BC[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]B)(H)2	B(C[6a]C[6a]2)2(C[5]C[5]2)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(BC[6a]2){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]B)(H)2{2|C<3>,2|H<1>}	B(C[6a]C[6a]2)2(C[5]C[5]2)	128.3730	2.236	2	128.3730	4.999	2	128.3730	4.999	2	127.6173	4.213	3	126.8997	12.582	34	126.9364	11.935	36
818	474	770	0:SP2_SP2_SP3	C[5]	C[5]	B	4:3:3:	3:3:1:1:	3:3:3:	C[5]-4:C[5]-3:B-3:	C[5]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5]HH)(C[5]C[5]H)(BC[6a]2)	C[5](C[5]C[5]B)(C[5]C[5]C)(H)2	B(C[6a]C[6a]2)2(C[5]C[5]2)	C[5](C[5]C[5]HH)(C[5]C[5]H)(BC[6a]2){1|C<4>,1|H<1>}	C[5](C[5]C[5]B)(C[5]C[5]C)(H)2{2|H<1>}	B(C[6a]C[6a]2)2(C[5]C[5]2)	126.1060	0.000	1	126.1060	0.000	1	126.1060	0.000	1	127.6173	4.213	3	126.8997	12.582	34	126.9364	11.935	36
818	474	786	0:SP2_SP3_SP3	C[5]	C[5]	B[5]	3:4:4:	3:4:4:4:	3:2:2:2:	N[5]-3:B[5]-4:C[5]-4:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-3:Se[5]-2:Se[5]-2:C-2:	C[5](N[5]C[6a]C[5])(B[5]Se[5]2C)(C[5]C[5]CC)	C[5](C[5]B[5]N[5])(C[5]C[5]HH)(CH3)2	B[5](C[5]C[5]N[5])(Se[5]Se[5])(Se[5]B[5])(CN)	C[5](N[5]C[6a]C[5])(B[5]Se[5]2C)(C[5]C[5]CC){1|Se<2>,1|B<4>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]B[5]N[5])(C[5]C[5]HH)(CH3)2{2|Se<2>,1|C<2>,1|C<3>,2|C<4>}	B[5](C[5]C[5]N[5])(Se[5]Se[5])(Se[5]B[5])(CN){1|C<2>,2|C<3>,4|C<4>}	125.4770	0.000	1	125.4770	0.000	1	125.4770	0.000	1	125.4770	0.000	1	125.8995	0.357	2	125.8995	0.357	2
818	474	786	0:SP2_SP3_SP3	C[5]	C[5]	B[5]	4:3:4:	3:4:4:4:	3:3:3:1:	B[5]-4:N[5]-3:C[5]-4:	C[5]-3:C[5]-4:C-4:C-4:	B[5]-3:C[5]-3:C[5]-3:H-1:	C[5](B[5]B[5]C[5]H)(N[5]C[6a]C[5])(C[5]C[5]CC)	C[5](C[5]B[5]N[5])(C[5]C[5]HH)(CH3)2	B[5](B[5]C[5]O[5])(C[5]C[5]N[5])(C[5]C[5]H)(H)	C[5](B[5]B[5]C[5]H)(N[5]C[6a]C[5])(C[5]C[5]CC){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[5](C[5]B[5]N[5])(C[5]C[5]HH)(CH3)2{1|B<3>,1|H<1>,2|C<3>,2|C<4>}	B[5](B[5]C[5]O[5])(C[5]C[5]N[5])(C[5]C[5]H)(H){1|C<3>,1|H<1>,1|N<3>,6|C<4>}	126.3220	0.000	1	126.3220	0.000	1	126.3220	0.000	1	126.3220	0.000	1	125.8995	0.357	2	125.8995	0.357	2
818	474	786	5:SP2_SP3_SP3	C[5]	C[5]	B[5]	4:4:2:	4:3:1:1:	4:3:3:3:	B[5]-4:C[5]-4:O-2:	C[5]-4:C[5]-3:H-1:H-1:	P[5]-4:C[6a]-3:C[6a]-3:C[5]-3:	C[5](B[5]C[6a]2P[5])(C[5]C[5]HH)(OB)	C[5](C[5]P[5]HH)(C[5]B[5]O)(H)2	B[5](P[5]C[6a]C[5]C)(C[6a]C[6a]2)2(C[5]C[5]O)	C[5](B[5]C[6a]2P[5])(C[5]C[5]HH)(OB){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5]P[5]HH)(C[5]B[5]O)(H)2{1|C<4>,3|C<3>}	B[5](P[5]C[6a]C[5]C)(C[6a]C[6a]2)2(C[5]C[5]O){4|F<1>,4|H<1>,6|C<3>}	116.9230	0.952	5	116.9230	0.906	5	116.9230	0.906	5	116.9230	0.906	5	116.9230	0.906	5	116.9230	0.906	5
818	474	790	0:SP2_SP-NON_SP3	C[5,6]	C[5,5,6]	Cl	4:3:1:	3:4:3:1:	3:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,6]-3:	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)	Cl(C[5,6]C[5,5,6]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>}	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[5,6]C[5,5,6]C[5,6])	123.6715	0.597	4	123.6715	0.357	4	123.6715	0.357	4	123.6715	0.357	4	124.2281	0.413	75	123.2968	1.925	127
818	474	790	0:SP2_SP-NON_SP3	C[5,6]	C[5,5,6]	Cl	4:3:1:	4:3:3:1:	3:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,5]-4:C[5,6]-3:C[5,6]-3:Cl-1:	C[5,6]-3:	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)	Cl(C[5,6]C[5,5,6]C[5,6])	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>}	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[5,6]C[5,5,6]C[5,6])	123.8085	0.390	2	123.8085	0.152	2	123.8085	0.152	2	123.8085	0.152	2	124.2281	0.413	75	123.2968	1.925	127
818	474	790	0:SP2_SP-NON_SP3	C[5,6]	C[5,5,6]	Cl	4:3:1:	4:4:3:1:	3:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[3x5]-4:C[5,6]-4:C[5,6]-3:Cl-1:	C[5,6]-3:	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)	Cl(C[5,6]C[5,5,6]C[5,6])	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>}	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[5,6]C[5,5,6]C[5,6])	124.2785	0.046	2	124.2785	0.002	2	124.2785	0.002	2	124.2725	0.406	69	124.2281	0.413	75	123.2968	1.925	127
818	474	790	0:SP2_SP-NON_SP3	C[5,6]	C[5,5,6]	Cl	4:3:1:	4:4:3:1:	3:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,3x6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,6]-3:	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)	Cl(C[5,6]C[5,5,6]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>}	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[5,6]C[5,5,6]C[5,6])	124.1403	0.372	4	124.1403	0.138	4	124.1403	0.138	4	124.2725	0.406	69	124.2281	0.413	75	123.2968	1.925	127
818	474	790	0:SP2_SP-NON_SP3	C[5,6]	C[5,5,6]	Cl	4:3:1:	4:4:3:1:	3:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,5,6,6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,6]-3:	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)	Cl(C[5,6]C[5,5,6]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>}	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[5,6]C[5,5,6]C[5,6])	124.0860	0.371	2	124.0860	0.137	2	124.0860	0.137	2	124.2725	0.406	69	124.2281	0.413	75	123.2968	1.925	127
818	474	790	0:SP2_SP-NON_SP3	C[5,6]	C[5,5,6]	Cl	4:3:1:	4:4:3:1:	3:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,6]-3:	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)	Cl(C[5,6]C[5,5,6]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>}	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[5,6]C[5,5,6]C[5,6])	123.3370	0.000	1	123.7744	0.136	10	124.0549	0.549	16	124.2725	0.406	69	124.2281	0.413	75	123.2968	1.925	127
818	474	790	0:SP2_SP-NON_SP3	C[5,6]	C[5,5,6]	Cl	4:3:1:	4:4:3:1:	3:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,6]-3:	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)	Cl(C[5,6]C[5,5,6]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>}	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[5,6]C[5,5,6]C[5,6])	123.7622	0.326	8	123.7744	0.136	10	124.0549	0.549	16	124.2725	0.406	69	124.2281	0.413	75	123.2968	1.925	127
818	474	790	0:SP2_SP-NON_SP3	C[5,6]	C[5,5,6]	Cl	4:3:1:	4:4:3:1:	3:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,6]-3:	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)	Cl(C[5,6]C[5,5,6]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>}	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[5,6]C[5,5,6]C[5,6])	124.3090	0.000	1	123.7744	0.136	10	124.0549	0.549	16	124.2725	0.406	69	124.2281	0.413	75	123.2968	1.925	127
818	474	790	0:SP2_SP-NON_SP3	C[5,6]	C[5,5,6]	Cl	4:3:1:	4:4:3:1:	3:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,6]-3:	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)	Cl(C[5,6]C[5,5,6]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>}	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[5,6]C[5,5,6]C[5,6])	124.1385	0.914	4	124.5223	0.985	6	124.0549	0.549	16	124.2725	0.406	69	124.2281	0.413	75	123.2968	1.925	127
818	474	790	0:SP2_SP-NON_SP3	C[5,6]	C[5,5,6]	Cl	4:3:1:	4:4:3:1:	3:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,6]-3:	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)	Cl(C[5,6]C[5,5,6]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>}	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[5,6]C[5,5,6]C[5,6])	125.8590	0.000	1	124.5223	0.985	6	124.0549	0.549	16	124.2725	0.406	69	124.2281	0.413	75	123.2968	1.925	127
818	474	790	0:SP2_SP-NON_SP3	C[5,6]	C[5,5,6]	Cl	4:3:1:	4:4:3:1:	3:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,6]-3:	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)	Cl(C[5,6]C[5,5,6]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>}	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[5,6]C[5,5,6]C[5,6])	124.7210	0.000	1	124.5223	0.985	6	124.0549	0.549	16	124.2725	0.406	69	124.2281	0.413	75	123.2968	1.925	127
818	474	790	0:SP2_SP-NON_SP3	C[5,6]	C[5,5,6]	Cl	4:3:1:	4:4:3:1:	3:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:Cl-1:	C[5,6]-3:	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)	Cl(C[5,6]C[5,5,6]C[5,6])	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>}	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[5,6]C[5,5,6]C[5,6])	124.3869	0.650	14	124.2213	0.454	25	124.2071	0.376	31	124.2725	0.406	69	124.2281	0.413	75	123.2968	1.925	127
818	474	790	0:SP2_SP-NON_SP3	C[5,6]	C[5,5,6]	Cl	4:3:1:	4:4:3:1:	3:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:Cl-1:	C[5,6]-3:	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)	Cl(C[5,6]C[5,5,6]C[5,6])	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>}	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[5,6]C[5,5,6]C[5,6])	122.5830	0.000	1	124.2213	0.454	25	124.2071	0.376	31	124.2725	0.406	69	124.2281	0.413	75	123.2968	1.925	127
818	474	790	0:SP2_SP-NON_SP3	C[5,6]	C[5,5,6]	Cl	4:3:1:	4:4:3:1:	3:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:Cl-1:	C[5,6]-3:	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)	Cl(C[5,6]C[5,5,6]C[5,6])	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>}	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[5,6]C[5,5,6]C[5,6])	124.1533	0.504	10	124.2213	0.454	25	124.2071	0.376	31	124.2725	0.406	69	124.2281	0.413	75	123.2968	1.925	127
818	474	790	0:SP2_SP-NON_SP3	C[5,6]	C[5,5,6]	Cl	4:3:1:	4:4:3:1:	3:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:Cl-1:	C[5,6]-3:	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)	Cl(C[5,6]C[5,5,6]C[5,6])	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>}	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[5,6]C[5,5,6]C[5,6])	123.7360	0.000	1	123.7360	0.000	1	124.2071	0.376	31	124.2725	0.406	69	124.2281	0.413	75	123.2968	1.925	127
818	474	790	0:SP2_SP-NON_SP3	C[5,6]	C[5,5,6]	Cl	4:3:1:	4:4:3:1:	3:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:Cl-1:	C[5,6]-3:	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)	Cl(C[5,6]C[5,5,6]C[5,6])	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>}	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[5,6]C[5,5,6]C[5,6])	124.4290	0.072	2	124.4290	0.005	2	124.2071	0.376	31	124.2725	0.406	69	124.2281	0.413	75	123.2968	1.925	127
818	474	790	0:SP2_SP-NON_SP3	C[5,6]	C[5,5,6]	Cl	4:3:1:	4:4:3:1:	3:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:Cl-1:	C[5,6]-3:	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)	Cl(C[5,6]C[5,5,6]C[5,6])	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>}	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[5,6]C[5,5,6]C[5,6])	124.0980	0.100	3	124.0980	0.010	3	124.2071	0.376	31	124.2725	0.406	69	124.2281	0.413	75	123.2968	1.925	127
818	474	790	0:SP2_SP-NON_SP3	C[5,6]	C[5,5,6]	Cl	4:3:1:	4:4:3:1:	3:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,6]-3:	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)	Cl(C[5,6]C[5,5,6]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>}	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[5,6]C[5,5,6]C[5,6])	124.6593	0.233	4	124.6593	0.054	4	124.7296	0.276	14	124.2725	0.406	69	124.2281	0.413	75	123.2968	1.925	127
818	474	790	0:SP2_SP-NON_SP3	C[5,6]	C[5,5,6]	Cl	4:3:1:	4:4:3:1:	3:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,6]-3:	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)	Cl(C[5,6]C[5,5,6]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>}	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[5,6]C[5,5,6]C[5,6])	124.2407	0.234	4	124.2407	0.055	4	124.7296	0.276	14	124.2725	0.406	69	124.2281	0.413	75	123.2968	1.925	127
818	474	790	0:SP2_SP-NON_SP3	C[5,6]	C[5,5,6]	Cl	4:3:1:	4:4:3:1:	3:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,6]-3:	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)	Cl(C[5,6]C[5,5,6]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>}	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[5,6]C[5,5,6]C[5,6])	125.3200	0.413	2	125.1025	0.291	6	124.7296	0.276	14	124.2725	0.406	69	124.2281	0.413	75	123.2968	1.925	127
818	474	790	0:SP2_SP-NON_SP3	C[5,6]	C[5,5,6]	Cl	4:3:1:	4:4:3:1:	3:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,6]-3:	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)	Cl(C[5,6]C[5,5,6]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>}	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[5,6]C[5,5,6]C[5,6])	124.9938	0.617	4	125.1025	0.291	6	124.7296	0.276	14	124.2725	0.406	69	124.2281	0.413	75	123.2968	1.925	127
818	474	790	0:SP2_SP-NON_SP3	C[5]	C[5,5,6]	Cl	4:3:1:	4:4:3:1:	3:	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]-3:	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)	Cl(C[5]C[5,5,6]C[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>}	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]C[5,5,6]C[5])	120.9650	0.000	1	120.9650	0.000	1	120.9650	0.000	1	120.9650	0.000	1	120.9650	0.000	1	123.2968	1.925	127
818	474	790	0:SP2_SP-NON_SP3	C[5]	C[5,5]	Cl	4:3:1:	3:3:3:1:	3:	C[5,5]-4:C[5]-3:Cl-1:	N[3x5]-3:C[5]-3:C[5]-3:Br-1:	C[5]-3:	C[5](C[5,5]N[3x5]C[5]Br)(C[5]C[5,5]Cl)(Cl)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Cl)2(Br)	Cl(C[5]C[5,5]C[5])	C[5](C[5,5]N[3x5]C[5]Br)(C[5]C[5,5]Cl)(Cl){1|Br<1>,1|Cl<1>,1|C<4>,2|C<3>}	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Cl)2(Br){2|Br<1>,2|Cl<1>,2|C<3>}	Cl(C[5]C[5,5]C[5])	122.2956	0.542	12	122.2956	0.294	12	122.2956	0.294	12	122.1658	0.207	29	122.2126	0.226	31	123.2968	1.925	127
818	474	790	0:SP2_SP-NON_SP3	C[5]	C[5,5]	Cl	4:3:1:	3:3:3:1:	3:	C[5,5]-4:C[5]-3:Cl-1:	N[3x5]-3:C[5]-3:C[5]-3:Cl-1:	C[5]-3:	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)	Cl(C[5]C[5,5]C[5])	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>}	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]C[5,5]C[5])	122.1608	0.355	11	122.1608	0.126	11	122.1608	0.126	11	122.1658	0.207	29	122.2126	0.226	31	123.2968	1.925	127
818	474	790	0:SP2_SP-NON_SP3	C[5]	C[5,5]	Cl	4:3:1:	3:3:3:1:	3:	C[5,5]-4:C[5]-3:Cl-1:	N[3x5]-3:C[5]-3:C[5]-3:H-1:	C[5]-3:	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]Cl)(Cl)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Cl)2(H)	Cl(C[5]C[5,5]C[5])	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]Cl)(Cl){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Cl)2(H){2|Cl<1>,2|C<3>,2|H<1>}	Cl(C[5]C[5,5]C[5])	121.9153	0.383	6	121.9153	0.147	6	121.9153	0.147	6	122.1658	0.207	29	122.2126	0.226	31	123.2968	1.925	127
818	474	790	0:SP2_SP-NON_SP3	C[5]	C[5,5]	Cl	4:3:1:	3:3:3:4:	3:	C[5,5]-4:C[5]-3:Cl-1:	N[5,5]-3:C[5]-3:C[5]-3:P-4:	C[5]-3:	C[5](C[5,5]N[5,5]C[5]P)(C[5]C[5]Cl)(Cl)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]O)(C[5]C[5]Cl)(PO3)	Cl(C[5]C[5,5]C[5])	C[5](C[5,5]N[5,5]C[5]P)(C[5]C[5]Cl)(Cl){2|C<3>,2|O<1>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]O)(C[5]C[5]Cl)(PO3){1|Cl<1>,1|O<1>,2|C<3>}	Cl(C[5]C[5,5]C[5])	122.8910	0.066	2	122.8910	0.004	2	122.8910	0.004	2	122.8910	0.004	2	122.2126	0.226	31	123.2968	1.925	127
818	474	790	0:SP2_SP-NON_SP3	C[5]	C[5,6]	Cl	4:3:1:	4:4:3:4:	3:	C[5,6]-4:C[5]-3:Cl-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(Cl)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]Cl)(CH3)	Cl(C[5]C[5,6]C[5])	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(Cl){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]Cl)(CH3){1|C<3>,2|C<4>,5|H<1>}	Cl(C[5]C[5,6]C[5])	120.7689	0.549	7	120.7689	0.301	7	120.7689	0.301	7	120.7689	0.301	7	120.7689	0.301	7	123.2968	1.925	127
818	474	790	0:SP2_SP-NON_SP3	C[5]	C[5]	Cl	3:4:1:	3:2:4:4:	3:	C[5]-3:C[5]-4:Cl-1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-3:	C[5](C[5]C[5,6]I)(C[5]O[5]CC)(Cl)	C[5](C[5]C[5]Cl)(O[5]C[5,6])(CH3)2	Cl(C[5]C[5]2)	C[5](C[5]C[5,6]I)(C[5]O[5]CC)(Cl){1|C<3>,1|O<2>}	C[5](C[5]C[5]Cl)(O[5]C[5,6])(CH3)2{1|C<3>,1|I<1>,1|O<2>}	Cl(C[5]C[5]2)	120.3500	0.000	1	120.3500	0.000	1	120.3500	0.000	1	120.3500	0.000	1	122.0495	2.626	13	123.2968	1.925	127
818	474	790	0:SP2_SP-NON_SP3	C[5]	C[5]	Cl	3:4:1:	3:3:1:1:	3:	N[5]-3:C[5]-4:Cl-1:	N[5]-3:C[5]-3:H-1:H-1:	C[5]-3:	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(Cl)	C[5](N[5]C[6a]B[5])(C[5]N[5]Cl)(H)2	Cl(C[5]C[5]N[5])	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(Cl){4|C<3>}	C[5](N[5]C[6a]B[5])(C[5]N[5]Cl)(H)2{4|C<3>}	Cl(C[5]C[5]N[5])	123.7840	0.928	2	123.7840	0.861	2	123.7840	0.861	2	123.7840	0.861	2	122.0495	2.626	13	123.2968	1.925	127
818	474	790	0:SP2_SP-NON_SP3	C[5]	C[5]	Cl	4:3:1:	3:2:4:1:	3:	C[5]-4:C[5]-3:Cl-1:	C[5]-3:O[5]-2:S-4:H-1:	C[5]-3:	C[5](C[5]O[5]HS)(C[5]C[5]Cl)(Cl)	C[5](C[5]C[5]Cl)(O[5]C[5])(SCOO)(H)	Cl(C[5]C[5]2)	C[5](C[5]O[5]HS)(C[5]C[5]Cl)(Cl){1|O<1>}	C[5](C[5]C[5]Cl)(O[5]C[5])(SCOO)(H){1|Cl<1>,1|O<1>}	Cl(C[5]C[5]2)	123.1427	0.486	3	123.1427	0.236	3	123.1427	0.236	3	123.1427	0.236	3	122.0495	2.626	13	123.2968	1.925	127
818	474	790	0:SP2_SP-NON_SP3	C[5]	C[5]	Cl	4:3:1:	3:3:1:1:	3:	C[5]-4:C[5]-3:Cl-1:	C[5]-3:C[5]-3:Cl-1:Cl-1:	C[5]-3:	C[5](C[5]C[5]Cl2)(C[5]C[5]Cl)(Cl)	C[5](C[5]C[5]Cl)2(Cl)2	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl2)(C[5]C[5]Cl)(Cl){2|Cl<1>}	C[5](C[5]C[5]Cl)2(Cl)2{2|Cl<1>}	Cl(C[5]C[5]2)	122.2595	0.308	4	122.2595	0.095	4	122.2595	0.095	4	122.2595	0.095	4	122.0495	2.626	13	123.2968	1.925	127
818	474	790	0:SP2_SP-NON_SP3	C[5]	C[5]	Cl	4:3:1:	4:3:1:1:	3:	C[5]-4:C[5]-3:Cl-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(Cl)	C[5](C[5]C[5]HH)(C[5]C[5]Cl)(H)2	Cl(C[5]C[5]2)	C[5](C[5]C[5]HH)(C[5]C[5]C)(Cl){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]Cl)(H)2{1|C<3>,2|H<1>}	Cl(C[5]C[5]2)	120.0440	0.000	1	120.0440	0.000	1	120.0440	0.000	1	120.0440	0.000	1	122.0495	2.626	13	123.2968	1.925	127
818	474	790	0:SP2_SP-NON_SP3	C[5]	C[5]	Cl	4:3:1:	4:3:2:2:	3:	C[5]-4:C[5]-3:Cl-1:	C[4,5]-4:C[5]-3:O-2:O-2:	C[5]-3:	C[5](C[5]C[4,5]OO)(C[5]C[4,5]Cl)(Cl)	C[5](C[4,5]C[4,4]C[4,5]H)(C[5]C[5]Cl)(OC)2	Cl(C[5]C[5]2)	C[5](C[5]C[4,5]OO)(C[5]C[4,5]Cl)(Cl){1|H<1>,1|O<2>,2|C<4>}	C[5](C[4,5]C[4,4]C[4,5]H)(C[5]C[5]Cl)(OC)2{1|Cl<1>,1|C<3>,1|C<4>,2|O<2>}	Cl(C[5]C[5]2)	121.7920	0.000	1	121.7920	0.000	1	121.7920	0.000	1	121.7920	0.000	1	122.0495	2.626	13	123.2968	1.925	127
818	474	790	0:SP2_SP-NON_SP3	C[5]	C[5]	Cl	4:3:1:	4:3:4:1:	3:	C[5]-4:C[5]-3:Cl-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-3:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]O)(Cl)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]Cl)(CH3)(H)	Cl(C[5]C[5]2)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]O)(Cl){1|Cl<1>,1|H<1>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]Cl)(CH3)(H){1|Cl<1>,2|O<2>,3|C<4>}	Cl(C[5]C[5]2)	118.4240	0.000	1	118.4240	0.000	1	118.4240	0.000	1	118.4240	0.000	1	122.0495	2.626	13	123.2968	1.925	127
818	474	813	0:SP2_SP2_SP3	C[5]	C[5,6]	N[5a]	3:4:3:	4:3:4:4:	3:3:2:	N[5a]-3:C[5,6]-4:C[5]-3:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5a,6a]-3:C[5]-3:N[5a]-2:	C[5](N[5a]C[5a,6a]N[5a])(C[5,6]C[5,6]C[6]C)(C[5]C[5]H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]N[5a]C[5])(C[6]C[6]HH)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6]C[5])(N[5a]C[5a])	C[5](N[5a]C[5a,6a]N[5a])(C[5,6]C[5,6]C[6]C)(C[5]C[5]H){2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]N[5a]C[5])(C[6]C[6]HH)(CH3){1|C<3>,1|N<2>,2|C<4>,6|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6]C[5])(N[5a]C[5a]){2|C<3>,3|H<1>,4|C<4>}	121.4430	0.000	1	121.4430	0.000	1	121.4430	0.000	1	121.4430	0.000	1	122.5215	2.326	2	123.3291	3.356	7
818	474	813	0:SP2_SP2_SP3	C[5]	C[5,6]	N[5a]	4:3:3:	4:3:4:4:	3:3:2:	C[5,6]-4:N[5a]-3:C[5]-3:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5]-3:C[5a]-3:N[5a]-2:	C[5](C[5,6]C[5,6]C[6]C)(N[5a]C[5a]N[5a])(C[5]C[5]H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]N[5a]C[5])(C[6]C[6]HH)(CH3)	N[5a](C[5]C[5,6]C[5])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[5](C[5,6]C[5,6]C[6]C)(N[5a]C[5a]N[5a])(C[5]C[5]H){2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]N[5a]C[5])(C[6]C[6]HH)(CH3){1|C<3>,1|N<2>,2|C<4>,6|H<1>}	N[5a](C[5]C[5,6]C[5])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|H<1>,2|C<3>,4|C<4>}	123.6000	0.000	1	123.6000	0.000	1	123.6000	0.000	1	123.6000	0.000	1	122.5215	2.326	2	123.3291	3.356	7
818	474	813	0:SP2_SP2_SP3	C[5]	C[5]	N[5,6a]	3:4:3:	3:3:4:1:	3:3:3:	N[5,6a]-3:C[5]-4:C[5]-3:	N[5,6]-3:C[5]-3:C[5]-4:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5](N[5,6a]C[6a,6a]C[5,6a])(C[5]N[5,6]C[5]H)(C[5]S[5]H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5,6a]C[5])(C[5]S[5]HH)(H)	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])(C[5]C[5]2)	C[5](N[5,6a]C[6a,6a]C[5,6a])(C[5]N[5,6]C[5]H)(C[5]S[5]H){1|S<2>,2|H<1>,5|C<3>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5,6a]C[5])(C[5]S[5]HH)(H){1|H<1>,1|S<2>,5|C<3>}	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])(C[5]C[5]2){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	125.6820	1.386	2	125.6820	1.921	2	125.6820	1.921	2	125.6820	1.921	2	125.6820	1.921	2	123.3291	3.356	7
818	474	813	0:SP2_SP2_SP3	C[5]	C[5]	N[5a]	3:4:2:	3:3:4:2:	3:3:3:	N[5a]-3:C[5]-4:N[5]-2:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6a]CO)(N[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]N[5])(CH3)(OH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]C[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6a]CO)(N[5]C[5,6a]){1|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]N[5])(CH3)(OH){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]C[5a]H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	122.0815	0.211	2	122.0815	0.045	2	122.0815	0.045	2	122.0815	0.045	2	122.2990	0.164	3	123.3291	3.356	7
818	474	813	0:SP2_SP2_SP3	C[5]	C[5]	N[5a]	3:4:3:	3:3:4:2:	3:3:3:	N[5a]-3:C[5]-4:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6a]CO)(N[5]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]N[5])(CCHH)(OH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]C[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6a]CO)(N[5]C[5,6a]H){1|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]N[5])(CCHH)(OH){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]C[5a]H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	122.7340	0.000	1	122.7340	0.000	1	122.7340	0.000	1	122.7340	0.000	1	122.2990	0.164	3	123.3291	3.356	7
818	474	813	5:SP2_SP2_SP3	C[5]	C[3x5]	N[5,5a]	3:4:1:	4:4:3:2:	3:3:3:	N[5,5a]-3:C[3x5]-4:O-1:	C[5,5]-4:C[5,5]-4:C[5]-3:O[5]-2:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[3x5]C[5,5]2O[5])(O)	C[3x5](C[5,5]C[5,5a]O[5]H)(C[5,5]C[5]O[5]H)(C[5]N[5,5a]O)(O[5]C[5])	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]C[5a])(C[5]C[3x5]O)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[3x5]C[5,5]2O[5])(O){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[3x5](C[5,5]C[5,5a]O[5]H)(C[5,5]C[5]O[5]H)(C[5]N[5,5a]O)(O[5]C[5]){1|H<1>,2|C<3>,3|C<4>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]C[5a])(C[5]C[3x5]O){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	104.6780	0.000	1	104.6780	0.000	1	104.6780	0.000	1	104.6780	0.000	1	104.6780	0.000	1	107.6249	3.363	19
818	474	813	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5,5a]	3:4:1:	4:3:2:4:	3:3:3:	N[5,5a]-3:C[5,5]-4:O-1:	C[5,5]-4:C[5]-3:S[5]-2:C[5]-4:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]S[5])(O)	C[5,5](C[5,5]C[5]2N[5])(C[5]N[5,5a]O)(S[5]C[5,5a])(C[5]C[5]CH)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]S[5])(C[5]C[5,5]O)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]S[5])(O){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	C[5,5](C[5,5]C[5]2N[5])(C[5]N[5,5a]O)(S[5]C[5,5a])(C[5]C[5]CH){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]S[5])(C[5]C[5,5]O){1|H<1>,2|C<4>,3|C<3>}	110.1710	0.000	1	110.1710	0.000	1	110.1710	0.000	1	110.1710	0.000	1	109.1545	2.817	6	107.6249	3.363	19
818	474	813	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5,5a]	3:4:1:	4:4:3:1:	3:3:3:	N[5,5a]-3:C[5,5]-4:O-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]H)(O)	C[5,5](C[5,5]C[5,5a]C[5]O)(C[5]C[6a]C[5]H)(C[5]N[5,5a]O)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]C[5a])(C[5]C[5,5]O)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]H)(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[5,5](C[5,5]C[5,5a]C[5]O)(C[5]C[6a]C[5]H)(C[5]N[5,5a]O)(H){3|H<1>,5|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]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	106.2170	0.000	1	106.2170	0.000	1	106.2170	0.000	1	106.2170	0.000	1	109.1545	2.817	6	107.6249	3.363	19
818	474	813	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5,5a]	3:4:1:	4:4:3:2:	3:3:3:	N[5,5a]-3:C[5,5]-4:O-1:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]S[5])(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,5a]O)(S[5]C[5,5a])	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5]C[5,5]O)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]S[5])(O){1|C<4>,1|H<1>,1|N<2>,1|N<3>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,5a]O)(S[5]C[5,5a]){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5]C[5,5]O){1|H<1>,2|C<3>,2|C<4>}	110.1743	0.060	3	110.1743	0.004	3	110.1743	0.004	3	110.1743	0.004	3	109.1545	2.817	6	107.6249	3.363	19
818	474	813	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5,5a]	4:3:1:	4:4:3:2:	3:3:2:	C[5,5]-4:N[5,5a]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,5a]-3:C[5]-3:N[5a]-2:	C[5](C[5,5]C[5,5]C[5]S[5])(N[5,5a]C[5,5a]N[5a])(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,5a]O)(S[5]C[5,5a])	N[5,5a](C[5,5a]N[5a]S[5])(C[5]C[5,5]O)(N[5a]C[5a])	C[5](C[5,5]C[5,5]C[5]S[5])(N[5,5a]C[5,5a]N[5a])(O){1|C<4>,1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,5a]O)(S[5]C[5,5a]){1|C<4>,1|N<3>,1|O<1>,2|H<1>,2|N<2>,4|C<3>}	N[5,5a](C[5,5a]N[5a]S[5])(C[5]C[5,5]O)(N[5a]C[5a]){1|H<1>,2|C<4>}	108.0160	0.000	1	108.0160	0.000	1	108.0160	0.000	1	108.0160	0.000	1	109.1545	2.817	6	107.6249	3.363	19
818	474	813	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5a]	3:4:1:	3:2:4:1:	3:3:3:	N[5,5a]-3:C[5]-4:O-1:	C[5]-3:S[5]-2:C-4:H-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5](N[5,5a]C[5,5a]C[5a])(C[5]S[5]CH)(O)	C[5](C[5]N[5,5a]O)(S[5]C[5,5a])(CH3)(H)	N[5,5a](C[5,5a]C[5a]S[5])(C[5a]C[6a]N[5a])(C[5]C[5]O)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]S[5]CH)(O){1|N<2>,2|C<3>}	C[5](C[5]N[5,5a]O)(S[5]C[5,5a])(CH3)(H){2|C<3>}	N[5,5a](C[5,5a]C[5a]S[5])(C[5a]C[6a]N[5a])(C[5]C[5]O){1|C<4>,1|H<1>,3|C<3>}	110.1460	0.000	1	110.1460	0.000	1	110.1460	0.000	1	110.1460	0.000	1	107.0584	3.259	5	107.6249	3.363	19
818	474	813	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5a]	3:4:1:	3:3:1:1:	3:3:3:	N[5,5a]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(O)	C[5](C[5]C[5,5a]O)(C[5]N[5,5a]O)(H)2	N[5,5a](C[5,5a]C[5a,6]C[5])(C[5a]C[5a,6]C)(C[5]C[5]O)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(O){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5]C[5,5a]O)(C[5]N[5,5a]O)(H)2{2|C<3>}	N[5,5a](C[5,5a]C[5a,6]C[5])(C[5a]C[5a,6]C)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	105.5620	0.000	1	105.5620	0.000	1	105.5620	0.000	1	105.5620	0.000	1	107.0584	3.259	5	107.6249	3.363	19
818	474	813	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5a]	3:4:1:	4:3:1:1:	3:3:3:	N[5,5a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(O)	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]O)(H)2	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(O){2|C<3>,3|H<1>}	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]O)(H)2{2|C<3>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O){6|H<1>}	106.3920	0.000	1	106.3920	0.000	1	106.3920	0.000	1	106.3920	0.000	1	107.0584	3.259	5	107.6249	3.363	19
818	474	813	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5a]	3:4:1:	4:3:4:1:	3:3:3:	N[5,5a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]CH)(O)	C[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]O)(CN[5]HH)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]CH)(O){1|H<1>,4|C<3>}	C[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]O)(CN[5]HH)(H){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]O){1|C<4>,3|C<3>,4|H<1>}	107.0390	0.000	1	107.0390	0.000	1	107.0390	0.000	1	106.5960	0.392	2	107.0584	3.259	5	107.6249	3.363	19
818	474	813	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5a]	3:4:1:	4:3:4:1:	3:3:3:	N[5,5a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:P-4:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HP)(O)	C[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]O)(PC[6a]2O)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HP)(O){1|H<1>,4|C<3>}	C[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]O)(PC[6a]2O)(H){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]O){1|P<4>,3|H<1>,4|C<3>}	106.1530	0.000	1	106.1530	0.000	1	106.1530	0.000	1	106.5960	0.392	2	107.0584	3.259	5	107.6249	3.363	19
818	474	813	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6a]	3:4:1:	4:3:1:1:	4:2:3:	N[5,6a]-3:C[5]-4:O-1:	N[5]-4:C[5]-3:H-1:H-1:	B[5,6a]-4:N[6a]-2:C[5]-3:	C[5](N[5,6a]B[5,6a]N[6a])(C[5]N[5]HH)(O)	C[5](N[5]B[5,6a]HH)(C[5]N[5,6a]O)(H)2	N[5,6a](B[5,6a]C[6a,6a]N[5]O)(N[6a]C[6a])(C[5]C[5]O)	C[5](N[5,6a]B[5,6a]N[6a])(C[5]N[5]HH)(O){1|O<2>,2|C<3>,2|H<1>}	C[5](N[5]B[5,6a]HH)(C[5]N[5,6a]O)(H)2{1|C<3>,1|N<2>,1|O<2>}	N[5,6a](B[5,6a]C[6a,6a]N[5]O)(N[6a]C[6a])(C[5]C[5]O){1|C<4>,2|C<3>,4|H<1>}	108.2740	0.000	1	108.3000	0.001	2	108.3000	0.001	2	108.3000	0.001	2	107.1396	1.240	7	107.6249	3.363	19
818	474	813	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6a]	3:4:1:	4:3:1:1:	4:2:3:	N[5,6a]-3:C[5]-4:O-1:	N[5]-4:C[5]-3:H-1:H-1:	B[5,6a]-4:N[6a]-2:C[5]-3:	C[5](N[5,6a]B[5,6a]N[6a])(C[5]N[5]HH)(O)	C[5](N[5]B[5,6a]HH)(C[5]N[5,6a]O)(H)2	N[5,6a](B[5,6a]C[6a,6a]N[5]O)(N[6a]C[6a])(C[5]C[5]O)	C[5](N[5,6a]B[5,6a]N[6a])(C[5]N[5]HH)(O){1|O<2>,2|C<3>,2|H<1>}	C[5](N[5]B[5,6a]HH)(C[5]N[5,6a]O)(H)2{1|C<3>,1|N<2>,1|O<2>}	N[5,6a](B[5,6a]C[6a,6a]N[5]O)(N[6a]C[6a])(C[5]C[5]O){2|C<3>,5|H<1>}	108.3260	0.000	1	108.3000	0.001	2	108.3000	0.001	2	108.3000	0.001	2	107.1396	1.240	7	107.6249	3.363	19
818	474	813	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6a]	3:4:1:	4:3:4:1:	4:2:3:	N[5,6a]-3:C[5]-4:O-1:	N[5]-4:C[5]-3:C-4:H-1:	B[5,6a]-4:N[6a]-2:C[5]-3:	C[5](N[5,6a]B[5,6a]N[6a])(C[5]N[5]CH)(O)	C[5](N[5]B[5,6a]CC)(C[5]N[5,6a]O)(CC[6a]HH)(H)	N[5,6a](B[5,6a]C[6a,6a]N[5]O)(N[6a]C[6a])(C[5]C[5]O)	C[5](N[5,6a]B[5,6a]N[6a])(C[5]N[5]CH)(O){1|O<2>,2|C<3>,2|C<4>}	C[5](N[5]B[5,6a]CC)(C[5]N[5,6a]O)(CC[6a]HH)(H){1|C<3>,1|N<2>,1|O<2>}	N[5,6a](B[5,6a]C[6a,6a]N[5]O)(N[6a]C[6a])(C[5]C[5]O){2|C<3>,2|H<1>,3|C<4>}	107.3370	0.000	1	107.3370	0.000	1	107.6465	0.192	2	107.6465	0.192	2	107.1396	1.240	7	107.6249	3.363	19
818	474	813	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6a]	3:4:1:	4:3:4:1:	4:2:3:	N[5,6a]-3:C[5]-4:O-1:	N[5]-4:C[5]-3:C-4:H-1:	B[5,6a]-4:N[6a]-2:C[5]-3:	C[5](N[5,6a]B[5,6a]N[6a])(C[5]N[5]CH)(O)	C[5](N[5]B[5,6a]HH)(C[5]N[5,6a]O)(CC[6a]HH)(H)	N[5,6a](B[5,6a]C[6a,6a]N[5]O)(N[6a]C[6a])(C[5]C[5]O)	C[5](N[5,6a]B[5,6a]N[6a])(C[5]N[5]CH)(O){1|O<2>,2|C<3>,2|H<1>}	C[5](N[5]B[5,6a]HH)(C[5]N[5,6a]O)(CC[6a]HH)(H){1|C<3>,1|N<2>,1|O<2>}	N[5,6a](B[5,6a]C[6a,6a]N[5]O)(N[6a]C[6a])(C[5]C[5]O){1|C<4>,2|C<3>,4|H<1>}	107.9560	0.000	1	107.9560	0.000	1	107.6465	0.192	2	107.6465	0.192	2	107.1396	1.240	7	107.6249	3.363	19
818	474	813	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6a]	3:4:3:	3:3:1:1:	3:3:3:	N[5,6a]-3:C[5]-4:C-3:	C[5]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CClH)	C[5](C[5]N[5,6a]C)(N[5]C[5,6a]C)(H)2	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]C)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CClH){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5]N[5,6a]C)(N[5]C[5,6a]C)(H)2{2|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]C){1|C<3>,1|C<4>,2|C<2>,2|H<1>}	105.7220	0.000	1	105.7220	0.000	1	106.0280	0.166	3	106.0280	0.166	3	107.1396	1.240	7	107.6249	3.363	19
818	474	813	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6a]	3:4:3:	3:3:1:1:	3:3:3:	N[5,6a]-3:C[5]-4:C-3:	C[5]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CHH)	C[5](C[5]N[5,6a]C)(N[5]C[5,6a]S)(H)2	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(C[5]C[5]C)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CHH){1|O<1>,1|S<4>,2|N<2>}	C[5](C[5]N[5,6a]C)(N[5]C[5,6a]S)(H)2{1|C<3>,1|N<2>}	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(C[5]C[5]C){1|C<3>,1|S<4>,2|H<1>}	105.8710	0.000	1	105.8710	0.000	1	106.0280	0.166	3	106.0280	0.166	3	107.1396	1.240	7	107.6249	3.363	19
818	474	813	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6a]	3:4:3:	3:3:1:1:	3:3:3:	N[5,6a]-3:C[5]-4:C-3:	C[5]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CHI)	C[5](C[5]N[5,6a]C)(N[5]C[5,6a]S)(H)2	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(C[5]C[5]C)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CHI){1|O<1>,1|S<4>,2|N<2>}	C[5](C[5]N[5,6a]C)(N[5]C[5,6a]S)(H)2{1|C<3>,1|N<2>}	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(C[5]C[5]C){1|C<3>,1|S<4>,2|H<1>}	106.4910	0.000	1	106.4910	0.000	1	106.0280	0.166	3	106.0280	0.166	3	107.1396	1.240	7	107.6249	3.363	19
818	474	818	0:SP2_SP2_SP3	C[3x5]	C[5,5,6]	C[5]	4:4:3:	3:3:4:1:	3:3:4:	C[3x5,6]-4:C[5,5,6]-4:C[5]-3:	C[5,6,6a]-3:C[3x5]-3:C[5,6]-4:H-1:	C[3x5]-3:C[5,6]-3:Si-4:	C[3x5](C[3x5,6]C[5,6,6a]C[5,6]2)(C[5,5,6]C[5,6,6a]C[5,6]H)(C[5]C[5,6]Si)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3x5]C[3x5,6]C[5])(C[5,6]C[5,6]CC)(H)	C[5](C[3x5]C[3x5,6]C[5,5,6])(C[5,6]C[5,6]C[6])(SiC3)	C[3x5](C[3x5,6]C[5,6,6a]C[5,6]2)(C[5,5,6]C[5,6,6a]C[5,6]H)(C[5]C[5,6]Si){1|C<4>,3|C<3>,4|C<2>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3x5]C[3x5,6]C[5])(C[5,6]C[5,6]CC)(H){1|Si<4>,1|H<1>,2|C<2>,4|C<3>}	C[5](C[3x5]C[3x5,6]C[5,5,6])(C[5,6]C[5,6]C[6])(SiC3){3|C<3>,3|C<4>,3|H<1>}	146.9070	0.000	1	146.9070	0.000	1	146.9070	0.000	1	146.9070	0.000	1	146.9070	0.000	1	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5]	4:3:3:	3:4:4:1:	3:3:1:	C[5,5,6]-4:C[5,5,6]-3:C[5]-3:	C[5,5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-3:N[5]-3:H-1:	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]N[5])(C[5]N[5]H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5](C[5,5,6]C[5,5,6]2)(N[5]N[5]C)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]N[5])(C[5]N[5]H){1|Zn<4>,2|H<1>,5|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<4>,2|N<3>,3|H<1>}	C[5](C[5,5,6]C[5,5,6]2)(N[5]N[5]C)(H){1|Zn<4>,1|H<1>,3|C<4>}	148.4355	0.070	4	148.4355	0.005	4	148.4355	0.005	4	148.4355	0.005	4	146.8856	12.015	5	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5]	4:4:3:	3:3:3:4:	3:3:3:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:	C[5,5,6]-3:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,6a]-3:C[5,5,6]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,5,6]C[5,6a]C[5,6]2)(C[5]C[5,6a]C[6a])	C[5,5,6](C[5,5,6]C[5,5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]C[5,6]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2)(C[6a]C[6a]2)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,5,6]C[5,6a]C[5,6]2)(C[5]C[5,6a]C[6a]){11|C<3>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]C[5,6]HH){10|C<3>,1|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2)(C[6a]C[6a]2){3|Cl<1>,2|C<4>,7|C<3>}	140.6860	0.000	1	140.6860	0.000	1	140.6860	0.000	1	140.6860	0.000	1	146.8856	12.015	5	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6]	4:4:3:	3:4:4:1:	3:4:1:	C[3x5,6]-4:C[5,6]-4:C[5,6]-3:	C[5,5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,5,6]-3:C[5,5,6]-4:H-1:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,6]C[6]H)(C[5,6]C[5,5,6]H)	C[5,6](C[5,5,6]C[3x5,6]C[5,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5,6])(C[5,5,6]C[5,5]C[5,6]O)(H)	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,6]C[6]H)(C[5,6]C[5,5,6]H){2|Cl<1>,1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){4|C<4>,7|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5,6])(C[5,5,6]C[5,5]C[5,6]O)(H){2|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	140.5610	0.000	1	140.5610	0.000	1	140.5610	0.000	1	140.5610	0.000	1	140.4023	0.073	3	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6]	4:4:3:	3:4:4:4:	4:3:1:	C[3x5,6]-4:C[5,6]-4:C[5,6]-3:	C[5,5,6]-3:C[5,6]-4:C[6]-4:C-4:	C[5,5,6]-4:C[5,5,6]-3:H-1:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,6]C[6]C)(C[5,6]C[5,5,6]H)	C[5,6](C[5,5,6]C[3x5,6]C[5,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CCl2H)	C[5,6](C[5,5,6]C[3,5,6]C[5,5]O)(C[5,5,6]C[3x5,6]C[5,6])(H)	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,6]C[6]C)(C[5,6]C[5,5,6]H){1|O<2>,3|C<4>,9|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CCl2H){4|C<4>,7|H<1>}	C[5,6](C[5,5,6]C[3,5,6]C[5,5]O)(C[5,5,6]C[3x5,6]C[5,6])(H){2|H<1>,7|C<4>}	140.3230	0.330	2	140.3230	0.109	2	140.3230	0.109	2	140.3230	0.109	2	140.4023	0.073	3	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5,6]	C[5]	C[5,6]	4:3:4:	3:2:1:1:	4:3:1:	C[4x5,6]-4:C[5,6]-3:C[5]-4:	C[5,5,6]-3:O[5]-2:H-1:H-1:	C[3x5,6]-4:C[5,5,6]-3:H-1:	C[5,5,6](C[4x5,6]C[3,5,5,6]C[4x5]C[5])(C[5,6]C[3x5,6]H)(C[5]O[5]HH)	C[5](C[5,5,6]C[4x5,6]C[5,6])(O[5]C[5])(H)2	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]H)(C[5,5,6]C[4x5,6]C[5])(H)	C[5,5,6](C[4x5,6]C[3,5,5,6]C[4x5]C[5])(C[5,6]C[3x5,6]H)(C[5]O[5]HH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5,5,6]C[4x5,6]C[5,6])(O[5]C[5])(H)2{1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]H)(C[5,5,6]C[4x5,6]C[5])(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	142.7530	0.000	1	142.7530	0.000	1	142.7530	0.000	1	142.7530	0.000	1	141.3640	3.859	2	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5,6]	C[5]	C[5,6]	4:3:4:	3:4:1:1:	4:3:1:	C[3x5,6]-4:C[5,6]-3:C[5]-4:	C[5,5,6]-3:C[5]-4:H-1:H-1:	C[3x5,6]-4:C[5,5,6]-3:H-1:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[3x5,6]H)(C[5]C[5]HH)	C[5](C[5,5,6]C[3x5,6]C[5,6])(C[5]C[5]HH)(H)2	C[5,6](C[3x5,6]C[5,5,6]C[5,5]N[5])(C[5,5,6]C[3x5,6]C[5])(H)	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[3x5,6]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[5](C[5,5,6]C[3x5,6]C[5,6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[3x5,6]C[5,5,6]C[5,5]N[5])(C[5,5,6]C[3x5,6]C[5])(H){1|C<3>,1|S<4>,3|H<1>,5|C<4>}	139.9750	0.000	1	139.9750	0.000	1	139.9750	0.000	1	139.9750	0.000	1	141.3640	3.859	2	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5,5,4x6]	C[5]	4:4:3:	4:4:3:4:	3:2:2:	C[4,5,5,6]-4:C[5,5,4x6]-4:C[5]-3:	C[4,5,4x6]-4:C[5,5x6]-4:C[5,5]-3:C-4:	C[5,5]-3:S[5]-2:S[5]-2:	C[5,5](C[4,5,5,6]C[4,4,5,6,6]C[4,5,4x6]C)(C[5,5,4x6]C[4,5,4x6]C[5,5x6]C)(C[5]S[5]2)	C[5,5,4x6](C[4,5,4x6]C[4,4,5,6,6]C[4,3x6]C[6a])(C[5,5x6]C[4,5,4x6]C[6,6]H)(C[5,5]C[4,5,5,6]C[5])(CH3)	C[5](C[5,5]C[4,5,5,6]C[5,5,4x6])(S[5]C[5,6a])2	C[5,5](C[4,5,5,6]C[4,4,5,6,6]C[4,5,4x6]C)(C[5,5,4x6]C[4,5,4x6]C[5,5x6]C)(C[5]S[5]2){2|H<1>,3|C<4>,4|C<3>}	C[5,5,4x6](C[4,5,4x6]C[4,4,5,6,6]C[4,3x6]C[6a])(C[5,5x6]C[4,5,4x6]C[6,6]H)(C[5,5]C[4,5,5,6]C[5])(CH3){2|S<2>,3|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5]C[4,5,5,6]C[5,5,4x6])(S[5]C[5,6a])2{2|C<3>,6|C<4>}	131.6140	0.000	1	131.6140	0.000	1	131.6140	0.000	1	131.6140	0.000	1	131.6140	0.000	1	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5,5,6]	C[5]	4:4:3:	3:4:4:4:	3:4:4:	C[5,5,6]-4:C[5,5]-4:C[5]-3:	C[5,5]-3:C[5,6]-4:C[5,6]-4:C[5]-4:	C[5,5]-3:C[5]-4:C-4:	C[5,5](C[5,5,6]C[5,6]2C[5])(C[5,5]C[5]2H)(C[5]C[5]C)	C[5,5,6](C[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]C)(C[5,6]C[5]N[6]C)(C[5]C[5]HH)	C[5](C[5,5]C[5,5,6]C[5,5])(C[5]C[5]HH)(CCHH)	C[5,5](C[5,5,6]C[5,6]2C[5])(C[5,5]C[5]2H)(C[5]C[5]C){1|C<3>,1|N<3>,5|C<4>,7|H<1>}	C[5,5,6](C[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]C)(C[5,6]C[5]N[6]C)(C[5]C[5]HH){1|C<3>,5|C<4>,8|H<1>}	C[5](C[5,5]C[5,5,6]C[5,5])(C[5]C[5]HH)(CCHH){3|H<1>,4|C<4>}	136.8255	0.337	2	136.8255	0.114	2	136.8255	0.114	2	136.8255	0.114	2	136.8255	0.114	2	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	4:3:3:	3:4:3:1:	3:3:1:	C[5,5]-4:C[5,5]-3:C[5]-3:	C[5,5]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-3:C[5]-3:H-1:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2)(C[5]C[5]H)	C[5,5](C[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]2)(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2)(C[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5,5](C[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]2)(C[5]C[5]H)(H){1|C<4>,2|C<3>,2|H<1>}	142.1480	0.000	1	142.1480	0.000	1	142.1480	0.000	1	142.1480	0.000	1	137.9832	8.937	4	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	4:4:3:	3:4:4:1:	3:4:4:	C[5,5]-4:C[5,5]-4:C[5]-3:	C[5,5]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-3:C[5]-4:C-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2C)(C[5]C[5]C)	C[5,5](C[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]2)(C[5]C[5]HH)(CH3)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2C)(C[5]C[5]C){1|O<1>,2|C<4>,7|H<1>}	C[5,5](C[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	C[5](C[5,5]C[5,5]2)(C[5]C[5]HH)(CH3){2|C<3>,2|C<4>,3|H<1>}	135.8225	0.320	2	135.8225	0.103	2	135.8225	0.103	2	135.8225	0.103	2	137.9832	8.937	4	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	4:4:3:	4:3:4:4:	3:3:1:	C[5,5]-4:C[5,5]-4:C[5]-3:	C[5,6]-4:C[5,5]-3:C[5]-4:C[5]-4:	C[5,5]-3:C[5]-3:Cl-1:	C[5,5](C[5,5]C[5,6]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]Cl)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]C[5]HO)	C[5](C[5,5]C[5,5]2)(C[5]C[5]O)(Cl)	C[5,5](C[5,5]C[5,6]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]Cl){1|O<1>,1|O<2>,5|H<1>,6|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]C[5]HO){1|Cl<1>,1|C<3>,3|C<4>,8|H<1>}	C[5](C[5,5]C[5,5]2)(C[5]C[5]O)(Cl){1|H<1>,6|C<4>}	138.1400	0.000	1	138.1400	0.000	1	138.1400	0.000	1	138.1400	0.000	1	137.9832	8.937	4	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5,6,6]	C[5]	4:4:3:	4:3:4:4:	3:4:4:	C[5,6,6]-4:C[5,5]-4:C[5]-3:	C[5,6,6]-4:C[5,5]-3:C[6,6]-4:C[5]-4:	C[5,5]-3:C[5]-4:C-4:	C[5,5](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]C)	C[5,6,6](C[5,6,6]C[5,6]N[5,6]H)(C[5,5]C[5,5]C[5])(C[6,6]C[6]2C)(C[5]C[5]HH)	C[5](C[5,5]C[5,6,6]C[5,5])(C[5]C[5]HH)(CCHH)	C[5,5](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]C){1|C<3>,1|N<3>,4|C<4>,8|H<1>}	C[5,6,6](C[5,6,6]C[5,6]N[5,6]H)(C[5,5]C[5,5]C[5])(C[6,6]C[6]2C)(C[5]C[5]HH){1|C<3>,1|O<2>,5|H<1>,8|C<4>}	C[5](C[5,5]C[5,6,6]C[5,5])(C[5]C[5]HH)(CCHH){3|H<1>,4|C<4>}	137.4250	0.000	1	137.4250	0.000	1	137.0605	0.266	2	137.0605	0.266	2	137.0605	0.266	2	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5,6,6]	C[5]	4:4:3:	4:3:4:4:	3:4:4:	C[5,6,6]-4:C[5,5]-4:C[5]-3:	C[5,6,6]-4:C[5,5]-3:C[6,6]-4:C[5]-4:	C[5,5]-3:C[5]-4:C-4:	C[5,5](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]C)	C[5,6,6](C[5,6,6]C[5,6]N[5,6]O)(C[5,5]C[5,5]C[5])(C[6,6]C[6]2C)(C[5]C[5]HH)	C[5](C[5,5]C[5,6,6]C[5,5])(C[5]C[5]HH)(CCHH)	C[5,5](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]C){1|C<3>,1|N<3>,1|O<2>,4|C<4>,7|H<1>}	C[5,6,6](C[5,6,6]C[5,6]N[5,6]O)(C[5,5]C[5,5]C[5])(C[6,6]C[6]2C)(C[5]C[5]HH){1|C<3>,1|O<2>,5|H<1>,8|C<4>}	C[5](C[5,5]C[5,6,6]C[5,5])(C[5]C[5]HH)(CCHH){3|H<1>,4|C<4>}	136.6960	0.000	1	136.6960	0.000	1	137.0605	0.266	2	137.0605	0.266	2	137.0605	0.266	2	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5,6]	C[5]	4:3:4:	3:4:4:1:	3:3:3:	C[5,6]-4:C[5]-3:C[5,5]-4:	C[5,5]-3:C[5,6]-4:C[6]-4:H-1:	C[5,5]-3:C[5a]-3:C[5]-3:	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5a]C[5])(C[5,5]C[5]2H)	C[5,6](C[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(H)	C[5](C[5,5]C[5,5]C[5,6])(C[5a]C[5a]S[5a])(C[5]C[5]O)	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5a]C[5])(C[5,5]C[5]2H){1|C<4>,1|O<1>,1|S<2>,3|C<3>,6|H<1>}	C[5,6](C[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[5](C[5,5]C[5,5]C[5,6])(C[5a]C[5a]S[5a])(C[5]C[5]O){2|C<3>,3|C<4>,5|H<1>}	134.0395	0.318	4	134.0395	0.101	4	134.0395	0.101	4	134.2194	0.238	5	135.8579	3.065	11	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5,6]	C[5]	4:3:4:	3:4:4:1:	3:3:3:	C[5,6]-4:C[5]-3:C[5,5]-4:	C[5,5]-3:C[5,6]-4:C[6]-4:H-1:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5])(C[5,5]C[5]2H)	C[5,6](C[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(H)	C[5](C[5,5]C[5,5]C[5,6])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5])(C[5,5]C[5]2H){1|C<4>,1|O<1>,4|C<3>,6|H<1>}	C[5,6](C[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[5](C[5,5]C[5,5]C[5,6])(C[6a]C[6a]2)(C[5]C[5]O){2|C<3>,3|C<4>,6|H<1>}	134.9390	0.000	1	134.9390	0.000	1	134.9390	0.000	1	134.2194	0.238	5	135.8579	3.065	11	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5,6]	C[5]	4:4:3:	3:4:4:4:	3:3:4:	C[5,6]-4:C[5,5]-4:C[5]-3:	C[5,5]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5,5]-3:C[5]-3:C-4:	C[5,5](C[5,6]C[6,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]C)	C[5,6](C[5,5]C[5,5]C[5])(C[6,6]C[6]3)(C[5]C[5]HH)(C[6]N[6]HH)	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5]O)(CCHH)	C[5,5](C[5,6]C[6,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]C){1|C<3>,1|N<3>,1|O<1>,3|C<4>,7|H<1>}	C[5,6](C[5,5]C[5,5]C[5])(C[6,6]C[6]3)(C[5]C[5]HH)(C[6]N[6]HH){1|O<2>,2|C<3>,6|C<4>,7|H<1>}	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5]O)(CCHH){3|H<1>,4|C<4>}	136.8330	0.000	1	136.8330	0.000	1	136.8330	0.000	1	136.8330	0.000	1	135.8579	3.065	11	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5,6]	C[5]	4:4:3:	4:3:3:4:	3:4:4:	C[5,6]-4:C[5,5]-4:C[5]-3:	C[5,6]-4:C[5,5]-3:C[6]-3:C[5]-4:	C[5,5]-3:C[5]-4:C-4:	C[5,5](C[5,6]C[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]C)	C[5,6](C[5,6]C[5,6,6]C[5]C)(C[5,5]C[5,5]C[5])(C[6]C[6,6]O)(C[5]C[5]HH)	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(CCHH)	C[5,5](C[5,6]C[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]C){1|C<3>,1|O<1>,4|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6,6]C[5]C)(C[5,5]C[5,5]C[5])(C[6]C[6,6]O)(C[5]C[5]HH){1|C<3>,1|N<3>,5|H<1>,7|C<4>}	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(CCHH){1|C<3>,3|C<4>,3|H<1>}	138.7110	0.000	1	138.7110	0.000	1	138.7110	0.000	1	137.2660	4.176	2	135.8579	3.065	11	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5,6]	C[5]	4:4:3:	4:3:3:4:	3:4:4:	C[5,6]-4:C[5,5]-4:C[5]-3:	C[6,6]-4:C[5,5]-3:C[6]-3:C[5]-4:	C[5,5]-3:C[5]-4:C-4:	C[5,5](C[5,6]C[6,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]C)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,5]C[5,5]C[5])(C[6]C[5,6]O)(C[5]C[5]HH)	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(CCHH)	C[5,5](C[5,6]C[6,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]C){1|C<3>,1|O<1>,4|C<4>,7|H<1>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,5]C[5,5]C[5])(C[6]C[5,6]O)(C[5]C[5]HH){1|C<3>,1|O<2>,5|H<1>,7|C<4>}	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(CCHH){1|C<3>,3|C<4>,3|H<1>}	135.8210	0.000	1	135.8210	0.000	1	135.8210	0.000	1	137.2660	4.176	2	135.8579	3.065	11	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5,6]	C[5]	4:4:3:	4:3:4:4:	3:4:4:	C[5,6]-4:C[5,5]-4:C[5]-3:	C[5,6]-4:C[5,5]-3:C[6]-4:C-4:	C[5,5]-3:C[5]-4:C-4:	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]C)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,5]C[5,5]C[5])(C[6]C[6,6]CH)(CH3)	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5a]C[5]H)(CH3)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]C){1|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,5]C[5,5]C[5])(C[6]C[6,6]CH)(CH3){1|O<2>,2|H<1>,6|C<4>}	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5a]C[5]H)(CH3){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	137.3250	0.603	3	137.3250	0.363	3	137.3250	0.363	3	137.3250	0.363	3	135.8579	3.065	11	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5,5]	3:3:4:	3:4:1:1:	3:3:4:	C[5,5]-3:C[5,5]-3:C[5]-4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5,5]-3:C[5]-4:	C[5,5](C[5,5]C[5,5]C[5])2(C[5]C[5]HH)	C[5](C[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5,5]C[5])2(C[5]C[5]HH)	C[5,5](C[5,5]C[5,5]C[5])2(C[5]C[5]HH){2|C<4>,2|O<2>,6|H<1>}	C[5](C[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,5]C[5])2(C[5]C[5]HH){2|C<4>,2|O<2>,6|H<1>}	137.9135	0.528	2	137.9135	0.279	2	137.9135	0.279	2	137.9135	0.279	2	137.9135	0.279	2	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6]-3:N[5,5]-3:C[5]-4:	C[5,5]-3:C[5,5]-4:H-1:H-1:	C[4,6]-3:C[5,5]-3:N[5,6]-3:	C[5,5](C[5,6]C[4,6]N[5,6])(N[5,5]C[5,5]Si[5])(C[5]C[5,5]HH)	C[5](C[5,5]C[5,6]N[5,5])(C[5,5]C[5,5]C[5]H)(H)2	C[5,6](C[4,6]C[4,6]Si[4])(C[5,5]N[5,5]C[5])(N[5,6]Si[5]C[6])	C[5,5](C[5,6]C[4,6]N[5,6])(N[5,5]C[5,5]Si[5])(C[5]C[5,5]HH){1|Si<4>,2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,5]C[5,6]N[5,5])(C[5,5]C[5,5]C[5]H)(H)2{1|Si<4>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5,6](C[4,6]C[4,6]Si[4])(C[5,5]N[5,5]C[5])(N[5,6]Si[5]C[6]){1|Si<4>,1|C<3>,3|H<1>,6|C<4>}	133.3920	0.000	1	133.3920	0.000	1	133.3920	0.000	1	134.6293	1.881	4	134.6293	1.881	4	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5,6]	3:3:4:	3:4:1:1:	3:3:3:	N[5,5]-3:C[5,6]-3:C[5]-4:	C[5,5]-3:C[5,5]-4:H-1:H-1:	C[5,5]-3:N[5,6]-3:C[6]-3:	C[5,5](N[5,5]C[5,5]Si[5])(C[5,6]N[5,6]C[6])(C[5]C[5,5]HH)	C[5](C[5,5]C[5,6]N[5,5])(C[5,5]C[5,5]C[5]H)(H)2	C[5,6](C[5,5]N[5,5]C[5])(N[5,6]Si[5]C[6])(C[6]C[6]H)	C[5,5](N[5,5]C[5,5]Si[5])(C[5,6]N[5,6]C[6])(C[5]C[5,5]HH){2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6]N[5,5])(C[5,5]C[5,5]C[5]H)(H)2{1|Si<4>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5,6](C[5,5]N[5,5]C[5])(N[5,6]Si[5]C[6])(C[6]C[6]H){2|C<4>,3|C<3>,4|H<1>}	135.0417	1.342	3	135.0417	1.801	3	135.0417	1.801	3	134.6293	1.881	4	134.6293	1.881	4	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	3:3:4:	3:2:1:1:	3:3:3:	C[5]-3:C[5,5]-3:C[5]-4:	C[5,5]-3:O[5]-2:H-1:H-1:	C[5,5]-3:C[5]-3:C[6a]-3:	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(C[5]O[5]HH)	C[5](C[5,5]C[5,5]C[5])(O[5]C[5])(H)2	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(C[5]O[5]HH){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5])(O[5]C[5])(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<2>,5|C<3>,6|H<1>}	139.6520	0.000	1	139.6520	0.000	1	139.6520	0.000	1	139.6520	0.000	1	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	3:3:4:	3:2:4:4:	3:3:3:	C[5,5]-3:C[5]-3:C[5]-4:	C[5,5]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a])(C[5]O[5]CC)	C[5](C[5,5]C[5,5]C[5])(O[5]C[5])(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a])(C[5]O[5]CC){1|C<4>,4|C<3>}	C[5](C[5,5]C[5,5]C[5])(O[5]C[5])(CH3)2{1|C<4>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2){1|I<1>,1|O<2>,2|C<4>,2|H<1>,5|C<3>}	140.2790	0.000	1	140.5265	0.123	2	140.5265	0.123	2	140.5265	0.123	2	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	3:3:4:	3:2:4:4:	3:3:3:	C[5,5]-3:C[5]-3:C[5]-4:	C[5,5]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a])(C[5]O[5]CC)	C[5](C[5,5]C[5,5]C[5])(O[5]C[5])(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a])(C[5]O[5]CC){5|C<3>}	C[5](C[5,5]C[5,5]C[5])(O[5]C[5])(CH3)2{4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2){1|O<2>,2|C<4>,3|H<1>,5|C<3>}	140.7740	0.000	1	140.5265	0.123	2	140.5265	0.123	2	140.5265	0.123	2	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5,5]-3:C[5]-3:C[5]-4:	C[5,5]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a])(C[5]N[5]HH)	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]S)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a])(C[5]N[5]HH){1|S<4>,5|C<3>}	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]S)(H)2{4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2){1|N<3>,5|C<3>,5|H<1>}	138.8640	0.000	1	138.8640	0.000	1	138.8640	0.000	1	138.8640	0.000	1	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,5]-3:C[5]-3:C[5]-4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-3:H-1:	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]H)(C[5]C[5]HH)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(H)	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]H)(C[5]C[5]HH){2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(H){1|C<4>,3|C<3>,3|H<1>}	140.5520	0.569	2	140.5520	0.323	2	140.7627	0.295	3	140.7627	0.295	3	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,5]-3:C[5]-3:C[5]-4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-3:H-1:	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]H)(C[5]C[5]HH)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(H)	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]H)(C[5]C[5]HH){2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(H)2{2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(H){1|C<4>,3|C<3>,3|H<1>}	141.1840	0.000	1	141.1840	0.000	1	140.7627	0.295	3	140.7627	0.295	3	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	3:3:4:	3:4:1:1:	3:3:2:	C[5]-3:C[5,5]-3:C[5]-4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5a]-3:Se[5]-2:	C[5,5](C[5]C[5a]Se[5])(C[5,5]C[5]2)(C[5]C[5]HH)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(H)2	C[5](C[5,5]C[5,5]C[5])(C[5a]C[5a]S[5a])(Se[5]C[5])	C[5,5](C[5]C[5a]Se[5])(C[5,5]C[5]2)(C[5]C[5]HH){1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(H)2{1|Se<2>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5a]C[5a]S[5a])(Se[5]C[5]){2|C<4>,3|C<3>,3|H<1>}	134.2130	0.388	4	134.2130	0.150	4	134.2130	0.150	4	134.2353	0.607	7	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	3:3:4:	3:4:1:1:	3:3:2:	C[5]-3:C[5,5]-3:C[5]-4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[6a]-3:Se[5]-2:	C[5,5](C[5]C[6a]Se[5])(C[5,5]C[5]2)(C[5]C[5]HH)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(H)2	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(Se[5]C[5])	C[5,5](C[5]C[6a]Se[5])(C[5,5]C[5]2)(C[5]C[5]HH){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(H)2{1|Se<2>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(Se[5]C[5]){2|C<4>,3|C<3>,4|H<1>}	133.5985	0.721	2	133.5985	0.519	2	133.5985	0.519	2	134.2353	0.607	7	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	3:3:4:	3:4:1:1:	3:3:2:	C[5]-3:C[5,5]-3:C[5]-4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5a]-3:C[5,5]-3:Si[5]-2:	C[5,5](C[5]C[5a]Si[5])(C[5,5]C[5]2)(C[5]C[5]HH)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(H)2	C[5](C[5a]C[5,5a]S[5a])(C[5,5]C[5,5]C[5])(Si[5]C[5])	C[5,5](C[5]C[5a]Si[5])(C[5,5]C[5]2)(C[5]C[5]HH){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(H)2{1|Si<2>,2|C<3>,2|H<1>}	C[5](C[5a]C[5,5a]S[5a])(C[5,5]C[5,5]C[5])(Si[5]C[5]){2|C<3>,3|C<4>,3|H<1>}	135.5980	0.000	1	135.5980	0.000	1	135.5980	0.000	1	134.2353	0.607	7	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5,5]-3:C[5]-4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(C[5]C[5]HH)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(C[5]C[5]HH){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,4|H<1>,5|C<3>}	138.0410	0.057	2	138.0410	0.003	2	138.0410	0.003	2	138.0410	0.003	2	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5,5]-3:C[5]-4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5a]-3:P[5]-4:	C[5,5](C[5]C[5a]P[5])(C[5,5]C[5]2)(C[5]C[5]HH)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5,5]C[5])(C[5a]C[5a]N[5a])(P[5]C[6a]C[5]O)	C[5,5](C[5]C[5a]P[5])(C[5,5]C[5]2)(C[5]C[5]HH){1|N<2>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|P<4>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5a]C[5a]N[5a])(P[5]C[6a]C[5]O){1|N<2>,1|N<3>,2|C<4>,3|C<3>,3|H<1>}	135.1120	0.624	2	135.1120	0.389	2	135.1120	0.389	2	135.1120	0.389	2	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	3:3:4:	3:4:1:1:	3:4:3:	C[5]-3:C[5,5]-3:C[5]-4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:P[5]-4:C[5]-3:	C[5,5](C[5]C[5]P[5])(C[5,5]C[5]2)(C[5]C[5]HH)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Pd)(C[5]C[5]N[5])	C[5,5](C[5]C[5]P[5])(C[5,5]C[5]2)(C[5]C[5]HH){1|Pd<4>,1|N<3>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|P<4>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Pd)(C[5]C[5]N[5]){1|N<2>,1|N<3>,2|C<4>,3|C<3>,3|H<1>}	136.0310	0.000	1	136.0310	0.000	1	136.0310	0.000	1	134.5757	1.068	4	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	3:3:4:	3:4:1:1:	3:4:3:	C[5]-3:C[5,5]-3:C[5]-4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:P[5]-4:C[6a]-3:	C[5,5](C[5]C[6a]P[5])(C[5,5]C[5]2)(C[5]C[5]HH)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]N)(C[6a]C[6a]2)	C[5,5](C[5]C[6a]P[5])(C[5,5]C[5]2)(C[5]C[5]HH){1|N<2>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|P<4>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]N)(C[6a]C[6a]2){2|C<4>,4|H<1>,5|C<3>}	133.8610	0.252	2	133.8610	0.063	2	134.0907	0.190	3	134.5757	1.068	4	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	3:3:4:	3:4:1:1:	3:4:3:	C[5]-3:C[5,5]-3:C[5]-4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:P[5]-4:C[6a]-3:	C[5,5](C[5]C[6a]P[5])(C[5,5]C[5]2)(C[5]C[5]HH)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Pd)(C[6a]C[6a]2)	C[5,5](C[5]C[6a]P[5])(C[5,5]C[5]2)(C[5]C[5]HH){1|Pd<4>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|P<4>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Pd)(C[6a]C[6a]2){2|C<4>,4|H<1>,5|C<3>}	134.5500	0.000	1	134.5500	0.000	1	134.0907	0.190	3	134.5757	1.068	4	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5,5]-3:C[5]-3:C[5]-4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[3,5,5]-4:C[5,5]-3:O-1:	C[5,5](C[5,5]C[3,5,5]C[5])(C[5]C[3,5,5]O)(C[5]C[5]HH)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[3,5,5]C[3,5,5]C[3]C[5])(C[5,5]C[5,5]C[5])(O)	C[5,5](C[5,5]C[3,5,5]C[5])(C[5]C[3,5,5]O)(C[5]C[5]HH){3|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,2|H<1>}	C[5](C[3,5,5]C[3,5,5]C[3]C[5])(C[5,5]C[5,5]C[5])(O){2|Br<1>,4|C<4>,4|H<1>}	135.6140	0.000	1	135.6140	0.000	1	135.6140	0.000	1	140.0290	38.984	2	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5,5]-3:C[5]-3:C[5]-4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-3:H-1:	C[5,5](C[5,5]N[5]2)(C[5]C[5,5]H)(C[5]C[5]HH)	C[5](C[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	C[5](C[5,5]C[5,6]N[5]O[5])(C[5,5]C[5,5]C[5])(H)	C[5,5](C[5,5]N[5]2)(C[5]C[5,5]H)(C[5]C[5]HH){1|C<4>,1|O<2>,1|S<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|N<2>,1|S<4>}	C[5](C[5,5]C[5,6]N[5]O[5])(C[5,5]C[5,5]C[5])(H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	144.4440	0.000	1	144.4440	0.000	1	144.4440	0.000	1	140.0290	38.984	2	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	3:3:4:	3:4:1:1:	4:3:3:	C[5,5]-3:C[5]-3:C[5]-4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[3,5,5]-4:C[5,5]-3:C-3:	C[5,5](C[5,5]C[3,5,5]C[5])(C[5]C[3,5,5]C)(C[5]C[5]HH)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[3,5,5]C[3,5,5]C[3]C[5])(C[5,5]C[5,5]C[5])(CHH)	C[5,5](C[5,5]C[3,5,5]C[5])(C[5]C[3,5,5]C)(C[5]C[5]HH){3|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5](C[3,5,5]C[3,5,5]C[3]C[5])(C[5,5]C[5,5]C[5])(CHH){2|Br<1>,4|C<4>,4|H<1>}	134.3700	0.000	1	134.3700	0.000	1	134.3700	0.000	1	134.3700	0.000	1	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	3:4:3:	3:3:1:1:	3:2:1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-3:H-1:H-1:	C[5,5]-3:O[5]-2:O-1:	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]O)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(H)2	C[5](C[5,5]C[5,5]C[5])(O[5]C[5])(O)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]O){2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5,5]C[5,5]C[5])(O[5]C[5])(O){2|C<3>,4|H<1>}	139.5410	0.000	1	139.5410	0.000	1	139.5410	0.000	1	139.5410	0.000	1	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	3:4:3:	3:3:1:1:	3:4:1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-3:H-1:H-1:	C[5,5]-3:C[5]-4:H-1:	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]O)(H)2	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(H)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]O)(H)2{2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(H){2|C<3>,4|H<1>}	139.9760	0.000	2	139.9760	0.000	2	139.9760	0.000	2	139.9760	0.000	2	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	3:4:3:	3:3:3:3:	3:3:1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:C[5]-3:H-1:	C[5,5](C[5,5]C[5,6a]Se[5])(C[5]C[5,6a]C[6a]2)(C[5]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)2	C[5](C[5,5]C[5,5]C[5])(C[5]Se[5]Br)(H)	C[5,5](C[5,5]C[5,6a]Se[5])(C[5]C[5,6a]C[6a]2)(C[5]C[5]H){1|Br<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)2{1|Se<2>,6|H<1>,7|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]Se[5]Br)(H){4|C<3>}	131.9610	0.000	1	131.9610	0.000	1	131.9610	0.000	1	131.9610	0.000	1	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	3:4:3:	3:3:3:3:	3:3:3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5,6]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[5,6])(C[5]C[5,6]C[6a]2)(C[5]C[5,6a]C[6a])	C[5](C[5,5]C[5,5]C[5])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)	C[5,5](C[5,5]C[5,6a]C[5,6])(C[5]C[5,6]C[6a]2)(C[5]C[5,6a]C[6a]){10|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)2{5|H<1>,9|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2){3|H<1>,8|C<3>}	140.7560	0.000	1	140.7560	0.000	1	140.7560	0.000	1	140.7560	0.000	1	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	3:4:3:	3:3:4:1:	3:3:1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-3:N-4:H-1:	C[5,5]-3:N[5]-3:H-1:	C[5,5](C[5,5]C[5,6a]N[5])(C[5]C[5,6a]HN)(C[5]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(NH3)(H)	C[5](C[5,5]C[5,5]C[5])(N[5]N[5]H)(H)	C[5,5](C[5,5]C[5,6a]N[5])(C[5]C[5,6a]HN)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(NH3)(H){2|C<3>,2|H<1>,2|N<3>}	C[5](C[5,5]C[5,5]C[5])(N[5]N[5]H)(H){1|C<4>,1|H<1>,1|N<4>,2|C<3>}	143.5530	0.000	1	143.5530	0.000	1	143.5530	0.000	1	143.5530	0.000	1	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	3:4:3:	3:3:4:1:	3:4:3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-3:B-4:H-1:	C[5,5]-3:C[5]-4:N-3:	C[5,5](C[5,5]C[5]2)(C[5]C[5]BH)(C[5]C[5]N)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]H)(BC[6a]2H)(H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(NCC)	C[5,5](C[5,5]C[5]2)(C[5]C[5]BH)(C[5]C[5]N){2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]H)(BC[6a]2H)(H){1|H<1>,1|N<3>,2|C<4>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(NCC){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	141.5340	0.000	1	141.5340	0.000	1	141.5340	0.000	1	141.5340	0.000	1	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	3:4:3:	3:4:1:1:	3:2:1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:O[5]-2:O-1:	C[5,5](C[5,5]C[5,6]N[5])(C[5]C[5]HH)(C[5]O[5]O)	C[5](C[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	C[5](C[5,5]C[5,5]C[5])(O[5]C[5,6])(O)	C[5,5](C[5,5]C[5,6]N[5])(C[5]C[5]HH)(C[5]O[5]O){1|S<4>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,1|S<4>}	C[5](C[5,5]C[5,5]C[5])(O[5]C[5,6])(O){1|N<3>,2|H<1>,3|C<4>}	137.8883	0.335	3	137.8883	0.112	3	137.8883	0.112	3	137.2117	1.906	4	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	3:4:3:	3:4:1:1:	3:2:1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:Si[5]-2:H-1:	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]Si[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(H)2	C[5](C[5,5]C[5,5]C[5])(Si[5]C[5])(H)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]Si[5]H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(H)2{1|Si<2>,1|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5])(Si[5]C[5])(H){1|C<3>,2|C<4>,2|H<1>}	135.1820	0.000	1	135.1820	0.000	1	135.1820	0.000	1	137.2117	1.906	4	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	3:4:3:	3:4:1:1:	3:3:1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-3:H-1:	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(H)2	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]O)(H)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]O)(H){1|C<3>,1|C<4>,4|H<1>}	138.7610	0.000	2	138.7610	0.000	2	138.7610	0.000	2	141.0290	7.983	7	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	3:4:3:	3:4:1:1:	3:3:1:	N[3x5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-3:H-1:	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5,5]N[3x5]C[5])(C[5]C[5,5]HH)(H)2	C[5](C[5,5]N[3x5]C[5])(C[5]C[5,5]O)(H)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)(C[5]C[5]H){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5,5]N[3x5]C[5])(C[5]C[5,5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,5]N[3x5]C[5])(C[5]C[5,5]O)(H){1|C<3>,2|C<4>,3|H<1>}	137.1110	0.000	1	137.1110	0.000	1	137.1110	0.000	1	141.0290	7.983	7	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	3:4:3:	3:4:1:1:	3:3:1:	N[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:N[5]-3:H-1:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]H)	C[5](C[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5,5]N[5,5]C[5])(N[5]C[5]C)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]H){1|Ir<6>,1|C<3>,1|C<4>,3|H<1>}	C[5](C[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,5]N[5,5]C[5])(N[5]C[5]C)(H){1|Ir<6>,2|C<4>,2|H<1>}	143.3855	2.022	2	143.1425	1.465	4	143.1425	1.465	4	141.0290	7.983	7	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	3:4:3:	3:4:1:1:	3:3:1:	N[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:N[5]-3:H-1:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]H)	C[5](C[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5,5]N[5,5]C[5])(N[5]C[5]C)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]H){1|Ni<4>,1|C<3>,1|C<4>,3|H<1>}	C[5](C[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,5]N[5,5]C[5])(N[5]C[5]C)(H){1|Ni<4>,2|C<4>,2|H<1>}	142.8995	0.268	2	143.1425	1.465	4	143.1425	1.465	4	141.0290	7.983	7	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	3:4:3:	3:4:1:1:	3:3:3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:P[5]-3:C-3:	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5])(CC[5]H)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){2|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|P<3>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5])(CC[5]H){2|C<4>,2|H<1>,3|C<3>}	132.8805	0.899	2	132.8805	0.808	2	134.2337	2.817	4	134.2337	2.817	4	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	3:4:3:	3:4:1:1:	3:3:3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:P[5]-3:C-3:	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5])(COO)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){2|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|P<3>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5])(COO){2|C<4>,2|H<1>,3|C<3>}	135.5870	0.564	2	135.5870	0.318	2	134.2337	2.817	4	134.2337	2.817	4	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	3:4:3:	3:4:1:1:	3:3:4:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:N[5]-3:C-4:	C[5,5](C[5,5]C[5]N[5])(C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5,5]C[5])(N[5]N[5]Co)(CH3)	C[5,5](C[5,5]C[5]N[5])(C[5]C[5]HH)(C[5]N[5]C){1|Co<6>,1|B<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	C[5](C[5,5]C[5,5]C[5])(N[5]N[5]Co)(CH3){1|B<4>,2|C<4>,2|H<1>}	143.1767	0.598	3	143.1767	0.358	3	143.1767	0.358	3	139.8558	20.857	5	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	3:4:3:	3:4:1:1:	3:3:4:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:P[5]-3:C-4:	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5])(CC[5a]CC)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|P<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5])(CC[5a]CC){2|C<3>,2|H<1>,3|C<4>}	134.8745	0.032	2	134.8745	0.001	2	134.8745	0.001	2	139.8558	20.857	5	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	3:4:3:	3:4:1:1:	3:4:3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:P[5]-4:C-3:	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Pd)(CC[5a]H)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|Pd<4>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|P<4>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Pd)(CC[5a]H){2|C<4>,2|H<1>,3|C<3>}	130.8720	0.651	2	130.8720	0.423	2	130.8720	0.423	2	130.8720	0.423	2	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	3:4:3:	3:4:1:1:	3:4:4:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:P[5]-4:C-4:	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Pd)(CC[5a]CC)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|Pd<4>,1|C<3>,1|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Pd)(CC[5a]CC){2|C<3>,2|H<1>,3|C<4>}	134.8004	1.122	8	134.8004	1.258	8	134.7223	1.125	24	134.7223	1.125	24	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	3:4:3:	3:4:1:1:	3:4:4:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:P[5]-4:C-4:	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Pt)(CC[5a]CC)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|Pt<4>,1|C<3>,1|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Pt)(CC[5a]CC){2|C<3>,2|H<1>,3|C<4>}	134.2141	0.807	8	134.2060	0.509	10	134.7223	1.125	24	134.7223	1.125	24	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	3:4:3:	3:4:1:1:	3:4:4:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:P[5]-4:C-4:	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Pt)(CC[5a]CC)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|Pt<5>,1|C<3>,1|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Pt)(CC[5a]CC){2|C<3>,2|H<1>,3|C<4>}	134.1735	0.162	2	134.2060	0.509	10	134.7223	1.125	24	134.7223	1.125	24	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	3:4:3:	3:4:1:1:	3:4:4:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:P[5]-4:C-4:	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Rh)(CC[5]CC)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|Rh<5>,1|C<3>,1|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Rh)(CC[5]CC){2|C<3>,2|H<1>,3|C<4>}	134.8590	0.000	1	134.8590	0.000	1	134.7223	1.125	24	134.7223	1.125	24	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	3:4:3:	3:4:1:1:	3:4:4:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:P[5]-4:C-4:	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Rh)(CC[5a]CC)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|Rh<5>,1|C<3>,1|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Rh)(CC[5a]CC){2|C<3>,2|H<1>,3|C<4>}	136.4110	0.000	1	136.4750	0.047	3	134.7223	1.125	24	134.7223	1.125	24	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	3:4:3:	3:4:1:1:	3:4:4:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:P[5]-4:C-4:	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Rh)(CC[5a]CC)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|Rh<6>,1|C<3>,1|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Rh)(CC[5a]CC){2|C<3>,2|H<1>,3|C<4>}	136.5070	0.296	2	136.4750	0.047	3	134.7223	1.125	24	134.7223	1.125	24	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	3:4:3:	3:4:1:1:	3:4:4:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:P[5]-4:C-4:	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]S)(CC[5a]CC)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|C<3>,1|C<4>,1|S<1>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]S)(CC[5a]CC){2|C<3>,2|H<1>,3|C<4>}	134.2945	0.285	2	134.2945	0.081	2	134.7223	1.125	24	134.7223	1.125	24	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	3:4:3:	3:4:3:3:	3:3:1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:C-3:C-3:	C[5,5]-3:C[5]-3:H-1:	C[5,5](C[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(COO)2	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(H)	C[5,5](C[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(COO)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(H){1|C<4>,1|O<2>,5|C<3>}	141.2520	0.000	1	141.2520	0.000	1	141.2520	0.000	1	141.2520	0.000	1	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	3:4:3:	3:4:4:1:	3:3:1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:C-4:H-1:	C[5,5]-3:C[5]-3:H-1:	C[5,5](C[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(CH3)(H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]H){1|N<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(CH3)(H){1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]H)(H){1|C<3>,2|C<4>,2|H<1>}	139.8930	0.000	1	139.8930	0.000	1	139.8930	0.000	1	139.8930	0.000	1	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	3:4:3:	3:4:4:4:	3:3:1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:C-4:C-4:	C[5,5]-3:C[5]-3:H-1:	C[5,5](C[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(CH3)2	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]B)(H)	C[5,5](C[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]H){1|B<3>,1|N<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(CH3)2{1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]B)(H){1|C<3>,1|H<1>,3|C<4>}	139.8690	0.000	1	139.8690	0.000	1	137.7540	8.946	2	137.7540	8.946	2	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	3:4:3:	3:4:4:4:	3:3:1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:C-4:C-4:	C[5,5]-3:C[5]-3:H-1:	C[5,5](C[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(CH3)2	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]H){1|B<4>,1|N<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(CH3)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]H)(H){1|B<4>,1|C<3>,1|H<1>,3|C<4>}	135.6390	0.000	1	135.6390	0.000	1	137.7540	8.946	2	137.7540	8.946	2	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	3:4:4:	3:2:1:1:	3:4:3:	C[5]-3:C[5,5]-4:C[5]-4:	C[5,5]-3:O[5]-2:H-1:H-1:	C[5,5]-3:C[5]-4:C[6a]-3:	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]O[5]HH)	C[5](C[5,5]C[5,5]C[5])(O[5]C[5])(H)2	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]2)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]O[5]HH){4|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(O[5]C[5])(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]2){1|O<2>,3|C<4>,4|C<3>,5|H<1>}	136.5260	0.000	1	136.5260	0.000	1	136.5260	0.000	1	136.5260	0.000	1	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	3:4:4:	3:2:4:1:	3:3:3:	C[5]-3:C[5,5]-4:C[5]-4:	C[5,5]-3:O[5]-2:C-4:H-1:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]O[5]CH)	C[5](C[5,5]C[5,5]C[5])(O[5]C[5])(CH3)(H)	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]O[5]CH){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(O[5]C[5])(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]O){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	136.1330	0.000	1	136.1330	0.000	1	136.1330	0.000	1	136.1330	0.000	1	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	3:4:4:	3:3:1:1:	3:3:4:	C[5]-3:C[5,5]-4:C[5]-4:	C[5,5]-3:N[5]-3:H-1:H-1:	C[5,5]-3:C[6a]-3:C[5]-4:	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]N[5]HH)	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]S)(H)2	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]N[5]HH){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]S)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	135.8320	0.310	2	135.8320	0.096	2	135.8320	0.096	2	135.8320	0.096	2	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	4:3:3:	3:3:3:3:	3:4:1:	C[5]-4:C[5,5]-3:C[5]-3:	C[5,5]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5,5]-3:C[5]-4:H-1:	C[5,5](C[5]C[6a]2C[5])(C[5,5]C[5]2)(C[5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)2(C[5]C[5]O)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	C[5,5](C[5]C[6a]2C[5])(C[5,5]C[5]2)(C[5]C[5]H){1|O<1>,4|H<1>,5|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)2(C[5]C[5]O){1|O<2>,2|C<4>,4|H<1>,5|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){2|H<1>,4|C<3>}	138.6560	0.112	2	138.6560	0.012	2	138.6560	0.012	2	138.6560	0.012	2	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	4:3:4:	3:3:1:1:	3:3:3:	C[5,5]-4:C[5]-3:C[5]-4:	C[5,5]-3:N[5]-3:H-1:H-1:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]C[5])(C[5]N[5]HH)	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]C)(H)2	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]O)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]C[5])(C[5]N[5]HH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]C)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	139.9870	0.000	1	139.9870	0.000	1	139.9870	0.000	1	139.9870	0.000	1	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	4:3:4:	3:3:1:1:	3:4:3:	C[5,5]-4:C[5]-3:C[5]-4:	C[5,5]-3:N[5]-3:H-1:H-1:	C[5,5]-3:C[5]-4:C[6a]-3:	C[5,5](C[5,5]B[5]C[5]H)(C[5]C[6a]C[5])(C[5]N[5]HH)	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]C)(H)2	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]B[5]H)(C[6a]C[6a]2)	C[5,5](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>}	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]C)(H)2{1|B<4>,1|C<3>,1|C<4>,2|H<1>}	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>}	133.3615	0.517	2	133.3615	0.267	2	133.3615	0.267	2	133.3615	0.267	2	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	4:3:4:	3:4:1:1:	3:3:3:	C[5,5]-4:C[5]-3:C[5]-4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]C[6a])(C[5]C[5]HH)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]C[6a])(C[5]C[5]HH){1|H<1>,2|C<4>,5|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CH)(H)2{3|C<3>,3|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2){3|C<4>,4|C<3>,5|H<1>}	133.4510	0.000	1	133.4510	0.000	1	133.4510	0.000	1	133.4510	0.000	1	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	4:3:4:	3:4:1:1:	3:4:1:	C[5,5]-4:C[5]-3:C[5]-4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5,6]-4:H-1:	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]H)(C[5]C[5]HH)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5,5]C[5])(C[5,6]C[5]O[6]2)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]H)(C[5]C[5]HH){1|C<3>,2|O<2>,5|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5,6]C[5]O[6]2)(H){1|C<3>,4|C<4>,4|H<1>}	136.6780	0.000	1	136.6780	0.000	1	136.6780	0.000	1	136.6780	0.000	1	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	4:3:4:	3:4:1:1:	3:4:3:	C[3x5]-4:C[5]-3:C[5]-4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[6a]-3:	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[6a]C[5])(C[5]C[5]HH)	C[5](C[5,5]C[3x5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5,5]C[3x5]C[5])(C[5]C[5,5]HO)(C[6a]C[6a]2)	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[6a]C[5])(C[5]C[5]HH){1|O<2>,2|C<3>,2|C<4>,8|H<1>}	C[5](C[5,5]C[3x5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[3x5]C[5])(C[5]C[5,5]HO)(C[6a]C[6a]2){2|C<3>,4|C<4>,5|H<1>}	135.1020	0.000	1	135.1020	0.000	1	135.1020	0.000	1	135.1020	0.000	1	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	4:3:4:	3:4:1:1:	4:3:1:	C[5,5]-4:C[5]-3:C[5]-4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-3:H-1:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]H)(C[5]C[5]HH)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]C[5])(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]H)(C[5]C[5]HH){1|O<2>,2|C<3>,5|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	135.8030	0.000	1	135.8030	0.000	1	135.8030	0.000	1	135.8030	0.000	1	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	4:3:4:	3:4:4:1:	3:3:3:	C[5,5]-4:C[5]-3:C[5]-4:	C[5,5]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CH)(CCHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a])(C[5]C[5]CH){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CH)(CCHH)(H){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2){3|C<4>,4|C<3>,5|H<1>}	135.5493	1.722	4	135.5493	2.967	4	135.5493	2.967	4	135.5493	2.967	4	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	4:4:3:	3:2:4:1:	3:3:1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5,5]-3:N[5]-2:C-4:Cl-1:	C[5,5]-3:C[5]-3:Cl-1:	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)	C[5](C[5,5]C[5,5,6]C[5])(C[5]N[5]C)(Cl)	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>}	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>}	C[5](C[5,5]C[5,5,6]C[5])(C[5]N[5]C)(Cl){1|Cl<1>,1|C<3>,1|N<2>,2|C<4>}	141.4150	0.000	1	141.4150	0.000	1	141.4150	0.000	1	141.4150	0.000	1	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	4:4:3:	3:3:1:1:	3:2:1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-3:N[5]-3:H-1:H-1:	C[5,5]-3:S[5]-2:H-1:	C[5,5](C[5,5]C[5]2C)(C[5]N[5]HH)(C[5]S[5]H)	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]S)(H)2	C[5](C[5,5]C[5,5]C[5])(S[5]C[5])(H)	C[5,5](C[5,5]C[5]2C)(C[5]N[5]HH)(C[5]S[5]H){1|C<3>,1|S<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]S)(H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5])(S[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	134.2755	0.211	2	134.2755	0.045	2	134.2755	0.045	2	134.2755	0.045	2	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	4:4:3:	3:3:1:1:	3:3:1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5,5]-3:N[5]-3:H-1:H-1:	C[5,5]-3:C[5]-3:H-1:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]N[5]HH)(C[5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5])(N[5]C[5,6]S)(H)2	C[5](C[5,5]C[5,5,6]C[5])(C[5]C[5]O)(H)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]N[5]HH)(C[5]C[5]H){1|O<1>,1|O<2>,1|S<3>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,5,6]C[5])(N[5]C[5,6]S)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5,6]C[5])(C[5]C[5]O)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	137.6040	0.000	1	137.6040	0.000	1	137.6040	0.000	1	137.4410	0.053	2	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	4:4:3:	3:3:1:1:	3:3:1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-3:N[5]-3:H-1:H-1:	C[5,5]-3:C[5]-3:H-1:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(C[5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]C)(H)2	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]O)(H)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(C[5]C[5]H){1|C<4>,1|O<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]O)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	137.2780	0.000	1	137.2780	0.000	1	137.2780	0.000	1	137.4410	0.053	2	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	4:4:3:	3:3:1:1:	3:3:4:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5,5]-3:N[5]-3:H-1:H-1:	C[5,5]-3:C[5]-3:C-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]N[5]HH)(C[5]C[5]C)	C[5](C[5,5]C[5,5,6]C[5])(N[5]C[5]S)(H)2	C[5](C[5,5]C[5,5,6]C[5])(C[5]C[5,6]O)(CH3)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]N[5]HH)(C[5]C[5]C){1|O<1>,1|S<4>,2|C<4>,5|H<1>}	C[5](C[5,5]C[5,5,6]C[5])(N[5]C[5]S)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5,6]C[5])(C[5]C[5,6]O)(CH3){1|N<3>,3|C<4>,3|H<1>}	134.2730	0.000	1	134.2730	0.000	1	134.2730	0.000	1	134.6535	0.290	2	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	4:4:3:	3:3:1:1:	3:3:4:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-3:N[5]-3:H-1:H-1:	C[5,5]-3:C[5]-3:C-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(C[5]C[5]C)	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]S)(H)2	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]O)(CH3)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(C[5]C[5]C){1|C<3>,1|O<1>,1|S<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]O)(CH3){1|C<4>,1|N<3>,5|H<1>}	135.0340	0.000	1	135.0340	0.000	1	135.0340	0.000	1	134.6535	0.290	2	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	4:4:3:	3:3:1:1:	3:4:1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-3:N[5]-3:H-1:H-1:	C[5,5]-3:C[5]-4:H-1:	C[5,5](C[5,5]C[5]2C)(C[5]N[5]HH)(C[5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]S)(H)2	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5]2C)(C[5]N[5]HH)(C[5]C[5]H){1|S<4>,6|H<1>}	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	136.3210	0.321	2	136.3210	0.103	2	136.3210	0.103	2	136.3210	0.103	2	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	4:4:3:	3:3:1:1:	3:4:3:	C[5,5]-4:C[5]-4:C[5]-3:	N[5,5a]-3:C[5,5]-3:H-1:H-1:	C[5,5]-3:C[5]-4:C-3:	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	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(COO)	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>}	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>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(COO){1|C<2>,1|N<3>,2|C<3>,3|H<1>}	135.7520	0.130	3	135.7520	0.017	3	135.7520	0.017	3	135.7520	0.017	3	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	4:4:3:	3:3:3:3:	4:3:1:	C[5,5]-4:C[5]-4:C[5]-3:	N[5,5a]-3:C[5,5]-3:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5]-3:H-1:	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	C[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,5]C[5,5]C[5])(H)	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>}	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>}	C[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,5]C[5,5]C[5])(H){2|H<1>,2|N<3>,3|C<3>,3|C<4>}	132.4110	0.000	1	132.4110	0.000	1	132.4110	0.000	1	132.4110	0.000	1	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	4:4:3:	3:4:1:1:	3:3:1:	C[3x5]-4:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-3:H-1:	C[5,5](C[3x5]C[5,5,6]C[5]2)(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5,5]C[3x5]C[5])(C[5]C[5,5,6]HH)(H)2	C[5](C[5,5]C[3x5]C[5])(C[5]C[5]O)(H)	C[5,5](C[3x5]C[5,5,6]C[5]2)(C[5]C[5]HH)(C[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[5](C[5,5]C[3x5]C[5])(C[5]C[5,5,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5](C[5,5]C[3x5]C[5])(C[5]C[5]O)(H){3|C<4>,4|H<1>}	135.8050	0.759	2	135.8050	0.577	2	135.8050	0.577	2	135.9810	0.312	4	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	4:4:3:	3:4:1:1:	3:3:1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-3:H-1:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(H)2	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]O)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]O)(H){3|C<4>,4|H<1>}	135.8140	0.000	1	135.8140	0.000	1	136.1570	0.235	2	135.9810	0.312	4	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	4:4:3:	3:4:1:1:	3:3:1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-3:H-1:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CH)(H)2	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]O)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]O)(H){2|C<4>,5|H<1>}	136.5000	0.000	1	136.5000	0.000	1	136.1570	0.235	2	135.9810	0.312	4	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	4:4:3:	3:4:1:1:	3:3:4:	C[3x5,6]-4:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-3:Si-4:	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)(C[5]C[5]Si)	C[5](C[5,5]C[3x5,6]C[5])(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[3x5,6]C[5])(C[5]C[5,6]O)(SiC3)	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)(C[5]C[5]Si){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,5]C[3x5,6]C[5])(C[5]C[5,5]HH)(H)2{1|Si<4>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5,5]C[3x5,6]C[5])(C[5]C[5,6]O)(SiC3){1|C<3>,2|H<1>,3|C<4>}	133.3130	0.000	1	131.5335	6.333	2	131.5335	6.333	2	132.4403	5.634	3	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	4:4:3:	3:4:1:1:	3:3:4:	C[3x5,6]-4:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-3:Si-4:	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)(C[5]C[5]Si)	C[5](C[5,5]C[3x5,6]C[5])(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[3x5,6]C[5])(C[5]C[5,6]O)(SiC3)	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)(C[5]C[5]Si){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,5]C[3x5,6]C[5])(C[5]C[5,5]HH)(H)2{1|Si<4>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,5]C[3x5,6]C[5])(C[5]C[5,6]O)(SiC3){2|H<1>,5|C<4>}	129.7540	0.000	1	131.5335	6.333	2	131.5335	6.333	2	132.4403	5.634	3	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	4:4:3:	3:4:1:1:	3:3:4:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-3:C-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]C[5]C)	C[5](C[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(H)2	C[5](C[5,5]C[5,5,6]C[5])(C[5]C[5]O)(CH3)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[5](C[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(H)2{2|C<3>,4|C<4>}	C[5](C[5,5]C[5,5,6]C[5])(C[5]C[5]O)(CH3){3|C<4>,4|H<1>}	134.2540	0.000	1	134.2540	0.000	1	134.2540	0.000	1	132.4403	5.634	3	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	4:4:3:	3:4:1:1:	3:4:1:	C[3x5,6]-4:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:H-1:	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5,5]C[3x5,6]C[5])(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[3x5,6]C[5])(C[5]C[5,6]HH)(H)	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)(C[5]C[5]H){2|C<3>,2|C<4>,7|H<1>}	C[5](C[5,5]C[3x5,6]C[5])(C[5]C[5,5]HH)(H)2{2|H<1>,4|C<4>}	C[5](C[5,5]C[3x5,6]C[5])(C[5]C[5,6]HH)(H){1|C<3>,3|C<4>,3|H<1>}	136.2160	0.242	2	136.2160	0.058	2	136.2160	0.058	2	136.8635	1.092	6	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	4:4:3:	3:4:1:1:	3:4:1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5,5]-3:C[5,6]-4:H-1:H-1:	C[5,5]-3:C[5]-4:H-1:	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5])(C[5,6]O[5,6]C[6]H)(H)2	C[5](C[5,5]C[5,5,6]C[5])(C[5]C[5]HH)(H)	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]C[5]H){1|O<1>,2|C<3>,5|H<1>}	C[5](C[5,5]C[5,5,6]C[5])(C[5,6]O[5,6]C[6]H)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5,6]C[5])(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	138.8390	0.000	1	138.8390	0.000	1	138.8390	0.000	1	136.8635	1.092	6	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	4:4:3:	3:4:1:1:	3:4:1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:H-1:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5,5]C[5])(C[5]N[5]CH)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]C[5]H){1|C<3>,1|S<4>,5|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]N[5]CH)(H){1|S<4>,2|C<4>,3|H<1>}	136.6367	0.502	3	136.6367	0.252	3	136.6367	0.252	3	136.8635	1.092	6	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	4:4:3:	3:4:1:1:	3:4:4:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:P[5]-4:C-4:	C[5,5](C[5,5]C[5a]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Au)(CC[5a]CC)	C[5,5](C[5,5]C[5a]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|Au<2>,1|N<3>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Au)(CC[5a]CC){2|C<4>,2|H<1>,4|C<3>}	131.4540	0.000	1	131.4540	0.000	1	132.1355	0.596	6	132.1355	0.596	6	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	4:4:3:	3:4:1:1:	3:4:4:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:P[5]-4:C-4:	C[5,5](C[5,5]C[5a]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Pd)(CC[5a]CC)	C[5,5](C[5,5]C[5a]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|Pd<4>,1|N<3>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Pd)(CC[5a]CC){2|C<4>,2|H<1>,4|C<3>}	131.8443	0.307	3	131.8443	0.094	3	132.1355	0.596	6	132.1355	0.596	6	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	4:4:3:	3:4:1:1:	3:4:4:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:P[5]-4:C-4:	C[5,5](C[5,5]C[5a]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]S)(CC[5a]CC)	C[5,5](C[5,5]C[5a]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|N<3>,1|S<1>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]S)(CC[5a]CC){2|C<4>,2|H<1>,4|C<3>}	132.9130	0.931	2	132.9130	0.866	2	132.1355	0.596	6	132.1355	0.596	6	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	4:4:3:	3:4:4:4:	3:3:1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5,5]-3:C[5,6]-4:C-4:C-4:	C[5,5]-3:C[5]-3:H-1:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5])(C[5,6]C[5,6]2H)(CH3)2	C[5](C[5,5]C[5,5,6]C[5])(C[5]C[5]O)(H)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]H){1|O<1>,3|C<4>,6|H<1>}	C[5](C[5,5]C[5,5,6]C[5])(C[5,6]C[5,6]2H)(CH3)2{1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5,6]C[5])(C[5]C[5]O)(H){1|H<1>,6|C<4>}	135.1730	0.000	1	135.1730	0.000	1	135.1730	0.000	1	135.1730	0.000	1	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	4:4:3:	4:3:1:1:	3:3:4:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,5]-3:H-1:H-1:	C[5,5]-3:C[5]-3:C-4:	C[5,5](C[5,5]N[5]O[5]O)(C[5]C[5,5]HH)(C[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,5]C[5,5]C[5])(H)2	C[5](C[5,5]C[5,5]C[5])(C[5]N[5]O)(CC[6a]HH)	C[5,5](C[5,5]N[5]O[5]O)(C[5]C[5,5]HH)(C[5]C[5]C){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,5]C[5,5]C[5])(H)2{1|C<4>,1|O<1>,1|O<2>,2|N<3>,3|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]N[5]O)(CC[6a]HH){2|C<4>,2|H<1>,2|O<2>}	134.8470	0.000	1	134.8470	0.000	1	134.8470	0.000	1	134.8470	0.000	1	136.2792	9.680	133	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,6,6]	C[5,5,6]	C[5,6,6]	3:4:4:	4:3:2:1:	3:4:4:	C[5,6,6]-3:C[5,5,6]-4:C[5,6,6]-4:	C[5,5,6]-4:C[5,6,6]-3:O[5,5]-2:H-1:	C[5,6,6]-3:C[5,5,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6])(C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[5,6]H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6,6]C[5,6,6]2)(O[5,5]C[5,5,6])(H)	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6])(C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[5,6]H)	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6])(C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[5,6]H){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6,6]C[5,6,6]2)(O[5,5]C[5,5,6])(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6])(C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[5,6]H){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	133.2945	0.535	2	133.2945	0.287	2	133.2945	0.287	2	133.2945	0.287	2	133.2945	0.287	2	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,6,6]	C[5,5,6]	C[5,6]	4:4:3:	3:4:3:1:	3:3:3:	C[5,6,6]-4:C[5,5,6]-4:C[5,6]-3:	C[5,6,6]-3:Si[3x5]-4:C[5,6]-3:H-1:	C[5,6,6]-3:C[5,6]-3:C[5]-3:	C[5,6,6](C[5,6,6]C[5,5,6]Si[5,6]H)(C[5,5,6]Si[3x5]C[5,6]H)(C[5,6]C[5,6]C[5])	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6])(Si[3x5]C[5,5,6]C[5]2)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6])(C[5,6]C[5]O[6])(C[5]C[6a]C[5])	C[5,6,6](C[5,6,6]C[5,5,6]Si[5,6]H)(C[5,5,6]Si[3x5]C[5,6]H)(C[5,6]C[5,6]C[5]){1|O<2>,2|H<1>,4|C<3>,4|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6])(Si[3x5]C[5,5,6]C[5]2)(C[5,6]C[5,6]H)(H){5|Si<4>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6])(C[5,6]C[5]O[6])(C[5]C[6a]C[5]){2|Si<4>,1|C<4>,2|H<1>,5|C<3>}	125.0590	0.000	1	125.0590	0.000	1	125.0590	0.000	1	125.0590	0.000	1	125.0590	0.000	1	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5]	4:4:3:	4:3:4:1:	3:3:1:	C[5,6,6]-4:C[5,6,6]-4:C[5]-3:	C[5,5,6]-4:C[5,6,6]-3:C[5,6]-4:H-1:	C[5,6,6]-3:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,6]C[6]O[5])(C[5]C[5]H)	C[5,6,6](C[5,5,6]N[5,5,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[5,6]C[6]O[5]H)(H)	C[5](C[5,6,6]C[5,6,6]2)(C[5]O[5]O)(H)	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,6]C[6]O[5])(C[5]C[5]H){1|N<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[5,6,6](C[5,5,6]N[5,5,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[5,6]C[6]O[5]H)(H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6,6]2)(C[5]O[5]O)(H){1|H<1>,4|C<4>}	138.6295	0.465	2	138.6295	0.216	2	138.6295	0.216	2	138.6295	0.216	2	138.6295	0.216	2	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5]	4:3:3:	3:3:3:4:	3:3:3:	C[5,5,6]-4:C[5,6]-3:C[5]-3:	C[5,5,6]-3:C[5,6a]-3:C[5,6]-3:C[5,6]-4:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]C[6a])	C[5,5,6](C[5,5,6]C[5,5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]2)	C[5](C[5,6]C[5,5,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]C[6a]){10|C<3>,2|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]2){10|C<3>,5|H<1>}	C[5](C[5,6]C[5,5,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){3|Cl<1>,1|C<4>,7|C<3>}	130.5540	0.000	1	130.5540	0.000	1	130.5540	0.000	1	130.5540	0.000	1	130.5540	0.000	1	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,6]	C[5,6,6]	C[5]	4:3:3:	4:3:3:4:	3:3:1:	C[5,6,6]-4:C[5,6]-3:C[5]-3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5,6]-4:	C[5,6]-3:C[5,6a]-3:O-1:	C[5,6](C[5,6,6]C[5,6,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]O[6])(C[5]C[5,6a]O)	C[5,6,6](C[5,6,6]C[5,6,6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H)	C[5](C[5,6]C[5,6,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6](C[5,6,6]C[5,6,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]O[6])(C[5]C[5,6a]O){1|H<1>,2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H){1|C<4>,1|O<2>,2|H<1>,4|O<1>,8|C<3>}	C[5](C[5,6]C[5,6,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	130.8625	2.196	2	130.8625	4.821	2	130.8625	4.821	2	130.8625	4.821	2	130.1250	6.444	4	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,6]	C[5,6,6]	C[5]	4:4:3:	3:4:4:4:	3:4:1:	C[5,6,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-3:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5,6]C[5]O[6]H)(C[5]C[5]H)	C[5,6,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H)2(C[6]C[6]HH)	C[5](C[5,6]C[5,6,6]C[5,6])(C[5]C[5]HH)(H)	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5,6]C[5]O[6]H)(C[5]C[5]H){2|C<3>,3|C<4>,8|H<1>}	C[5,6,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H)2(C[6]C[6]HH){1|O<2>,2|O<1>,3|C<4>,8|H<1>}	C[5](C[5,6]C[5,6,6]C[5,6])(C[5]C[5]HH)(H){1|O<2>,3|C<4>,3|H<1>}	131.8710	0.000	1	131.8710	0.000	1	131.8710	0.000	1	131.8710	0.000	1	130.1250	6.444	4	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,6]	C[5,6,6]	C[5]	4:4:3:	4:4:3:1:	3:3:2:	C[5,6,6]-4:C[5,6]-4:C[5]-3:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-3:H-1:	C[5,6]-3:C[6a]-3:O[5]-2:	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[6]P[5]H)(C[5]C[6a]O[5])	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]P[5,5,6]C[6]H)(C[5,6]C[5,6]C[5])(H)	C[5](C[5,6]C[5,6,6]C[5,6])(C[6a]C[6a]2)(O[5]P[5])	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[6]P[5]H)(C[5]C[6a]O[5]){1|Mo<6>,1|C<4>,1|O<2>,1|P<4>,2|H<1>,5|C<3>}	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]P[5,5,6]C[6]H)(C[5,6]C[5,6]C[5])(H){1|Mo<6>,1|O<2>,1|P<4>,2|H<1>,6|C<3>}	C[5](C[5,6]C[5,6,6]C[5,6])(C[6a]C[6a]2)(O[5]P[5]){1|Mo<6>,3|C<3>,3|C<4>,4|H<1>}	126.9040	0.000	1	126.9040	0.000	1	126.9040	0.000	1	126.9040	0.000	1	130.1250	6.444	4	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	3:3:3:1:	3:3:4:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[5,6]-3:C[5]-3:H-1:	C[5,6]-3:C[6a]-3:C[5]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])(C[5]C[6a]C[5])	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5,6]C)(C[5]C[6a]C[5])(H)	C[5](C[5,6]C[5,6]2)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])(C[5]C[6a]C[5]){1|C<4>,3|H<1>,7|C<3>}	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5,6]C)(C[5]C[6a]C[5])(H){1|H<1>,2|C<4>,5|C<3>}	C[5](C[5,6]C[5,6]2)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,3|H<1>,5|C<3>}	131.6000	0.000	1	131.6000	0.000	1	131.6000	0.000	1	131.6000	0.000	1	128.0328	9.720	41	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	3:3:3:2:	3:2:1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6,6a]-3:C[5,6a]-3:C[5,6]-3:O-2:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]O[5]O)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6]C[5])(OO)	C[5](C[5,6]C[5,6]2)(O[5]C[5])(O)	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]O[5]O){1|N<2>,1|O<2>,5|C<3>}	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6]C[5])(OO){1|C<4>,1|O<1>,1|O<2>,6|C<3>}	C[5](C[5,6]C[5,6]2)(O[5]C[5])(O){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	125.0560	0.000	1	125.0560	0.000	1	124.2770	1.214	2	124.2770	1.214	2	128.0328	9.720	41	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	3:3:3:2:	3:2:1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6,6a]-3:C[5,6a]-3:C[5,6]-3:O-2:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]O[5]O)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6]C[5,6]C[5])(OO)	C[5](C[5,6]C[5,6]2)(O[5]C[5])(O)	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]O[5]O){1|N<2>,1|O<2>,5|C<3>}	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6]C[5,6]C[5])(OO){1|C<4>,1|O<1>,1|O<2>,6|C<3>}	C[5](C[5,6]C[5,6]2)(O[5]C[5])(O){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	123.4980	0.000	1	123.4980	0.000	1	124.2770	1.214	2	124.2770	1.214	2	128.0328	9.720	41	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	3:3:3:2:	3:2:2:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6,6a]-3:C[5,6a]-3:C[5,6]-3:O-2:	C[5,6]-3:O[5]-2:N-2:	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]O[5]N)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6]C[5])(OH)	C[5](C[5,6]C[5,6]2)(O[5]C[5])(NC[6a])	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]O[5]N){1|O<1>,1|O<2>,5|C<3>}	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6]C[5])(OH){1|C<4>,1|N<2>,1|O<2>,6|C<3>}	C[5](C[5,6]C[5,6]2)(O[5]C[5])(NC[6a]){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	122.4660	0.000	1	122.4660	0.000	1	123.6940	3.016	2	123.6940	3.016	2	128.0328	9.720	41	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	3:3:3:2:	3:2:2:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6,6a]-3:C[5,6a]-3:C[5,6]-3:O-2:	C[5,6]-3:O[5]-2:N-2:	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]O[5]N)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6]C[5,6]C[5])(OO)	C[5](C[5,6]C[5,6]2)(O[5]C[5])(NC[6a])	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]O[5]N){1|O<1>,1|O<2>,5|C<3>}	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6]C[5,6]C[5])(OO){1|C<4>,1|N<2>,1|O<2>,6|C<3>}	C[5](C[5,6]C[5,6]2)(O[5]C[5])(NC[6a]){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	124.9220	0.000	1	124.9220	0.000	1	123.6940	3.016	2	123.6940	3.016	2	128.0328	9.720	41	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	3:3:3:2:	3:3:2:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6,6a]-3:C[5,6a]-3:C[5,6]-3:O-2:	C[5,6]-3:C[5]-3:N-2:	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]C[5]N)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6]C[5])(OO)	C[5](C[5,6]C[5,6]2)(C[5]C[5]O)(NC[6a])	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]C[5]N){1|I<1>,1|O<1>,2|O<2>,5|C<3>}	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6]C[5])(OO){1|N<2>,2|C<4>,6|C<3>}	C[5](C[5,6]C[5,6]2)(C[5]C[5]O)(NC[6a]){1|C<4>,1|I<1>,2|C<3>,2|O<2>}	126.2640	0.000	1	126.2640	0.000	1	126.2640	0.000	1	128.3143	3.153	3	128.0328	9.720	41	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	3:3:3:2:	3:3:2:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6,6a]-3:C[5,6a]-3:C[5,6]-3:O-2:	C[5,6]-3:C[5]-3:O-2:	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]C[5]O)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6]C[5])(OO)	C[5](C[5,6]C[5,6]2)(C[5]C[5]O)(OC[5])	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]C[5]O){1|O<1>,2|O<2>,5|C<3>}	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6]C[5])(OO){1|O<2>,2|C<4>,6|C<3>}	C[5](C[5,6]C[5,6]2)(C[5]C[5]O)(OC[5]){1|C<4>,2|C<3>,2|O<2>}	129.3395	0.005	2	129.3395	0.000	2	129.3395	0.000	2	128.3143	3.153	3	128.0328	9.720	41	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	3:3:3:2:	3:4:1:	C[5,6]-4:N[5,6]-3:C[5]-3:	N[5a,6]-3:C[5,6]-3:C[5]-3:N[5]-2:	C[5,6]-3:C[5]-4:H-1:	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])	C[5](C[5,6]C[5,6]N[5,6])(C[5]C[5]HH)(H)	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>}	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>}	C[5](C[5,6]C[5,6]N[5,6])(C[5]C[5]HH)(H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	127.4800	0.602	2	127.4800	0.363	2	127.4800	0.363	2	127.4800	0.363	2	128.0328	9.720	41	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	3:3:3:2:	4:3:2:	C[5,6]-4:C[5,6,6]-3:C[5]-3:	C[5,6,6a]-3:C[5,6a]-3:C[5,6]-3:O-2:	C[5,6]-4:C[5,6]-3:O-2:	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6,6]C[5,6,6]2)(C[5]C[5,6]O)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6,6]C[5])(OO)	C[5](C[5,6]C[5,6,6]C[5,6]O)(C[5,6]C[5,6,6]C[5,6])(OC[5])	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6,6]C[5,6,6]2)(C[5]C[5,6]O){2|C<4>,2|O<2>,5|C<3>}	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6,6]C[5])(OO){1|O<2>,3|C<4>,5|C<3>}	C[5](C[5,6]C[5,6,6]C[5,6]O)(C[5,6]C[5,6,6]C[5,6])(OC[5]){1|O<2>,2|C<4>,5|C<3>}	128.2990	0.000	1	128.2990	0.000	1	128.2990	0.000	1	128.2990	0.000	1	128.0328	9.720	41	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6a]-3:C[5,6]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6a]O[6])(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]N[5]O)(C[6]C[6]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(O)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6a]O[6])(C[5]C[5,6a]O){1|C<2>,1|N<3>,1|O<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(O){1|H<1>,1|O<2>,5|C<3>}	129.1840	0.000	1	129.1840	0.000	1	129.1840	0.000	1	127.1105	1.958	4	128.0328	9.720	41	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6a]-3:C[5,6]-3:C[6,6]-3:C[5]-3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(O)	C[5,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O){1|C<4>,1|N<3>,1|O<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[5]N[5]O){1|H<1>,1|N<3>,2|O<1>,3|C<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(O){1|H<1>,1|N<3>,5|C<3>}	126.2710	0.098	2	126.2710	0.010	2	126.2710	0.010	2	127.1105	1.958	4	128.0328	9.720	41	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[6,6a]-3:C[5,6]-3:C[5,6]-3:C[5]-3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[6,6a]C[5,6]C[5])(C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5,6]C[5,6]C[6])(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(O)	C[5,6](C[5,6]C[6,6a]C[5,6]C[5])(C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5,6]C[5,6]C[6])(C[5]N[5]O){1|H<1>,1|N<3>,2|C<4>,2|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(O){1|H<1>,1|N<3>,5|C<3>}	126.7160	0.000	1	126.7160	0.000	1	126.7160	0.000	1	127.1105	1.958	4	128.0328	9.720	41	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	3:3:3:3:	3:4:1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5a,6]-3:C[5,6]-3:C[5]-3:C[5]-3:	C[5,6]-3:C[5]-4:O-1:	C[5,6](C[5,6]C[5a,6]C[5]2)(C[5,6]C[5]O[6])(C[5]C[5]O)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5])(C[5]C[5,6a]O)2	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5a,6]C[5]2)(C[5,6]C[5]O[6])(C[5]C[5]O){2|O<1>,4|C<3>,4|H<1>}	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5])(C[5]C[5,6a]O)2{1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(O){1|O<2>,2|H<1>,3|C<3>}	125.9130	0.000	1	125.9130	0.000	1	125.9130	0.000	1	125.9130	0.000	1	128.0328	9.720	41	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	3:3:3:3:	4:3:3:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6a]-3:C[5,6]-3:C[6]-3:C[5]-3:	C[5]-4:C[5,6]-3:C-3:	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[6,6a]O[5])(C[5]C[5]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6]C[6,6a]O)(C[5]N[5]O)	C[5](C[5]C[6a]O[5]O)(C[5,6]C[5,6]2)(CCH)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[6,6a]O[5])(C[5]C[5]C){1|N<3>,1|O<2>,2|O<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6]C[6,6a]O)(C[5]N[5]O){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	C[5](C[5]C[6a]O[5]O)(C[5,6]C[5,6]2)(CCH){6|C<3>}	129.9260	0.000	1	129.9260	0.000	1	129.9260	0.000	1	129.9260	0.000	1	128.0328	9.720	41	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	3:4:3:3:	3:4:1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6a]-3:C[6,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[5]-4:O-1:	C[5,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5,6]C[5]C[6])(C[5]C[5]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]S[6]H)(C[5,6]C[5,6]C[5])(C[5]N[5]O)	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5,6]C[5]C[6])(C[5]C[5]O){1|N<3>,1|O<1>,1|S<2>,4|C<3>,5|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]S[6]H)(C[5,6]C[5,6]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(O){1|C<4>,2|H<1>,3|C<3>}	125.0865	0.685	2	125.0865	0.469	2	125.0865	0.469	2	125.0865	0.469	2	128.0328	9.720	41	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	3:4:4:1:	3:3:1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6a]O[6])(C[5]C[5,6a]O)	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6a]O[6])(C[5]C[5,6a]O){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H){1|O<1>,1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	129.2410	0.000	1	129.2410	0.000	1	129.2410	0.000	1	129.2410	0.000	1	128.0328	9.720	41	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	3:4:4:3:	3:3:1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[5]-3:O-1:	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])(C[5]C[5]O)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O)	C[5](C[5,6]C[5,6]2)(C[5]C[5]C)(O)	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])(C[5]C[5]O){1|C<3>,1|O<1>,1|O<2>,4|H<1>,6|C<4>}	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]2)(C[5]C[5]C)(O){1|C<3>,1|H<1>,4|C<4>}	122.5360	0.000	1	122.9485	0.340	2	122.9485	0.340	2	122.9485	0.340	2	128.0328	9.720	41	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	3:4:4:3:	3:3:1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[5]-3:O-1:	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])(C[5]C[5]O)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O)	C[5](C[5,6]C[5,6]2)(C[5]C[5]C)(O)	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])(C[5]C[5]O){1|C<3>,1|O<1>,5|H<1>,6|C<4>}	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]2)(C[5]C[5]C)(O){1|C<3>,1|H<1>,4|C<4>}	123.3610	0.000	1	122.9485	0.340	2	122.9485	0.340	2	122.9485	0.340	2	128.0328	9.720	41	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	3:4:4:3:	3:4:1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[5]-4:O-1:	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])(C[5]C[5]O)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O)	C[5](C[5,6]C[5,6]2)(C[5]C[5]CH)(O)	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])(C[5]C[5]O){1|O<1>,1|O<2>,5|H<1>,7|C<4>}	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]2)(C[5]C[5]CH)(O){1|C<3>,1|H<1>,4|C<4>}	123.9810	0.000	1	123.9810	0.000	1	123.9810	0.000	1	123.9810	0.000	1	128.0328	9.720	41	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	4:3:4:1:	3:4:1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-3:C[5]-4:O-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]O[6])(C[5]C[5]O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(C[5]O[5]CH)(H)	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]O[6])(C[5]C[5]O){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(C[5]O[5]CH)(H){2|O<1>,2|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(O){1|O<2>,2|C<4>,3|H<1>}	126.7980	0.110	2	126.7980	0.012	2	126.7980	0.012	2	126.7980	0.012	2	128.0328	9.720	41	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:3:3:2:	3:3:3:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6a]-3:C[5,6]-3:C[5,6]-3:O-2:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[5,6]O)(C[5]C[5,6a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])2(OC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(C[6a]C[6a]2)	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[5,6]O)(C[5]C[5,6a]C[6a]){1|C<4>,8|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])2(OC){1|C<4>,1|H<1>,1|O<2>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(C[6a]C[6a]2){2|Cl<1>,1|C<4>,1|H<1>,1|O<2>,7|C<3>}	131.8100	0.000	1	131.8100	0.000	1	131.5405	0.145	2	131.5405	0.145	2	128.0328	9.720	41	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:3:3:2:	3:3:3:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6a]-3:C[5,6]-3:C[5,6]-3:O-2:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6a]C[5,6]O)2(C[5]C[5,6a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])2(OC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(C[6a]C[6a]2)	C[5,6](C[5,6]C[5,6a]C[5,6]O)2(C[5]C[5,6a]C[6a]){1|C<4>,8|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])2(OC){1|C<4>,1|H<1>,1|O<2>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(C[6a]C[6a]2){2|Cl<1>,1|H<1>,2|O<2>,7|C<3>}	131.2710	0.000	1	131.2710	0.000	1	131.5405	0.145	2	131.5405	0.145	2	128.0328	9.720	41	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:3:3:4:	3:3:3:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6a]-3:C[5,6]-3:C[5,6]-3:C-4:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[5,6]O)(C[5]C[5,6a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])2(CHHO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(C[6a]C[6a]2)	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[5,6]O)(C[5]C[5,6a]C[6a]){1|C<4>,8|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])2(CHHO){1|H<1>,2|O<2>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(C[6a]C[6a]2){2|Cl<1>,1|C<4>,1|H<1>,1|O<2>,7|C<3>}	132.5430	0.000	1	132.5430	0.000	1	132.5430	0.000	1	132.5430	0.000	1	128.0328	9.720	41	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:4:1:	3:3:1:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]O)(C[5]C[5]H)	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]2)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]O)(C[5]C[5]H){1|O<1>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[5](C[5,6]C[5,6]2)(C[5]O[5]O)(H){1|H<1>,1|O<2>,3|C<4>}	135.5280	0.000	1	135.5280	0.000	1	135.5280	0.000	1	135.5280	0.000	1	128.0328	9.720	41	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:4:3:	3:4:4:	C[5,3x6]-4:C[5,6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C-4:	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[5,6]C[5]2C[6])(C[5]C[5]C)	C[5,6](C[5,6]C[5,3x6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(C[5]O[5]O)	C[5](C[5,6]C[5,3x6]C[5,6])(C[5]C[5,6,6]HH)(CCCO)	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[5,6]C[5]2C[6])(C[5]C[5]C){1|C<3>,1|O<1>,1|O<2>,4|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,3x6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(C[5]O[5]O){4|H<1>,5|C<4>}	C[5](C[5,6]C[5,3x6]C[5,6])(C[5]C[5,6,6]HH)(CCCO){1|C<3>,2|H<1>,4|C<4>}	131.2180	0.024	2	131.2180	0.001	2	131.2180	0.001	2	131.2180	0.001	2	128.0328	9.720	41	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:4:4:	3:4:1:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-3:C[5,6]-4:C[5]-4:C-4:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5,6]CH)(C[5]O[5]HH)(CH3)	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|O<2>,3|C<4>,8|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5,6]CH)(C[5]O[5]HH)(CH3){1|H<1>,1|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(H){1|H<1>,6|C<4>}	127.5230	0.000	1	127.5230	0.000	1	128.1123	0.536	3	128.1123	0.536	3	128.0328	9.720	41	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:4:4:	3:4:1:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-3:C[5,6]-4:C[5]-4:C-4:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5,6]ClC)(C[5]O[5]HH)(CH3)	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5,6]ClC)(C[5]O[5]HH)(CH3){1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(H){1|C<3>,1|H<1>,5|C<4>}	128.9320	0.000	1	128.9320	0.000	1	128.1123	0.536	3	128.1123	0.536	3	128.0328	9.720	41	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:4:4:	3:4:1:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-3:C[5,6]-4:C[5]-4:C-4:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5,6]ClC)(C[5]O[5]HO)(CH3)	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|Cl<1>,1|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5,6]ClC)(C[5]O[5]HO)(CH3){1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(H){1|C<3>,1|H<1>,5|C<4>}	127.8820	0.000	1	127.8820	0.000	1	128.1123	0.536	3	128.1123	0.536	3	128.0328	9.720	41	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	4:3:2:1:	3:3:4:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6,6]-4:C[5,6]-3:O[5]-2:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[5,6]C[6]O[5]O)(C[5]C[5]C)	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6]C[5,6]C[5])(O[5]C[5])(H)	C[5](C[5,6]C[5,6]2)(C[5]O[5]O)(CH3)	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[5,6]C[6]O[5]O)(C[5]C[5]C){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6]C[5,6]C[5])(O[5]C[5])(H){1|H<1>,1|O<1>,2|C<3>,2|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]2)(C[5]O[5]O)(CH3){1|H<1>,2|C<4>,2|O<2>}	133.1795	0.299	2	133.1795	0.089	2	133.1795	0.089	2	133.1795	0.089	2	128.0328	9.720	41	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	4:3:2:4:	3:4:1:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-4:C[5,6]-3:O[5]-2:C-4:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[5])(O[5]C[5,6])(CH3)	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[5])(O[5]C[5,6])(CH3){1|O<2>,3|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	130.2935	0.619	2	128.9123	5.914	3	128.9123	5.914	3	128.9123	5.914	3	128.0328	9.720	41	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	4:3:2:4:	3:4:1:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-4:C[5,6]-3:O[5]-2:C-4:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[5])(O[5]C[5,6])(CH3)	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H){2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[5])(O[5]C[5,6])(CH3){1|C<3>,3|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	126.1500	0.000	1	128.9123	5.914	3	128.9123	5.914	3	128.9123	5.914	3	128.0328	9.720	41	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	4:3:4:3:	4:3:1:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-4:C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]C)(C[5]C[5,6]H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,6]C[5])(C[5]C[5]HH)(C[6]C[6]O)	C[5](C[5,6]C[5,6]O[6]H)(C[5,6]C[5,6]2)(H)	C[5,6](C[5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]C)(C[5]C[5,6]H){1|O<1>,1|O<2>,5|H<1>,7|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,6]C[5])(C[5]C[5]HH)(C[6]C[6]O){6|C<4>,8|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5,6]C[5,6]2)(H){1|C<3>,7|C<4>}	127.7045	0.360	2	127.7045	0.130	2	127.7045	0.130	2	127.7045	0.130	2	128.0328	9.720	41	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:3:4:	3:2:1:1:	3:4:3:	C[5,6]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-3:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6])(C[5]O[5]HH)	C[5](C[5,6]C[5,6]2)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6])(C[5]O[5]HH){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]2)(O[5]C[5])(H)2{1|C<3>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	128.4590	0.000	1	128.4590	0.000	1	128.4590	0.000	1	128.4590	0.000	1	128.7603	1.069	31	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:3:4:	3:4:1:1:	3:4:3:	C[5,6]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-4:F-1:F-1:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5])(C[5]C[5]FF)	C[5](C[5,6]C[5,6]2)(C[5]C[5]FF)(F)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5])(C[5]C[5]FF){1|S<2>,2|C<4>,3|C<3>,4|F<1>}	C[5](C[5,6]C[5,6]2)(C[5]C[5]FF)(F)2{1|C<4>,2|C<3>,2|F<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5]){1|H<1>,1|S<2>,2|F<1>,3|C<3>,3|C<4>}	128.4002	0.905	6	128.4002	0.818	6	128.4002	0.818	6	128.4002	0.818	6	128.7603	1.069	31	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:3:4:	3:4:1:1:	4:3:3:	C[5,6]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-4:F-1:F-1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[5,6]C[5])2(C[5]C[5]FF)	C[5](C[5,6]C[5,6]2)(C[5]C[5]FF)(F)2	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]C)	C[5,6](C[5,6]C[5,6]C[5])2(C[5]C[5]FF){1|S<2>,2|C<3>,3|C<4>,4|F<1>}	C[5](C[5,6]C[5,6]2)(C[5]C[5]FF)(F)2{1|C<4>,2|C<3>,2|F<1>}	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]C){1|S<2>,2|C<3>,2|F<1>,3|C<4>}	131.5950	0.033	2	131.5950	0.001	2	129.1370	1.586	14	129.1370	1.586	14	128.7603	1.069	31	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:3:4:	3:4:1:1:	4:3:3:	C[5,6]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-4:F-1:F-1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[5,6]C[5])2(C[5]C[5]FF)	C[5](C[5,6]C[5,6]2)(C[5]C[5]FF)(F)2	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H)	C[5,6](C[5,6]C[5,6]C[5])2(C[5]C[5]FF){1|H<1>,1|S<2>,2|C<3>,2|C<4>,4|F<1>}	C[5](C[5,6]C[5,6]2)(C[5]C[5]FF)(F)2{1|C<4>,2|C<3>,2|F<1>}	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H){1|C<3>,1|S<2>,2|F<1>,4|C<4>}	128.9360	1.083	2	128.7273	0.592	12	129.1370	1.586	14	129.1370	1.586	14	128.7603	1.069	31	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:3:4:	3:4:1:1:	4:3:3:	C[5,6]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-4:F-1:F-1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[5,6]C[5])2(C[5]C[5]FF)	C[5](C[5,6]C[5,6]2)(C[5]C[5]FF)(F)2	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H)	C[5,6](C[5,6]C[5,6]C[5])2(C[5]C[5]FF){1|H<1>,1|S<2>,2|C<3>,2|C<4>,4|F<1>}	C[5](C[5,6]C[5,6]2)(C[5]C[5]FF)(F)2{1|C<4>,2|C<3>,2|F<1>}	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H){1|Fe<8>,1|C<3>,1|S<2>,2|F<1>,3|C<4>}	129.1370	0.994	2	128.7273	0.592	12	129.1370	1.586	14	129.1370	1.586	14	128.7603	1.069	31	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:3:4:	3:4:1:1:	4:3:3:	C[5,6]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-4:F-1:F-1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[5,6]C[5])2(C[5]C[5]FF)	C[5](C[5,6]C[5,6]2)(C[5]C[5]FF)(F)2	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H)	C[5,6](C[5,6]C[5,6]C[5])2(C[5]C[5]FF){1|H<1>,1|S<2>,2|C<3>,2|C<4>,4|F<1>}	C[5](C[5,6]C[5,6]2)(C[5]C[5]FF)(F)2{1|C<4>,2|C<3>,2|F<1>}	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H){1|Ru<8>,1|C<3>,1|S<2>,2|F<1>,3|C<4>}	129.0115	0.289	2	128.7273	0.592	12	129.1370	1.586	14	129.1370	1.586	14	128.7603	1.069	31	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:3:4:	3:4:1:1:	4:3:3:	C[5,6]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-4:F-1:F-1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[5,6]C[5])2(C[5]C[5]FF)	C[5](C[5,6]C[5,6]2)(C[5]C[5]FF)(F)2	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H)	C[5,6](C[5,6]C[5,6]C[5])2(C[5]C[5]FF){1|H<1>,1|S<2>,2|C<3>,2|C<4>,4|F<1>}	C[5](C[5,6]C[5,6]2)(C[5]C[5]FF)(F)2{1|C<4>,2|C<3>,2|F<1>}	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H){1|S<2>,2|C<3>,2|F<1>,3|C<4>}	128.4265	0.793	6	128.7273	0.592	12	129.1370	1.586	14	129.1370	1.586	14	128.7603	1.069	31	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:4:	3:2:1:1:	3:4:4:	C[5,6]-3:C[5,6]-4:C[5]-4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-3:C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]O[5]HH)	C[5](C[5,6]C[5,6]2)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]O)(C[5]O[5]HH)	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]O[5]HH){1|C<3>,1|C<4>,2|O<2>,6|H<1>}	C[5](C[5,6]C[5,6]2)(O[5]C[5])(H)2{2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]O)(C[5]O[5]HH){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	128.7100	0.530	2	128.7100	0.281	2	128.7208	0.099	4	128.7208	0.099	4	128.7603	1.069	31	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:4:	3:2:1:1:	3:4:4:	C[5,6]-3:C[5,6]-4:C[5]-4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-3:C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]O)(C[5]O[5]HH)	C[5](C[5,6]C[5,6]2)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]O[5]HH)	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]O)(C[5]O[5]HH){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]2)(O[5]C[5])(H)2{1|O<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]O[5]HH){1|C<3>,1|C<4>,2|O<2>,6|H<1>}	128.7315	0.129	2	128.7315	0.017	2	128.7208	0.099	4	128.7208	0.099	4	128.7603	1.069	31	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:4:	3:3:1:1:	3:4:4:	C[5,6]-3:C[5,6]-4:C[5]-4:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5,6]-3:C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)	C[5](C[5,6]C[5,6]2)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[5]N[5]HH){1|N<3>,1|S<4>,2|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]2)(N[5]C[5]S)(H)2{3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[5]N[5]HH){1|N<3>,1|S<4>,2|C<4>,7|H<1>}	128.4625	0.951	4	128.4625	0.905	4	128.4625	0.905	4	128.4625	0.905	4	128.7603	1.069	31	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:4:	3:4:2:1:	4:3:4:	C[5,6]-3:C[5,6]-4:C[5]-4:	C[5,6]-3:C[5]-4:O-2:H-1:	C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HO)	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(OH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[5])(C[5]C[5,6]HH)	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HO){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(OH)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[5])(C[5]C[5,6]HH){2|C<3>,2|O<2>,4|C<4>,4|H<1>}	127.8490	0.000	1	127.8490	0.000	1	127.8490	0.000	1	127.8490	0.000	1	128.7603	1.069	31	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	4:3:4:	4:3:1:1:	3:4:4:	C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-3:C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[5])(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]2)(H)2	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HO)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[5])(C[5]C[5,6]HH){2|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]2)(H)2{1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HO){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	128.2080	0.000	1	128.2080	0.000	1	128.2080	0.000	1	128.2080	0.000	1	128.7603	1.069	31	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	3:4:3:	3:4:2:2:	3:2:2:	C[5,5]-3:C[5,5]-4:C[5]-3:	C[5]-3:C[5]-4:S[5]-2:S[5]-2:	C[5]-3:S[5]-2:S[5]-2:	C[5](C[5,5]C[5,5]S[5])(C[5,5]C[5]S[5]2)(C[5]S[5]2)	C[5,5](C[5]C[5,5]C[5])(C[5]C[5,5]HH)(S[5]C[5])2	C[5](C[5]C[5,5]2)(S[5]C[5])2	C[5](C[5,5]C[5,5]S[5])(C[5,5]C[5]S[5]2)(C[5]S[5]2){1|S<2>,2|H<1>,5|C<3>}	C[5,5](C[5]C[5,5]C[5])(C[5]C[5,5]HH)(S[5]C[5])2{2|H<1>,4|S<2>}	C[5](C[5]C[5,5]2)(S[5]C[5])2{1|C<3>,1|C<4>,2|H<1>,3|S<2>}	126.5720	0.000	1	126.5720	0.000	1	126.5720	0.000	1	126.5720	0.000	1	125.3204	5.417	8	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:3:2:2:	3:3:3:	C[5,5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:O[5]-2:O[5]-2:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]N[5])(N[5]C[5,6a]C)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O[5]C[5])2	C[5](C[5]C[5,5]N[5])(C[5]C[5,6a]O)(N[5]C[5,6a]C)	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]N[5])(N[5]C[5,6a]C){1|O<1>,3|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O[5]C[5])2{1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5](C[5]C[5,5]N[5])(C[5]C[5,6a]O)(N[5]C[5,6a]C){2|O<2>,5|C<3>}	124.4900	0.000	1	123.7710	1.034	2	124.8077	3.741	3	124.8077	3.741	3	125.3204	5.417	8	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:3:2:2:	3:3:3:	C[5,5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:O[5]-2:O[5]-2:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]N[5])(N[5]C[5,6a]C)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O[5]C[5])2	C[5](C[5]C[5,5]N[5])(C[5]C[5,6a]O)(N[5]C[5,6a]C)	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]N[5])(N[5]C[5,6a]C){1|O<1>,3|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O[5]C[5])2{1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5,5]N[5])(C[5]C[5,6a]O)(N[5]C[5,6a]C){1|C<4>,2|O<2>,4|C<3>}	123.0520	0.000	1	123.7710	1.034	2	124.8077	3.741	3	124.8077	3.741	3	125.3204	5.417	8	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:3:2:2:	3:3:3:	C[5,5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:O[5]-2:O[5]-2:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]N[5])(N[5]C[5,6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O[5]C[5])2	C[5](C[5]C[5,5]N[5])(C[5]C[5,6a]O)(N[5]C[5,6a]C)	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]N[5])(N[5]C[5,6a]H){1|O<1>,3|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O[5]C[5])2{1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5](C[5]C[5,5]N[5])(C[5]C[5,6a]O)(N[5]C[5,6a]C){1|H<1>,2|O<2>,4|C<3>}	126.8810	0.000	1	126.8810	0.000	1	124.8077	3.741	3	124.8077	3.741	3	125.3204	5.417	8	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	4:3:3:1:	3:3:3:	C[5,5]-4:N[5]-3:C[5]-3:	C[5]-4:N[5,5,6]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C[5]-3:	C[5](C[5,5]N[5,5,6]C[5]H)(N[5]C[5,6]H)(C[5]C[5]2)	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5,6]C[5,6]2)(C[5]C[5]N[5])(H)	C[5](C[5]C[5,5]N[5])(C[5]C[5,6a]O)2	C[5](C[5,5]N[5,5,6]C[5]H)(N[5]C[5,6]H)(C[5]C[5]2){2|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5,6]C[5,6]2)(C[5]C[5]N[5])(H){1|C<4>,3|H<1>,7|C<3>}	C[5](C[5]C[5,5]N[5])(C[5]C[5,6a]O)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	129.1260	0.000	1	129.1260	0.000	1	129.1260	0.000	1	129.1260	0.000	1	125.3204	5.417	8	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	4:4:3:1:	3:4:2:	C[5,5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-4:O[5]-2:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O[5])(C[5]C[5]O)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]HH)(C[5]C[5]2)(H)	C[5](C[5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5])	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O[5])(C[5]C[5]O){1|O<2>,3|C<4>,7|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]HH)(C[5]C[5]2)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5]){1|O<1>,4|C<4>,4|H<1>}	124.7370	2.718	2	124.7370	7.388	2	124.7370	7.388	2	124.7370	7.388	2	125.3204	5.417	8	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	4:4:3:3:	3:3:3:	C[5,5]-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]N[5])(C[5]C[5]H)	C[5,5](C[5]C[5]HH)2(C[5]C[5]2)(N[5]C[5]H)	C[5](C[5]C[5,5]C[5])(C[5]N[5]H)(N[5]N[5]C)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]N[5])(C[5]C[5]H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,8|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]C[5]2)(N[5]C[5]H){1|C<3>,1|N<3>,1|O<1>,5|H<1>}	C[5](C[5]C[5,5]C[5])(C[5]N[5]H)(N[5]N[5]C){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	122.9680	0.000	1	122.9680	0.000	1	122.9680	0.000	1	122.9680	0.000	1	125.3204	5.417	8	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5,6,6]	C[5]	4:3:3:	4:4:3:3:	3:3:1:	C[5,6,6]-4:C[5]-3:C[5]-3:	C[5,3x6]-4:C[5,6,6]-4:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5,6,6]C[5,3x6]C[5,6,6]C[5,6a])(C[5]C[5,6a]O)2	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]C[5])(O)	C[5](C[5,6,6]C[5,3x6]C[5,6,6]C[5,6a])(C[5]C[5,6a]O)2{1|H<1>,2|C<4>,7|C<3>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]2){1|C<4>,1|O<2>,2|H<1>,3|O<1>,9|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]C[5])(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	117.4600	0.000	1	117.4600	0.000	1	117.4600	0.000	1	117.4600	0.000	1	127.2705	192.492	2	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5,6,6]	C[5]	4:3:3:	4:4:3:3:	3:3:2:	C[5,6,6]-4:C[5]-3:C[5]-3:	C[5,3x6]-4:C[5,6,6]-4:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-2:	C[5](C[5,6,6]C[5,3x6]C[5,6,6]C[5,6a])(C[5]C[5,6a]O)2	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]C[5])(OH)	C[5](C[5,6,6]C[5,3x6]C[5,6,6]C[5,6a])(C[5]C[5,6a]O)2{1|H<1>,2|C<4>,7|C<3>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]2){1|C<4>,1|O<2>,2|H<1>,3|O<1>,9|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]C[5])(OH){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	137.0810	0.000	1	137.0810	0.000	1	137.0810	0.000	1	137.0810	0.000	1	127.2705	192.492	2	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	3:4:2:3:	3:4:1:	C[5,6]-4:C[5]-3:C[5]-3:	C[5,6]-3:C[6]-4:O[5]-2:C[5]-3:	C[5]-3:C[5]-4:O-1:	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]C)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5,5])(C[5]C[5]2)	C[5](C[5]C[5,6]C[5])(C[5]C[5]HH)(O)	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]C)(C[5]C[5]O){1|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5,5])(C[5]C[5]2){1|O<1>,5|H<1>,6|C<4>}	C[5](C[5]C[5,6]C[5])(C[5]C[5]HH)(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	127.1060	0.000	1	127.1060	0.000	1	127.1060	0.000	1	127.1060	0.000	1	127.1012	4.509	6	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	3:4:2:3:	3:4:4:	C[5,6]-4:C[5]-3:C[5]-3:	C[5,6]-3:C[6]-4:O[5]-2:C[5]-3:	C[5]-3:C[5]-4:C-4:	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]C)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5,5])(C[5]C[5]2)	C[5](C[5]C[5,6]C[5])(C[5]C[5]HH)(CC[5]HH)	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]C)(C[5]C[5]O){1|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5,5])(C[5]C[5]2){1|O<1>,5|H<1>,6|C<4>}	C[5](C[5]C[5,6]C[5])(C[5]C[5]HH)(CC[5]HH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	124.4260	0.000	1	124.4260	0.000	1	124.4260	0.000	1	124.4260	0.000	1	127.1012	4.509	6	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:3:3:1:	3:3:2:	C[5,6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:O[5]-2:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O[5])(C[5]S[5]O)	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]Cl)(C[5]C[5]2)(H)	C[5](C[5]C[5,6]C[5])(N[5]C[5]H)(O[5]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O[5])(C[5]S[5]O){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]Cl)(C[5]C[5]2)(H){2|Cl<1>,1|C<3>,1|N<3>,1|O<1>,1|O<2>}	C[5](C[5]C[5,6]C[5])(N[5]C[5]H)(O[5]C[5]){1|C<3>,1|O<1>,1|S<2>,3|C<4>,3|H<1>}	125.0500	0.000	1	125.0500	0.000	1	125.0500	0.000	1	125.0500	0.000	1	127.1012	4.509	6	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:3:3:3:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[5]-3:	C[5,6]-4:C[6,6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:N-3:	C[5](C[5,6]C[6,6a]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5,6a]O)	C[5](C[5]C[5,6a]C[5,6])(C[5]C[5,6a]O)(NC[6a]H)	C[5](C[5,6]C[6,6a]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]N){1|C<4>,2|H<1>,2|O<1>,6|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5,6a]O){1|C<4>,1|O<2>,2|N<3>,8|C<3>}	C[5](C[5]C[5,6a]C[5,6])(C[5]C[5,6a]O)(NC[6a]H){1|C<4>,4|C<3>}	129.1065	1.623	2	129.1065	2.634	2	129.1065	2.634	2	129.1065	2.634	2	127.1012	4.509	6	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:4:3:	4:4:4:3:	3:4:1:	C[5,6]-4:C[5]-4:C[5]-3:	C[5,6]-4:C[5,6]-4:C[6]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[5,6]C[5,6]2C[6])(C[5]C[5]CH)(C[5]C[5]H)	C[5,6](C[5,6]C[5,5,6]O[6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[5]C[5]2)	C[5](C[5]C[5,6]C[5])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]2C[6])(C[5]C[5]CH)(C[5]C[5]H){1|O<2>,5|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,5,6]O[6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[5]C[5]2){1|C<3>,1|N<3>,6|C<4>,7|H<1>}	C[5](C[5]C[5,6]C[5])(C[5]C[5]HH)(H){3|H<1>,4|C<4>}	127.8120	0.000	1	127.8120	0.000	1	127.8120	0.000	1	127.8120	0.000	1	127.1012	4.509	6	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5,6,6]	3:4:3:	3:2:2:4:	4:2:3:	C[5,6,6]-3:C[5]-4:C[5]-3:	C[5]-3:S[5]-2:S[5]-2:C-4:	C[5,3x6]-4:O[6,6]-2:C[5]-3:	C[5](C[5,6,6]C[5,3x6]O[6,6])(C[5]S[5]2C)(C[5]O[5]O)	C[5](C[5]C[5,6,6]C[5])(S[5]C[5])2(CCCH)	C[5,6,6](C[5,3x6]C[6,6]2O[5])(O[6,6]C[3x6])(C[5]C[5]2)	C[5](C[5,6,6]C[5,3x6]O[6,6])(C[5]S[5]2C)(C[5]O[5]O){5|C<4>}	C[5](C[5]C[5,6,6]C[5])(S[5]C[5])2(CCCH){1|C<4>,1|O<1>,2|O<2>,4|H<1>}	C[5,6,6](C[5,3x6]C[6,6]2O[5])(O[6,6]C[3x6])(C[5]C[5]2){1|C<3>,1|O<1>,2|S<2>,3|C<4>,4|H<1>}	135.1450	0.000	1	135.1450	0.000	1	135.1450	0.000	1	135.1450	0.000	1	135.1450	0.000	1	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:3:1:1:	3:4:2:	C[5,5a]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-4:N[5]-2:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]N[5])(C[5]C[5]HH)	C[5](C[5]C[5,5a]C[5])(C[5]C[5,5a]O)(H)2	C[5](C[5]C[5,5a]C[5])(C[5]C[5]HH)(N[5]C[5])	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]N[5])(C[5]C[5]HH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[5,5a]C[5])(C[5]C[5,5a]O)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[5](C[5]C[5,5a]C[5])(C[5]C[5]HH)(N[5]C[5]){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	128.3520	0.444	2	128.3520	0.197	2	128.3520	0.197	2	128.3520	0.197	2	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:3:1:1:	3:4:3:	C[5,5a]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-4:N[5]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]N[5])(C[5]C[5]HH)	C[5](C[5]C[5,5a]C[5])(C[5]C[5,5a]O)(H)2	C[5](C[5]C[5,5a]C[5])(C[5]C[5]CH)(N[5]C[5]Ni)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]N[5])(C[5]C[5]HH){1|Ni<4>,1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5]C[5,5a]C[5])(C[5]C[5,5a]O)(H)2{1|C<3>,1|C<4>,2|N<3>}	C[5](C[5]C[5,5a]C[5])(C[5]C[5]CH)(N[5]C[5]Ni){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	134.1425	0.917	2	134.1425	0.841	2	134.1425	0.841	2	134.1425	0.841	2	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:3:3:1:	3:4:2:	C[5,5a]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-3:C-3:H-1:	C[5]-3:C[5]-4:N[5]-2:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]N[5])(C[5]C[5]CH)	C[5](C[5]C[5,5a]C[5])(C[5]C[5,5a]O)(COO)(H)	C[5](C[5]C[5,5a]C[5])(C[5]C[5]CH)(N[5]C[5])	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]N[5])(C[5]C[5]CH){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5a]C[5])(C[5]C[5,5a]O)(COO)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[5](C[5]C[5,5a]C[5])(C[5]C[5]CH)(N[5]C[5]){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	126.2020	0.079	2	126.2020	0.006	2	126.6207	0.529	3	126.6207	0.529	3	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:3:3:1:	3:4:2:	C[5,5a]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-3:C-3:H-1:	C[5]-3:C[5]-4:N[5]-2:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]N[5])(C[5]C[5]CH)	C[5](C[5]C[5,5a]C[5])(C[5]C[5,5a]O)(COO)(H)	C[5](C[5]C[5,5a]C[5])(C[5]C[5]HH)(N[5]C[5])	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]N[5])(C[5]C[5]CH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[5,5a]C[5])(C[5]C[5,5a]O)(COO)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[5](C[5]C[5,5a]C[5])(C[5]C[5]HH)(N[5]C[5]){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	127.4580	0.000	1	127.4580	0.000	1	126.6207	0.529	3	126.6207	0.529	3	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:3:3:2:	3:3:4:	C[5,6a]-3:C[5]-3:C[5]-4:	C[6a]-3:C[5]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[6a]2O[5])	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a])	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5,6a]C[5])(C[5]C[5]FF)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[6a]2O[5]){1|C<4>,1|H<1>,2|F<1>,8|C<3>}	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a]){1|C<4>,1|O<2>,2|H<1>,8|C<3>}	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5,6a]C[5])(C[5]C[5]FF){1|O<2>,2|F<1>,7|C<3>}	128.5970	0.000	1	128.5970	0.000	1	128.5970	0.000	1	128.5970	0.000	1	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-4:F-1:F-1:	C[5,6a]-3:C[5]-3:C[5]-4:	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5,6a]C[5])(C[5]C[5]FF)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]FF)(F)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[6a]2O[5])	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5,6a]C[5])(C[5]C[5]FF){1|O<2>,2|F<1>,7|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]FF)(F)2{1|C<4>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[6a]2O[5]){1|C<4>,1|H<1>,2|F<1>,8|C<3>}	126.9100	0.000	1	126.9100	0.000	1	126.9100	0.000	1	123.2404	4.230	5	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]HH)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H)2{1|C<4>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	122.3230	0.170	4	122.3230	0.029	4	122.3230	0.029	4	123.2404	4.230	5	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:4:1:1:	3:4:2:	C[5,5a]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:N[5]-2:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]N[5])(C[5]C[5]HH)	C[5](C[5]C[5,5a]C[5])(C[5]C[5,5a]HH)(H)2	C[5](C[5]C[5,5a]C[5])(C[5]C[5]CH)(N[5]C[5])	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]N[5])(C[5]C[5]HH){2|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5,5a]C[5])(C[5]C[5,5a]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[5](C[5]C[5,5a]C[5])(C[5]C[5]CH)(N[5]C[5]){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	126.8965	0.088	2	126.8965	0.008	2	126.8965	0.008	2	126.8965	0.008	2	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]2H){1|O<1>,5|H<1>,6|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H){1|C<4>,5|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	130.3720	0.000	1	130.3720	0.000	1	130.3720	0.000	1	130.3720	0.000	1	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]2)(C[5]C[5]CH)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]CH)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]2)(C[5]C[5]CH){1|C<4>,1|H<1>,7|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]CH)(CH3)(H){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]C[5]){2|C<4>,3|H<1>,6|C<3>}	125.8550	0.000	1	125.8550	0.000	1	124.6770	2.775	2	124.3090	1.794	3	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]2)(C[5]C[5]CH)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CC3)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]2)(C[5]C[5]CH){2|H<1>,7|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CC3)(H){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]C[5]){2|C<4>,3|H<1>,6|C<3>}	123.4990	0.000	1	123.4990	0.000	1	124.6770	2.775	2	124.3090	1.794	3	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]CH)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]CH){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)(H){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O){2|H<1>,3|C<4>,4|C<3>}	123.5730	0.000	1	123.5730	0.000	1	123.5730	0.000	1	124.3090	1.794	3	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]CH)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]CH){3|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)(H){1|C<4>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]CH){3|C<4>,3|H<1>,4|C<3>}	124.6081	0.800	8	124.6081	0.639	8	123.6103	3.503	18	123.6103	3.503	18	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[5])(C[5]C[5]CH)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CC3)(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[5])(C[5]C[5]CH)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[5])(C[5]C[5]CH){2|C<4>,3|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CC3)(H){1|C<4>,3|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[5])(C[5]C[5]CH){2|C<4>,3|H<1>,5|C<3>}	122.2750	2.252	4	122.2750	5.073	4	123.6103	3.503	18	123.6103	3.503	18	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[5])(C[5]C[5]CH)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[5])(C[5]C[5]CH)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[5])(C[5]C[5]CH){2|C<4>,3|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)(H){1|C<4>,3|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[5])(C[5]C[5]CH){2|C<4>,3|H<1>,5|C<3>}	123.1700	2.173	6	123.1700	4.720	6	123.6103	3.503	18	123.6103	3.503	18	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:4:4:4:	3:3:2:	C[5,6a]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-3:C[5]-3:S[5]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(C[5]C[5]CC)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)2	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]O)(S[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(C[5]C[5]CC){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)2{1|S<2>,3|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]O)(S[5]C[5,6a]){3|C<4>,4|C<3>}	126.7965	0.616	2	126.7965	0.379	2	126.7965	0.379	2	126.7965	0.379	2	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:4:4:4:	3:3:3:	C[5,6a]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-3:C[5]-3:S[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(C[5]C[5]CC)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)2	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]O)(S[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(C[5]C[5]CC){1|O<2>,2|H<1>,2|O<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)2{1|S<3>,3|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]O)(S[5]C[5,6a]O){3|C<4>,4|C<3>}	128.0213	2.295	3	128.0213	5.266	3	128.0213	5.266	3	128.0213	5.266	3	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:4:4:4:	3:3:4:	C[5,6a]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-4:C-4:C-4:	C[5,6a]-3:C[5]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]CC)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]CC){3|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)2{1|C<4>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]CC){3|C<4>,3|H<1>,4|C<3>}	128.4893	1.398	16	128.4893	1.955	16	128.4893	1.955	16	128.4893	1.955	16	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:4:4:4:	3:4:2:	N[5]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-3:C[5]-4:O[5]-2:	C[5](N[5]C[6a]C[5])(C[5]C[5]O[5])(C[5]C[5]CC)	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(CH3)2	C[5](C[5]C[5]N[5])(C[5]C[5]CC)(O[5]C[5,5])	C[5](N[5]C[6a]C[5])(C[5]C[5]O[5])(C[5]C[5]CC){2|H<1>,3|C<3>,5|C<4>}	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(CH3)2{1|C<3>,1|O<2>,3|C<4>}	C[5](C[5]C[5]N[5])(C[5]C[5]CC)(O[5]C[5,5]){1|C<3>,1|N<3>,1|O<1>,5|C<4>}	123.5230	0.000	1	123.5230	0.000	1	123.5230	0.000	1	123.5230	0.000	1	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	4:3:1:1:	3:3:2:	C[5]-3:C[5]-3:C[5]-4:	C[5]-4:C[5]-3:F-1:F-1:	C[5]-3:C[5]-3:S[5]-2:	C[5](C[5]C[5a]C[5])(C[5]C[5]S[5])(C[5]C[5]FF)	C[5](C[5]C[5]FF)(C[5]C[5]2)(F)2	C[5](C[5]C[5]2)(C[5]N[5]C)(S[5]C[5])	C[5](C[5]C[5a]C[5])(C[5]C[5]S[5])(C[5]C[5]FF){1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|F<1>}	C[5](C[5]C[5]FF)(C[5]C[5]2)(F)2{1|S<2>,2|C<3>,2|F<1>}	C[5](C[5]C[5]2)(C[5]N[5]C)(S[5]C[5]){1|Mn<6>,2|C<3>,2|C<4>,2|F<1>}	120.6070	0.000	1	120.6070	0.000	1	120.2240	0.293	2	119.7578	0.390	4	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	4:3:1:1:	3:3:2:	C[5]-3:C[5]-3:C[5]-4:	C[5]-4:C[5]-3:F-1:F-1:	C[5]-3:C[5]-3:S[5]-2:	C[5](C[5]C[5a]C[5])(C[5]C[5]S[5])(C[5]C[5]FF)	C[5](C[5]C[5]FF)(C[5]C[5]2)(F)2	C[5](C[5]C[5]2)(C[5]S[5]C)(S[5]C[5])	C[5](C[5]C[5a]C[5])(C[5]C[5]S[5])(C[5]C[5]FF){1|C<4>,1|N<2>,1|S<2>,2|C<3>,4|F<1>}	C[5](C[5]C[5]FF)(C[5]C[5]2)(F)2{1|S<2>,2|C<3>,2|F<1>}	C[5](C[5]C[5]2)(C[5]S[5]C)(S[5]C[5]){2|C<3>,2|C<4>,2|F<1>}	119.8410	0.000	1	119.8410	0.000	1	120.2240	0.293	2	119.7578	0.390	4	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	4:3:1:1:	3:3:2:	C[5]-3:C[5]-3:C[5]-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:N[5]-2:	C[5](C[5]C[5a]C[5])(C[5]C[5]N[5])(C[5]C[5]HH)	C[5](C[5]C[5]HH)(C[5]C[5]2)(H)2	C[5](C[5]C[5]2)(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[5a]C[5])(C[5]C[5]N[5])(C[5]C[5]HH){1|N<3>,3|C<3>,5|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(H)2{1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]2)(C[5]C[5]H)(N[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	119.2915	0.077	2	119.2915	0.006	2	119.2915	0.006	2	119.7578	0.390	4	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	4:3:2:1:	3:3:3:	C[5]-3:C[5]-3:C[5]-4:	C[5]-4:C[5]-3:O-2:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5]C[6a]N[5])(C[5]C[5,6a]2)(C[5]C[5]HO)	C[5](C[5]N[5]CC)(C[5]C[5]2)(OC)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]2)	C[5](C[5]C[6a]N[5])(C[5]C[5,6a]2)(C[5]C[5]HO){3|C<4>,6|C<3>}	C[5](C[5]N[5]CC)(C[5]C[5]2)(OC)(H){1|C<4>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]2){1|C<4>,1|N<3>,1|O<2>,3|H<1>,5|C<3>}	125.1190	0.000	1	125.1190	0.000	1	125.1190	0.000	1	125.1190	0.000	1	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:2:	3:3:4:4:	3:3:4:	C[5]-3:C[5]-4:O[5]-2:	C[5]-3:C[5]-3:C-4:C-4:	N[5]-3:C[5]-3:C[5]-4:	C[5](C[5]C[5]N[5])(C[5]C[5]CC)(O[5]C[5,5])	C[5](C[5]C[5]O[5])(C[5]C[5,5]O)(CH3)2	C[5](N[5]C[6a]C[5])(C[5]C[5]O[5])(C[5]C[5]CC)	C[5](C[5]C[5]N[5])(C[5]C[5]CC)(O[5]C[5,5]){1|C<3>,1|N<3>,1|O<1>,5|C<4>}	C[5](C[5]C[5]O[5])(C[5]C[5,5]O)(CH3)2{2|C<4>,2|N<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]O[5])(C[5]C[5]CC){2|H<1>,3|C<3>,5|C<4>}	134.7030	0.000	1	134.7030	0.000	1	134.7030	0.000	1	134.7030	0.000	1	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:2:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-4:N[5]-2:	C[5]-3:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5]-3:C[5]-4:	C[5](C[5]C[5,5a]C[5])(C[5]C[5]HH)(N[5]C[5])	C[5](C[5]C[5]N[5])(C[5]C[5]CC)(H)2	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]N[5])(C[5]C[5]CH)	C[5](C[5]C[5,5a]C[5])(C[5]C[5]HH)(N[5]C[5]){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5](C[5]C[5]N[5])(C[5]C[5]CC)(H)2{1|C<4>,2|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]N[5])(C[5]C[5]CH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	126.3570	0.000	1	126.3570	0.000	1	126.3557	0.070	3	126.3557	0.070	3	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:2:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-4:N[5]-2:	C[5]-3:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5]-3:C[5]-4:	C[5](C[5]C[5,5a]C[5])(C[5]C[5]HH)(N[5]C[5])	C[5](C[5]C[5]N[5])(C[5]C[5]CC)(H)2	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]N[5])(C[5]C[5]HH)	C[5](C[5]C[5,5a]C[5])(C[5]C[5]HH)(N[5]C[5]){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5]N[5])(C[5]C[5]CC)(H)2{1|C<4>,2|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]N[5])(C[5]C[5]HH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	126.3550	0.375	2	126.3550	0.140	2	126.3557	0.070	3	126.3557	0.070	3	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:2:	3:4:1:1:	4:3:3:	C[5]-3:C[5]-4:O[5]-2:	C[5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-3:C[5]-3:	C[5](C[5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5])	C[5](C[5]C[5]O[5])(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O[5])(C[5]C[5]O)	C[5](C[5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5]){1|O<1>,4|C<4>,4|H<1>}	C[5](C[5]C[5]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O[5])(C[5]C[5]O){1|O<2>,3|C<4>,7|H<1>}	129.6710	2.684	2	129.6710	7.205	2	129.6710	7.205	2	129.6710	7.205	2	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:2:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-4:N[5]-2:	C[5]-3:C[5]-4:C-4:H-1:	C[5,5a]-3:C[5]-3:C[5]-4:	C[5](C[5]C[5,5a]C[5])(C[5]C[5]CH)(N[5]C[5])	C[5](C[5]C[5]N[5])(C[5]C[5]CH)(CCHH)(H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]N[5])(C[5]C[5]CH)	C[5](C[5]C[5,5a]C[5])(C[5]C[5]CH)(N[5]C[5]){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[5]C[5]N[5])(C[5]C[5]CH)(CCHH)(H){1|C<4>,2|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]N[5])(C[5]C[5]CH){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	126.2405	0.745	2	126.2405	0.554	2	126.1472	0.513	4	126.1472	0.513	4	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:2:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-4:N[5]-2:	C[5]-3:C[5]-4:C-4:H-1:	C[5,5a]-3:C[5]-3:C[5]-4:	C[5](C[5]C[5,5a]C[5])(C[5]C[5]CH)(N[5]C[5])	C[5](C[5]C[5]N[5])(C[5]C[5]CH)(CCHH)(H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]N[5])(C[5]C[5]HH)	C[5](C[5]C[5,5a]C[5])(C[5]C[5]CH)(N[5]C[5]){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5]N[5])(C[5]C[5]CH)(CCHH)(H){1|C<4>,2|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]N[5])(C[5]C[5]HH){2|C<4>,3|C<3>,4|H<1>}	126.0540	0.974	2	126.0540	0.949	2	126.1472	0.513	4	126.1472	0.513	4	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:2:2:4:	3:2:1:	C[5,6,6]-3:C[5]-4:C[5]-3:	C[5]-3:S[5]-2:S[5]-2:C-4:	C[5]-3:O[5]-2:O-1:	C[5](C[5,6,6]C[5,3x6]O[6,6])(C[5]S[5]2C)(C[5]O[5]O)	C[5](C[5]C[5,6,6]C[5])(S[5]C[5])2(CCCH)	C[5](C[5]C[5,6,6]C[5])(O[5]C[5,3x6])(O)	C[5](C[5,6,6]C[5,3x6]O[6,6])(C[5]S[5]2C)(C[5]O[5]O){5|C<4>}	C[5](C[5]C[5,6,6]C[5])(S[5]C[5])2(CCCH){1|C<4>,1|O<1>,2|O<2>,4|H<1>}	C[5](C[5]C[5,6,6]C[5])(O[5]C[5,3x6])(O){1|O<2>,2|S<2>,3|C<4>}	119.4850	0.000	1	119.4850	0.000	1	119.4850	0.000	1	119.4850	0.000	1	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:3:1:1:	3:4:3:	C[5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]C[5]2)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6a]O){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]C[5]2){1|O<1>,4|C<3>,5|H<1>}	128.3780	0.175	4	128.3780	0.031	4	128.3780	0.031	4	128.3780	0.031	4	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:3:1:1:	4:3:2:	C[5]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:O[5]-2:	C[5](C[5]C[5]O[5])(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5]C[5]2)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]2)(O[5]C[5])	C[5](C[5]C[5]O[5])(C[5]C[5]HH)(C[5]N[5]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5]2)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(O[5]C[5]){1|C<3>,1|N<3>,1|O<1>,6|H<1>}	127.5090	0.000	1	127.5090	0.000	1	127.5090	0.000	1	127.5090	0.000	1	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:3:3:1:	3:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-3:N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]2H)(C[5]C[5]H)	C[5](C[5]C[5,6a]C[5])(N[5]C[5]C)2(H)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]2H)(C[5]C[5]H){2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5])(N[5]C[5]C)2(H){1|H<1>,2|C<4>,3|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	127.8260	0.000	1	127.8260	0.000	1	127.8260	0.000	1	127.8260	0.000	1	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:3:3:4:	3:3:3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(C[5]C[5,6a]2)	C[5](C[5]C[5,6a]C[5])2(C[6a]C[6a]2)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(C[5]C[5,6a]2){1|H<1>,9|C<3>}	C[5](C[5]C[5,6a]C[5])2(C[6a]C[6a]2)(CCHH){2|H<1>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]C[5]){1|C<4>,2|H<1>,8|C<3>}	128.1165	1.498	2	128.1165	2.245	2	128.6390	0.839	6	128.6390	0.839	6	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:3:3:4:	3:3:3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(C[5]C[5,6a]2)	C[5](C[5]C[5,6a]C[5])2(C[6a]C[6a]2)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(C[5]C[5,6a]2){1|H<1>,9|C<3>}	C[5](C[5]C[5,6a]C[5])2(C[6a]C[6a]2)(CH3){2|H<1>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]C[5]){1|C<4>,2|H<1>,8|C<3>}	128.9002	0.614	4	128.9002	0.377	4	128.6390	0.839	6	128.6390	0.839	6	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:3:4:1:	3:2:1:	N[5,6a]-3:C[5]-4:C[5]-3:	N[5,6]-3:C[5]-3:C[5]-4:H-1:	C[5]-3:S[5]-2:H-1:	C[5](N[5,6a]C[6a,6a]C[5,6a])(C[5]N[5,6]C[5]H)(C[5]S[5]H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5,6a]C[5])(C[5]S[5]HH)(H)	C[5](C[5]N[5,6a]C[5])(S[5]C[5,6a])(H)	C[5](N[5,6a]C[6a,6a]C[5,6a])(C[5]N[5,6]C[5]H)(C[5]S[5]H){1|S<2>,2|H<1>,5|C<3>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5,6a]C[5])(C[5]S[5]HH)(H){1|H<1>,1|S<2>,5|C<3>}	C[5](C[5]N[5,6a]C[5])(S[5]C[5,6a])(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	122.4565	0.392	2	122.4565	0.154	2	122.4565	0.154	2	122.4565	0.154	2	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:3:4:4:	4:3:3:	C[5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CH3)2	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[6a])(C[5]C[5]2)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[5]C[5]2){1|H<1>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CH3)2{1|C<4>,1|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[6a])(C[5]C[5]2){2|C<4>,9|C<3>}	124.5920	0.000	1	124.5920	0.000	1	124.5920	0.000	1	124.5920	0.000	1	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:4:1:1:	3:3:3:	C[5]-3:C[5]-4:N[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5,6a]C[5])(C[5]C[5]HH)(N[5]C[5]C)	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(C[5]C[5]O)	C[5](C[5]C[5,6a]C[5])(C[5]C[5]HH)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(C[5]C[5]O){1|O<2>,2|C<3>,2|H<1>,5|C<4>}	124.9965	0.052	2	124.9965	0.003	2	124.9965	0.003	2	124.9965	0.003	2	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]C[5]2)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H)2	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]C[5]2){1|O<1>,4|C<3>,5|H<1>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H)2{1|C<4>,3|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6a]O){1|C<4>,2|H<1>,4|C<3>}	124.1737	0.251	4	124.1737	0.063	4	124.1737	0.063	4	124.1737	0.063	4	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:4:1:1:	3:4:4:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]C[5]2)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H)2	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]C[5]2){4|C<3>,7|H<1>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H)2{2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)2{1|C<4>,2|H<1>,4|C<3>}	122.8330	0.000	1	122.8330	0.000	1	122.8330	0.000	1	122.8330	0.000	1	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:4:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]H)(C[5]C[5,6a]2)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]H)(C[5]C[5,6a]2){2|H<1>,9|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]C[5]){1|C<4>,3|H<1>,7|C<3>}	122.6355	0.217	2	122.6355	0.047	2	122.6355	0.047	2	122.6355	0.047	2	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-4:N[5]-3:	C[5]-3:C[5]-4:C-4:H-1:	C[5,5a]-3:C[5]-3:C[5]-4:	C[5](C[5]C[5,5a]C[5])(C[5]C[5]CH)(N[5]C[5]Ni)	C[5](C[5]C[5]N[5])(C[5]C[5]CH)(CCHH)(H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]N[5])(C[5]C[5]HH)	C[5](C[5]C[5,5a]C[5])(C[5]C[5]CH)(N[5]C[5]Ni){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5]N[5])(C[5]C[5]CH)(CCHH)(H){1|Ni<4>,1|C<3>,1|C<4>,1|O<1>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]N[5])(C[5]C[5]HH){1|Ni<4>,1|H<1>,1|O<1>,2|C<4>,3|C<3>}	128.2305	2.583	2	128.2305	6.672	2	128.2305	6.672	2	128.2305	6.672	2	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:4:4:4:	3:4:1:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:C[5]-4:C[5]-4:	C[5]-3:C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]3)(C[5]C[5]H)	C[5](C[5]C[5,6a]C[5])(C[5]C[5]2Mo)(C[5]C[5]HH)2	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]3)(C[5]C[5]H){1|Mo<8>,2|C<3>,4|C<4>,7|H<1>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5]2Mo)(C[5]C[5]HH)2{2|C<3>,3|C<4>,7|H<1>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H){2|C<3>,3|C<4>}	127.1240	0.000	1	127.1240	0.000	1	127.1240	0.000	1	127.1240	0.000	1	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:4:4:4:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-3:C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]2)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)2	C[5](C[5]C[5,6a]C[5])(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)2{1|C<4>,3|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5]HH)(C[5]N[5]O){2|C<3>,3|C<4>,3|H<1>}	128.1955	0.791	2	128.0933	0.344	3	128.0933	0.344	3	130.3951	3.211	9	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:4:4:4:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-3:C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]2)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)2	C[5](C[5]C[5,6a]C[5])(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)2{1|C<4>,3|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5]HH)(C[5]N[5]O){2|H<1>,3|C<3>,3|C<4>}	127.8890	0.000	1	128.0933	0.344	3	128.0933	0.344	3	130.3951	3.211	9	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:4:4:4:	3:4:3:	C[5]-3:C[5]-4:N[5]-3:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-3:C[5]-4:N[5]-3:	C[5](C[5]C[5]N[5])(C[5]C[5]CC)(N[5]C[5]C)	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(CH3)2	C[5](C[5]C[5]N[5])(C[5]C[5]CC)(N[5]C[5]C)	C[5](C[5]C[5]N[5])(C[5]C[5]CC)(N[5]C[5]C){2|H<1>,7|C<4>}	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(CH3)2{1|N<3>,4|C<4>}	C[5](C[5]C[5]N[5])(C[5]C[5]CC)(N[5]C[5]C){2|H<1>,7|C<4>}	131.5460	0.482	6	131.5460	0.232	6	131.5460	0.232	6	130.3951	3.211	9	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	4:3:1:1:	3:3:2:	C[5]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:N[5]-2:	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5]C[5]HH)(C[5]C[5]2)(H)2	C[5](C[5]C[5]2)(C[5]C[5]O)(N[5]N[5])	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(C[5]C[5]H){1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(H)2{1|C<3>,1|N<2>,3|H<1>}	C[5](C[5]C[5]2)(C[5]C[5]O)(N[5]N[5]){2|C<3>,2|C<4>,4|H<1>}	122.1710	0.000	1	122.1710	0.000	1	122.1710	0.000	1	122.1710	0.000	1	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	4:3:1:1:	3:3:3:	C[5]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5]C[5,6a]2)(C[5]C[5]HH)(C[5]N[5]H)	C[5](C[5]N[5]HH)(C[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]2)	C[5](C[5]C[5,6a]2)(C[5]C[5]HH)(C[5]N[5]H){2|H<1>,4|C<3>}	C[5](C[5]N[5]HH)(C[5]C[5]2)(H)2{1|H<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]2){1|C<4>,1|N<2>,4|C<3>,5|H<1>}	129.5720	0.000	1	129.5720	0.000	1	129.5720	0.000	1	129.5720	0.000	1	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	4:3:1:1:	3:4:3:	C[5]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[5,6a]C[5])(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5]N[5]HH)(C[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]2)	C[5](C[5]C[5,6a]C[5])(C[5]C[5]HH)(C[5]N[5]O){2|C<3>,3|C<4>,3|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]2)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	126.0655	0.214	2	126.1377	0.039	3	126.1377	0.039	3	126.1377	0.039	3	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	4:3:1:1:	3:4:3:	C[5]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[5,6a]C[5])(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5]N[5]HH)(C[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]2)	C[5](C[5]C[5,6a]C[5])(C[5]C[5]HH)(C[5]N[5]O){2|H<1>,3|C<3>,3|C<4>}	C[5](C[5]N[5]HH)(C[5]C[5]2)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	126.2820	0.000	1	126.1377	0.039	3	126.1377	0.039	3	126.1377	0.039	3	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	4:3:1:1:	4:2:3:	C[5]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:O[5]-2:C[5]-3:	C[5](C[5]C[5]O[5])(C[5]C[5]HH)(C[5]O[5]O)	C[5](C[5]O[5]HH)(C[5]C[5]2)(H)2	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(C[5]C[5]2)	C[5](C[5]C[5]O[5])(C[5]C[5]HH)(C[5]O[5]O){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]2)(H)2{1|C<4>,1|O<1>,1|O<2>}	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	127.5225	0.293	2	127.5225	0.086	2	127.5225	0.086	2	127.5225	0.086	2	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	4:3:1:1:	4:3:3:	C[5]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(C[5]C[5]2)	C[5](C[5]C[5]HH)(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]2)(C[5]C[5]C)	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(C[5]C[5]2){1|C<3>,1|S<2>,3|C<4>,6|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(C[5]C[5]C){1|C<3>,2|C<4>,6|H<1>}	125.1850	0.000	1	125.1850	0.000	1	125.1850	0.000	1	125.1850	0.000	1	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	4:3:3:1:	3:3:2:	C[5]-3:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:N[5]-2:	C[5](C[5]C[5,6a]N[5])(C[5]C[6a]C[5]H)(C[5]N[5]H)	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(N[5]S[5])	C[5](C[5]C[5,6a]N[5])(C[5]C[6a]C[5]H)(C[5]N[5]H){1|H<1>,1|S<4>,6|C<3>}	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(C[5]C[5]2)(H){1|N<2>,4|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(N[5]S[5]){1|C<4>,1|N<3>,2|O<1>,3|C<3>,3|H<1>}	123.6000	0.000	1	123.6000	0.000	1	123.6000	0.000	1	123.6000	0.000	1	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:4:	3:3:1:1:	3:4:3:	C[5]-3:C[5]-4:C[5]-4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]C[5]2)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]C[5]2){4|C<3>,7|H<1>}	125.6840	3.233	2	125.6840	10.452	2	125.6840	10.452	2	125.6840	10.452	2	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:4:	3:3:3:2:	3:3:2:	C[5]-3:C[5]-4:C[5]-4:	C[5]-3:C[6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-3:O[5]-2:	C[5](C[5]C[5,6a]O[5])(C[5]C[6a]C[5]O)2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]2)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O[5]C[5])	C[5](C[5]C[5,6a]O[5])(C[5]C[6a]C[5]O)2{9|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]2)(OH){2|H<1>,2|O<2>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O[5]C[5]){1|H<1>,1|O<1>,2|O<2>,6|C<3>}	124.5350	0.949	2	124.5350	0.900	2	124.5350	0.900	2	124.5350	0.900	2	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:2:3:	3:3:4:1:	3:4:3:	C[5]-4:O[5]-2:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-3:C[5]-4:C[5]-3:	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5])(CCHH)(H)	C[5](C[5]C[5]O[5])(C[5]C[5]HH)(C[5]O[5]O)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5])(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[5]O[5])(C[5]C[5]HH)(C[5]O[5]O){1|C<4>,2|C<3>,3|H<1>}	130.8500	0.728	2	130.8500	0.530	2	130.8500	0.530	2	130.8500	0.530	2	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:2:3:	4:3:4:1:	3:3:2:	C[5]-4:O[5]-2:C[5]-3:	C[5,6,6]-4:C[5]-3:C-4:H-1:	C[5]-3:C[5]-3:O[5]-2:	C[5](C[5]C[5,6,6]CH)(O[5]C[5,5,6,6])(C[5]C[5]O[5])	C[5](C[5,6,6]C[5,5,6,6]C[5,6,6]H)(C[5]C[5]O[5])(CH3)(H)	C[5](C[5]C[5]O[5])(C[5]C[5]O)(O[5]C[5])	C[5](C[5]C[5,6,6]CH)(O[5]C[5,5,6,6])(C[5]C[5]O[5]){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[5](C[5,6,6]C[5,5,6,6]C[5,6,6]H)(C[5]C[5]O[5])(CH3)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<2>}	C[5](C[5]C[5]O[5])(C[5]C[5]O)(O[5]C[5]){1|H<1>,1|O<1>,4|C<4>}	129.8490	0.000	1	129.8490	0.000	1	129.8490	0.000	1	129.8490	0.000	1	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	3:3:3:3:	3:3:1:	C[5]-4:C[5]-3:N[5]-2:	C[5,6a]-3:C[5]-3:N[5]-3:C-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]N[5]C)(C[5]C[5,6a]H)(N[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(N[5]C[5]C)(CNO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5](C[5]C[5,6a]N[5]C)(C[5]C[5,6a]H)(N[5]C[5,6a]){1|C<4>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(N[5]C[5]C)(CNO){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|H<1>,1|N<3>,4|C<3>}	128.2050	0.000	1	128.2050	0.000	1	128.2050	0.000	1	128.2050	0.000	1	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	3:3:4:1:	4:3:2:	C[5]-4:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:N[5]-2:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N[5])(N[5]N[5])	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]CC)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N[5])(N[5]N[5])	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N[5])(N[5]N[5]){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]CC)(H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N[5])(N[5]N[5]){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	124.4810	0.516	2	124.4810	0.266	2	124.4810	0.266	2	124.4810	0.266	2	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	3:4:1:1:	3:4:3:	C[5]-4:C[5]-3:O[5]-2:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(C[5]C[5]2)(O[5]C[5])	C[5](C[5]C[5]O[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]O[5])(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5]C[5]HH)(C[5]C[5]2)(O[5]C[5]){1|C<3>,1|N<3>,1|O<1>,6|H<1>}	C[5](C[5]C[5]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]O[5])(C[5]C[5]HH)(C[5]N[5]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	129.6290	0.000	1	129.6290	0.000	1	129.6290	0.000	1	129.6290	0.000	1	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	4:4:3:1:	3:3:3:	C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:N-3:	C[5](C[5]C[5,5]C[5]H)(C[5]C[5]N)(O[5]N[5])	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]C[6a]H)(C[5]C[5]O[5])(H)	C[5](C[5]C[5]O[5])(C[5]N[5]C)(NOO)	C[5](C[5]C[5,5]C[5]H)(C[5]C[5]N)(O[5]N[5]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]C[6a]H)(C[5]C[5]O[5])(H){1|H<1>,1|N<3>,2|C<4>,2|N<2>,6|C<3>}	C[5](C[5]C[5]O[5])(C[5]N[5]C)(NOO){1|H<1>,2|C<4>}	135.0490	0.000	1	135.0490	0.000	1	135.0490	0.000	1	132.5480	12.510	2	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	4:4:3:1:	3:3:3:	C[5]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]C)(O[5]C[5])	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CH)(C[5]C[5]O[5])(H)	C[5](C[5]C[5]O[5])(C[5]C[5]O)(COO)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]C)(O[5]C[5]){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CH)(C[5]C[5]O[5])(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[5](C[5]C[5]O[5])(C[5]C[5]O)(COO){1|C<3>,1|H<1>,3|C<4>}	130.0470	0.000	1	130.0470	0.000	1	130.0470	0.000	1	132.5480	12.510	2	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	2:3:3:1:	4:3:1:	C[5]-4:C[5]-3:C[5]-3:	O[5]-2:C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(C[5]C[5]O)	C[5](O[5]C[5,5])(C[5]C[5]2)(C[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]2)(O)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(C[5]C[5]O){1|C<3>,1|C<4>,5|H<1>}	C[5](O[5]C[5,5])(C[5]C[5]2)(C[5]C[5]H)(H){1|H<1>,1|O<1>,5|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	122.8150	0.000	1	122.8150	0.000	1	122.8150	0.000	1	122.8150	0.000	1	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	2:3:3:1:	4:3:4:	C[5]-4:C[5]-3:C[5]-3:	O[5]-2:C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(C[5]C[5]O)	C[5](O[5]C[5,5])(C[5]C[5]2)(C[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]2)(CC[5]HH)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(C[5]C[5]O){1|C<3>,1|C<4>,5|H<1>}	C[5](O[5]C[5,5])(C[5]C[5]2)(C[5]C[5]H)(H){1|H<1>,1|O<1>,5|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(CC[5]HH){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	127.0640	0.000	1	127.0640	0.000	1	127.0640	0.000	1	127.0640	0.000	1	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:1:1:	3:3:3:	C[5]-4:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C[5]-3:	C[5](C[5]N[5]HH)(C[5]C[5]2)(C[5]C[5]H)	C[5](C[5]C[5]2)(N[5]C[5]S)(H)2	C[5](C[5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]N[5]HH)(C[5]C[5]2)(C[5]C[5]H){1|O<1>,1|S<4>,2|H<1>,3|C<4>}	C[5](C[5]C[5]2)(N[5]C[5]S)(H)2{2|C<3>,3|H<1>}	C[5](C[5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){1|C<4>,1|N<3>,7|H<1>}	120.7230	0.000	1	120.7230	0.000	1	120.7230	0.000	1	120.7230	0.000	1	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:2:1:	4:3:3:	C[5]-4:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]2)(C[5]C[5]C)	C[5](C[6a]C[6a]2)(C[5]C[5]2)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]2)(C[5]C[5]C)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]2)(C[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]2)(O[5]C[5])(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]2)(C[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	122.6080	1.206	6	122.6080	1.455	6	122.6080	1.455	6	122.6080	1.455	6	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:2:4:	3:2:1:	C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O[5]-2:C-4:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5,6a]O[5]C)(C[5]C[5]C)(C[5]O[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O[5]C[5])(CH3)	C[5](C[5]C[5]2)(O[5]C[5])(O)	C[5](C[5]C[5,6a]O[5]C)(C[5]C[5]C)(C[5]O[5]O){1|H<1>,1|O<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O[5]C[5])(CH3){1|O<2>,2|C<3>,2|O<1>,3|C<4>}	C[5](C[5]C[5]2)(O[5]C[5])(O){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	120.0410	0.000	1	120.0410	0.000	1	120.0410	0.000	1	120.0410	0.000	1	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:2:4:	3:3:1:	C[5]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:O[5]-2:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]O[5]C)(C[5]C[5]H)(C[5]C[5]O)	C[5](C[5]C[5]2)(C[5]C[5]H)(O[5]C[5])(CH3)	C[5](C[5]C[5]2)(C[5]C[5]O)(H)	C[5](C[5]C[5]O[5]C)(C[5]C[5]H)(C[5]C[5]O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5]2)(C[5]C[5]H)(O[5]C[5])(CH3){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[5](C[5]C[5]2)(C[5]C[5]O)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	128.2840	0.008	2	128.2840	0.000	2	128.2840	0.000	2	128.2840	0.000	2	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:2:4:	4:3:1:	C[5]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:O[5]-2:C-4:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O[5]C)(C[5]C[5]H)(C[5]C[5]O)	C[5](C[5]C[5]2)(C[5]C[5]H)(O[5]C[5])(CH3)	C[5](C[5]C[5]CC)(C[5]C[5]2)(O)	C[5](C[5]C[5]O[5]C)(C[5]C[5]H)(C[5]C[5]O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5]2)(C[5]C[5]H)(O[5]C[5])(CH3){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[5](C[5]C[5]CC)(C[5]C[5]2)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	122.1925	0.030	2	122.1925	0.001	2	122.1925	0.001	2	122.1925	0.001	2	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:2:4:	4:3:4:	C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O[5]-2:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5,6a]O[5]C)(C[5]C[5]C)(C[5]O[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O[5]C[5])(CH3)	C[5](C[5]O[5]HO)(C[5]C[5]2)(CH3)	C[5](C[5]C[5,6a]O[5]C)(C[5]C[5]C)(C[5]O[5]O){1|H<1>,1|O<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O[5]C[5])(CH3){1|O<2>,2|C<3>,2|O<1>,3|C<4>}	C[5](C[5]O[5]HO)(C[5]C[5]2)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	131.8690	0.000	1	131.8690	0.000	1	131.8690	0.000	1	131.8690	0.000	1	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:1:	3:4:3:	C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5]-3:C[5]-4:C[5]-3:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[6a])(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[5]C[5]2)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[6a])(C[5]C[5]2){2|C<4>,9|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(H){1|C<4>,3|H<1>,6|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[5]C[5]2){1|H<1>,8|C<3>}	120.7720	0.000	1	120.7720	0.000	1	120.7720	0.000	1	120.7720	0.000	1	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:1:	4:3:3:	C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[5]C[5]2)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[5]C[5]2){1|H<1>,1|O<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[5]C[5]2){1|H<1>,1|O<1>,7|C<3>}	126.9882	0.598	12	126.9882	0.357	12	126.9882	0.357	12	126.9882	0.357	12	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:1:	4:4:3:	C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]HO)(C[5]C[5]2)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[5]C[5]2){1|H<1>,2|O<2>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]HO)(C[5]C[5]2){1|H<1>,1|O<1>,7|C<3>}	128.1110	0.000	1	128.1110	0.000	1	128.1110	0.000	1	128.1110	0.000	1	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:2:	3:2:3:	C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[5]-3:S-2:	C[5]-3:N[5]-2:N-3:	C[5](C[5]C[5,6a]C[5]S)(C[5]N[5]C)(C[5]N[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]O)(SC)	C[5](C[5]C[5]2)(N[5]N[5])(NCH)	C[5](C[5]C[5,6a]C[5]S)(C[5]N[5]C)(C[5]N[5]N){1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]O)(SC){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[5](C[5]C[5]2)(N[5]N[5])(NCH){1|C<4>,1|S<2>,2|C<3>}	132.3250	0.000	1	132.3250	0.000	1	132.3250	0.000	1	132.3250	0.000	1	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:2:	3:2:4:	C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[5]-3:S-2:	C[5]-3:N[5]-2:C-4:	C[5](C[5]C[5,6a]C[5]S)(C[5]N[5]C)(C[5]N[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]O)(SC)	C[5](C[5]C[5]2)(N[5]N[5])(CH3)	C[5](C[5]C[5,6a]C[5]S)(C[5]N[5]C)(C[5]N[5]N){1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]O)(SC){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[5](C[5]C[5]2)(N[5]N[5])(CH3){1|N<3>,1|S<2>,2|C<3>}	123.4260	0.000	1	123.4260	0.000	1	123.4260	0.000	1	123.4260	0.000	1	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[5]-3:O-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]O)(OH)	C[5](C[5]C[5]2)(C[5]N[5]O)(H)	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5]H)(C[5]N[5]O){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]O)(OH){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5]2)(C[5]N[5]O)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	128.4900	0.000	1	128.4900	0.000	1	128.4900	0.000	1	125.7570	14.939	2	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[5]-3:O-2:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]O)(OH)	C[5](C[5]C[5]2)(N[5]C[5]C)(O)	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5]H)(C[5]N[5]O){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]O)(OH){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5]2)(N[5]C[5]C)(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	123.0240	0.000	1	123.0240	0.000	1	123.0240	0.000	1	125.7570	14.939	2	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:2:	4:3:1:	C[5]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C[5]-3:O-2:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]2O)(C[5]C[5]N)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)2(C[5]C[5]2)(OH)	C[5](C[5]C[5]HH)(C[5]C[5]2)(O)	C[5](C[5]C[5]2O)(C[5]C[5]N)(C[5]C[5]O){2|C<3>,2|O<1>,4|H<1>}	C[5](C[5]C[5,6a]O)2(C[5]C[5]2)(OH){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(O){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	125.5020	0.000	1	125.5020	0.000	1	125.5020	0.000	1	125.5020	0.000	1	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:2:	4:3:3:	C[5]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C[5]-3:O-2:	C[5]-4:C[5]-3:N-3:	C[5](C[5]C[5]2O)(C[5]C[5]N)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)2(C[5]C[5]2)(OH)	C[5](C[5]C[5]HH)(C[5]C[5]2)(NC[6]H)	C[5](C[5]C[5]2O)(C[5]C[5]N)(C[5]C[5]O){2|C<3>,2|O<1>,4|H<1>}	C[5](C[5]C[5,6a]O)2(C[5]C[5]2)(OH){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(NC[6]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	124.6060	0.000	1	124.6060	0.000	1	124.6060	0.000	1	124.6060	0.000	1	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:3:	3:2:1:	C[5]-4:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[5a]-3:C[5]-3:	C[5]-3:N[5]-2:H-1:	C[5](C[5]C[5,6a]C[5a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5a]C[5a]O[5a])(C[5]N[5]O)	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a])(H)	C[5](C[5]C[5,6a]C[5a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5a]C[5a]O[5a])(C[5]N[5]O){1|C<4>,1|N<2>,3|H<1>,6|C<3>}	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a])(H){5|C<3>}	126.8970	0.000	1	126.8970	0.000	1	126.8970	0.000	1	126.8970	0.000	1	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[5]-3:N-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C[5]N)(C[5]C[5]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]O)(NCH)	C[5](C[5]C[5]2)(C[5]N[5]O)(H)	C[5](C[5]C[5,6a]C[5]N)(C[5]C[5]H)(C[5]N[5]O){1|N<3>,2|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]O)(NCH){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5]2)(C[5]N[5]O)(H){1|N<3>,1|O<1>,3|C<3>}	130.8950	0.000	1	130.8950	0.000	1	130.8950	0.000	1	125.7955	52.010	2	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[5]-3:N-3:	N[5]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]C[5]N)(C[5]C[5]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]O)(NCH)	C[5](N[5]C[6a]C[5])(C[5]C[5]2)(O)	C[5](C[5]C[5,6a]C[5]N)(C[5]C[5]H)(C[5]N[5]O){1|N<3>,2|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]O)(NCH){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]2)(O){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	120.6960	0.000	1	120.6960	0.000	1	120.6960	0.000	1	125.7955	52.010	2	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5,6a]O)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]O)(CN[6]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O)	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5,6a]O)2{1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]O)(CN[6]CH){2|H<1>,2|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	124.8360	2.424	2	124.8360	5.876	2	124.8360	5.876	2	124.8360	5.876	2	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:4:	3:3:3:	C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5,6a]C[5a]C)(C[5]C[5,6a]C[5])(N[5]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(C[5]N[5]O)	C[5](C[5]C[5,6a]C[5a]C)(C[5]C[5,6a]C[5])(N[5]C[5,6a]H){1|N<3>,1|O<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(CH3){1|N<3>,3|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(C[5]N[5]O){2|C<4>,2|H<1>,5|C<3>}	130.0200	0.000	1	130.0200	0.000	1	130.0200	0.000	1	130.0200	0.000	1	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:4:3:1:	3:3:2:	C[5]-4:C[5]-3:C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:O[5]-2:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O[5])(C[5]N[5]H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]2)(H)	C[5](C[5]C[5]2)(C[5]C[5]N)(O[5]N[5])	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O[5])(C[5]N[5]H){1|N<3>,1|N<4>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]2)(H){1|O<2>,3|C<3>,4|H<1>}	C[5](C[5]C[5]2)(C[5]C[5]N)(O[5]N[5]){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	121.9050	0.000	1	121.9050	0.000	1	121.9050	0.000	1	121.9050	0.000	1	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:4:3:1:	4:3:1:	C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:N[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5,6a]N[5]H)(C[5]C[5]O)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(C[5]C[5]2)(H)	C[5](C[5]C[5]HH)(C[5]C[5]2)(O)	C[5](C[5]C[5,6a]N[5]H)(C[5]C[5]O)2{2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(C[5]C[5]2)(H){1|H<1>,2|C<4>,2|O<1>,3|C<3>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(O){1|C<3>,1|N<4>,1|O<1>,3|H<1>}	124.4515	3.075	4	124.4515	9.453	4	124.4515	9.453	4	124.4515	9.453	4	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:4:3:3:	3:3:1:	C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5,6a]O)2	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]N[6]H)(C[5]C[5]2)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O)	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5,6a]O)2{1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]N[6]H)(C[5]C[5]2)(C[5]N[5]O){2|H<1>,2|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	124.8270	2.099	2	124.8270	4.405	2	124.8270	4.405	2	124.8270	4.405	2	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:4:4:4:	3:3:3:	C[5]-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-3:N[5]-3:N[5]-3:	C[5](C[5]C[5]CC)(C[5]N[5]2)(N[5]C[5]C)	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(CH3)2	C[5](C[5]C[5]N[5])(N[5]C[5]C)2	C[5](C[5]C[5]CC)(C[5]N[5]2)(N[5]C[5]C){2|C<3>,2|H<1>,4|C<4>}	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(CH3)2{2|N<3>,3|C<4>}	C[5](C[5]C[5]N[5])(N[5]C[5]C)2{7|C<4>}	123.5412	3.798	5	123.5412	14.428	5	123.5412	14.428	5	123.5412	14.428	5	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	3:4:3:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(C[5]C[5]2)(C[5]C[5]C)	C[5](C[5]C[5]HH)(C[5]C[5]2)(H)2	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(C[5]C[5]2)	C[5](C[5]C[5]HH)(C[5]C[5]2)(C[5]C[5]C){1|C<3>,2|C<4>,6|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(C[5]C[5]2){1|C<3>,1|S<2>,3|C<4>,6|H<1>}	126.5920	0.000	1	126.5920	0.000	1	126.5920	0.000	1	126.5920	0.000	1	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:2:1:	3:3:4:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)2	C[5](C[5]C[5]CH)(C[5]C[5]2)(O[5]C[5])(H)	C[5](C[5]C[5]2)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]2)(O[5]C[5])(H){1|O<1>,2|C<4>,3|C<3>}	C[5](C[5]C[5]2)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	127.7530	0.000	1	127.7530	0.000	1	127.7530	0.000	1	127.7530	0.000	1	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:2:1:	4:3:1:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[5]CH)(C[5]C[5]2)(O[5]C[5])(H)	C[5](C[5]C[5]HH)(C[5]C[5]2)(O)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(C[5]C[5]O){1|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]2)(O[5]C[5])(H){2|H<1>,2|O<1>,3|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(O){1|O<2>,2|C<4>,3|H<1>}	123.8860	0.000	1	123.8860	0.000	1	123.8860	0.000	1	123.8860	0.000	1	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:2:1:	4:3:3:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)2	C[5](C[5]C[5]CH)(C[5]C[5]2)(O[5]C[5])(H)	C[5](C[5]C[5]HH)(C[5]C[5]2)(CCH)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]2)(O[5]C[5])(H){1|O<1>,2|C<4>,3|C<3>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(CCH){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	120.5750	0.000	1	120.5750	0.000	1	120.5750	0.000	1	120.5750	0.000	1	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:2:1:	4:3:4:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[5]CH)(C[5]C[5]2)(O[5]C[5])(H)	C[5](C[5]C[5]HH)(C[5]C[5]2)(CH3)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(C[5]C[5]O){1|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]2)(O[5]C[5])(H){2|H<1>,2|O<1>,3|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(CH3){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	126.3680	0.000	1	126.3680	0.000	1	126.3680	0.000	1	126.3680	0.000	1	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:3:1:	3:2:2:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:C[5]-3:H-1:	C[5]-3:O[5]-2:O-2:	C[5](C[5]C[5]2H)(C[5]C[5]O)(C[5]O[5]O)	C[5](C[5]C[5]HH)(C[5]C[5]2)(C[5]N[5]O)(H)	C[5](C[5]C[5]2)(O[5]C[5])(OC)	C[5](C[5]C[5]2H)(C[5]C[5]O)(C[5]O[5]O){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(C[5]N[5]O)(H){1|C<3>,1|C<4>,2|O<1>,2|O<2>}	C[5](C[5]C[5]2)(O[5]C[5])(OC){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	124.6500	0.000	1	124.6500	0.000	1	124.6500	0.000	1	124.6500	0.000	1	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]C[5,5]H)(C[5]C[5,6a]N)(C[5]C[5,6a]O)	C[5](C[5,5]C[5,6a]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O)	C[5](C[5]C[5,6a]C[5,5]H)(C[5]C[5,6a]N)(C[5]C[5,6a]O){1|N<3>,1|O<2>,5|C<3>}	C[5](C[5,5]C[5,6a]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	118.7900	0.358	3	118.7900	0.128	3	118.7900	0.128	3	121.5102	29.684	4	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:N[5]-3:C[5]-3:	C[5,6]-4:N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]C[5,6]N[5]H)(N[5]C[6a]C[5])(C[5]N[5]H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(C[5]C[5]N[5])(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]N[5])(H)	C[5](C[5]C[5,6]N[5]H)(N[5]C[6a]C[5])(C[5]N[5]H){4|C<3>,4|C<4>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(C[5]C[5]N[5])(H){1|C<2>,1|N<3>,3|C<3>,4|C<4>,7|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]N[5])(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	129.6710	0.000	1	129.6710	0.000	1	129.6710	0.000	1	121.5102	29.684	4	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:3:1:	3:3:2:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:N-2:	C[5](C[5]C[5]N[5]H)(C[5]C[5]N)(C[5]N[5]C)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(C[5]C[5]2)(H)	C[5](C[5]C[5]2)(C[5]N[5]O)(NC[6a])	C[5](C[5]C[5]N[5]H)(C[5]C[5]N)(C[5]N[5]C){1|O<1>,1|S<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(C[5]C[5]2)(H){1|N<2>,1|N<3>,4|C<3>}	C[5](C[5]C[5]2)(C[5]N[5]O)(NC[6a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	125.0710	0.000	1	125.0710	0.000	1	125.0710	0.000	1	125.0710	0.000	1	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:3:1:	3:3:3:	C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:N-3:	C[5](C[5]C[5,6a]C[5,5]H)(C[5]C[5,6a]N)(C[5]C[5,6a]O)	C[5](C[5,5]C[5,6a]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(NCH)	C[5](C[5]C[5,6a]C[5,5]H)(C[5]C[5,6a]N)(C[5]C[5,6a]O){1|N<3>,1|O<2>,5|C<3>}	C[5](C[5,5]C[5,6a]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(NCH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	133.3095	0.070	2	133.3095	0.005	2	132.8860	0.541	3	131.4332	8.802	4	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:3:1:	3:3:3:	C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:N-3:	C[5](C[5]C[5,6a]C[5,5]H)(C[5]C[5,6a]N)(C[5]C[5,6a]O)	C[5](C[5,5]C[5,6a]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(NC[6]H)	C[5](C[5]C[5,6a]C[5,5]H)(C[5]C[5,6a]N)(C[5]C[5,6a]O){1|N<3>,1|O<2>,5|C<3>}	C[5](C[5,5]C[5,6a]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(NC[6]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	132.0390	0.000	1	132.0390	0.000	1	132.8860	0.541	3	131.4332	8.802	4	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:3:1:	3:3:3:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]N[5]H)(C[5]C[5]N)(C[5]N[5]C)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(C[5]C[5]2)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]2)(COO)	C[5](C[5]C[5]N[5]H)(C[5]C[5]N)(C[5]N[5]C){1|O<1>,1|S<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(C[5]C[5]2)(H){1|N<2>,1|N<3>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]2)(COO){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	127.0750	0.000	1	127.0750	0.000	1	127.0750	0.000	1	131.4332	8.802	4	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:3:1:	4:3:1:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]2H)(C[5]C[5]O)(C[5]O[5]O)	C[5](C[5]C[5]HH)(C[5]C[5]2)(C[5]N[5]O)(H)	C[5](C[5]O[5]HH)(C[5]C[5]2)(O)	C[5](C[5]C[5]2H)(C[5]C[5]O)(C[5]O[5]O){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(C[5]N[5]O)(H){1|C<3>,1|C<4>,2|O<1>,2|O<2>}	C[5](C[5]O[5]HH)(C[5]C[5]2)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	128.8790	0.000	1	128.8790	0.000	1	128.8790	0.000	1	128.8790	0.000	1	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:4:3:1:	3:2:1:	C[5]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]H)(C[5]O[5]O)	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HH)(C[5]C[5]2)(H)	C[5](C[5]C[5]2)(O[5]C[5])(O)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]H)(C[5]O[5]O){1|O<2>,3|H<1>,4|C<4>}	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HH)(C[5]C[5]2)(H){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[5](C[5]C[5]2)(O[5]C[5])(O){1|O<2>,2|C<4>,3|H<1>}	121.1400	0.000	1	121.2105	0.010	2	121.4360	0.158	3	121.5110	0.128	4	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:4:3:1:	3:2:1:	C[5]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]H)(C[5]O[5]O)	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HH)(C[5]C[5]2)(H)	C[5](C[5]C[5]2)(O[5]C[5])(O)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]H)(C[5]O[5]O){4|C<4>,4|H<1>}	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HH)(C[5]C[5]2)(H){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[5](C[5]C[5]2)(O[5]C[5])(O){2|C<4>,4|H<1>}	121.2810	0.000	1	121.2105	0.010	2	121.4360	0.158	3	121.5110	0.128	4	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:4:3:1:	3:2:1:	C[5]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]H)(C[5]O[5]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]C[5]2)(H)	C[5](C[5]C[5]2)(O[5]C[5])(O)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]H)(C[5]O[5]O){1|O<2>,2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]C[5]2)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[5](C[5]C[5]2)(O[5]C[5])(O){1|O<2>,2|H<1>,3|C<4>}	121.8870	0.000	1	121.8870	0.000	1	121.4360	0.158	3	121.5110	0.128	4	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:4:3:1:	3:2:1:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]2H)(C[5]C[5]H)(C[5]O[5]O)	C[5](C[5]C[5,6]HH)2(C[5]C[5]2)(H)	C[5](C[5]C[5]2)(O[5]C[5])(O)	C[5](C[5]C[5]2H)(C[5]C[5]H)(C[5]O[5]O){2|C<3>,6|H<1>}	C[5](C[5]C[5,6]HH)2(C[5]C[5]2)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]2)(O[5]C[5])(O){2|C<4>,4|H<1>}	121.7360	0.000	1	121.7360	0.000	1	121.7360	0.000	1	121.5110	0.128	4	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:4:3:1:	4:3:1:	C[5]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]H)(C[5]O[5]O)	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HH)(C[5]C[5]2)(H)	C[5](C[5]O[5]HH)(C[5]C[5]2)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]H)(C[5]O[5]O){4|C<4>,4|H<1>}	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HH)(C[5]C[5]2)(H){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]2)(H){1|H<1>,1|O<1>,2|C<4>}	132.6500	0.000	1	132.6500	0.000	1	132.2857	0.114	3	131.9920	0.421	4	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:4:3:1:	4:3:1:	C[5]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]H)(C[5]O[5]O)	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HH)(C[5]C[5]2)(H)	C[5](C[5]O[5]HO)(C[5]C[5]2)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]H)(C[5]O[5]O){1|O<2>,3|H<1>,4|C<4>}	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HH)(C[5]C[5]2)(H){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[5](C[5]O[5]HO)(C[5]C[5]2)(H){1|H<1>,1|O<1>,2|C<4>}	132.2230	0.000	1	132.2230	0.000	1	132.2857	0.114	3	131.9920	0.421	4	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:4:3:1:	4:3:1:	C[5]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]H)(C[5]O[5]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]C[5]2)(H)	C[5](C[5]O[5]CO)(C[5]C[5]2)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]H)(C[5]O[5]O){1|O<2>,2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]C[5]2)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[5](C[5]O[5]CO)(C[5]C[5]2)(H){1|H<1>,1|O<1>,2|C<4>}	131.9840	0.000	1	131.9840	0.000	1	132.2857	0.114	3	131.9920	0.421	4	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:4:3:1:	4:3:1:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]2H)(C[5]C[5]H)(C[5]O[5]O)	C[5](C[5]C[5,6]HH)2(C[5]C[5]2)(H)	C[5](C[5]O[5]HH)(C[5]C[5]2)(H)	C[5](C[5]C[5]2H)(C[5]C[5]H)(C[5]O[5]O){2|C<3>,6|H<1>}	C[5](C[5]C[5,6]HH)2(C[5]C[5]2)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5]O[5]HH)(C[5]C[5]2)(H){1|H<1>,1|O<1>,2|C<4>}	131.1110	0.000	1	131.1110	0.000	1	131.1110	0.000	1	131.9920	0.421	4	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:3:3:	3:3:3:	C[5]-4:C[5]-3:C[5]-4:	C[5,6a]-3:C[5]-3:C[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5,6a]C[5]C)(C[5]C[6a]C[5])(C[5]O[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]C)(CCH)	C[5](C[6a]C[6a]2)(C[5]C[5]2)(C[5]O[5]O)	C[5](C[5]C[5,6a]C[5]C)(C[5]C[6a]C[5])(C[5]O[5]HH){1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]C)(CCH){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]2)(C[5]O[5]O){4|H<1>,5|C<3>}	130.0000	0.000	1	130.0000	0.000	1	130.0000	0.000	1	130.0000	0.000	1	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:4:3:1:	3:3:3:	C[5]-4:C[5]-3:C[5]-4:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5,6a]C[5]H)(C[5]C[6a]C[5])(C[5]O[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]2)(C[5]O[5]O)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[6a]C[5])(C[5]O[5]HH){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]2)(H){1|C<4>,1|O<2>,3|H<1>,6|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]2)(C[5]O[5]O){1|C<4>,3|C<3>,5|H<1>}	126.7770	0.000	1	126.7770	0.000	1	127.5090	1.072	2	127.5090	1.072	2	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:4:3:1:	3:3:3:	C[5]-4:C[5]-3:C[5]-4:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5,6a]C[5]H)(C[5]C[6a]C[5])(C[5]O[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[5]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]2)(C[5]O[5]O)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[6a]C[5])(C[5]O[5]HH){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[5]C[5]2)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]2)(C[5]O[5]O){1|C<4>,3|C<3>,5|H<1>}	128.2410	0.000	1	128.2410	0.000	1	127.5090	1.072	2	127.5090	1.072	2	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:4:3:4:	3:3:1:	C[5]-4:C[5]-3:C[5]-4:	C[5]-4:C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(C[5]C[5]2C)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(C[5]C[5]2)(CC[6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(C[5]C[5]2C){1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(C[5]C[5]2)(CC[6a]HH){3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H){2|C<3>,3|C<4>,3|H<1>}	124.8760	0.000	1	124.8760	0.000	1	124.8760	0.000	1	124.8760	0.000	1	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:4:3:	3:2:1:1:	4:4:3:	C[5]-4:C[5]-4:C[5]-3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(C[5]C[5]2)	C[5](C[5]C[5]2)(O[5]C[5])(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(C[5]C[5]2)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(C[5]C[5]2){1|N<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5]2)(O[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(C[5]C[5]2){1|C<3>,1|C<4>,1|O<2>,1|S<4>,5|H<1>}	125.0660	0.000	1	125.0660	0.000	1	125.0660	0.000	1	125.0660	0.000	1	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:4:3:	3:3:1:1:	4:4:3:	C[5]-4:C[5]-4:C[5]-3:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(C[5]C[5]2)	C[5](C[5]C[5]2)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]HH)(C[5]C[5]2)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(C[5]C[5]2){1|C<3>,1|C<4>,1|O<2>,1|S<4>,5|H<1>}	C[5](C[5]C[5]2)(N[5]C[5]S)(H)2{3|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HH)(C[5]C[5]2){1|N<3>,2|C<4>,5|H<1>}	124.3610	0.000	1	124.3610	0.000	1	124.3610	0.000	1	124.3610	0.000	1	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:4:3:	3:3:2:1:	4:3:3:	C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]HO)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(OH)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[5]C[5]2)	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]HO)(C[5]C[5]2){1|H<1>,1|O<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(OH)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[5]C[5]2){1|H<1>,2|O<2>,7|C<3>}	124.2770	0.000	1	124.2770	0.000	1	124.2770	0.000	1	124.2770	0.000	1	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:4:3:	3:3:2:2:	4:3:1:	C[5]-4:C[5]-4:C[5]-3:	C[5,6]-3:C[5]-3:O[5]-2:O-2:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]O[5]O)(C[5]C[5]CC)(C[5]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2)(O[5]C[5])(OH)	C[5](C[5]C[5]HH)(C[5]C[5]2)(H)	C[5](C[5]C[5,6]O[5]O)(C[5]C[5]CC)(C[5]C[5]H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2)(O[5]C[5])(OH){1|C<3>,1|H<1>,1|O<1>,7|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	125.4640	0.000	1	125.4640	0.000	1	125.4640	0.000	1	125.4640	0.000	1	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:4:3:	3:3:3:2:	4:3:3:	C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]HO)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(OO)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[5]C[5]2)	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]HO)(C[5]C[5]2){1|H<1>,1|O<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(OO){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[5]C[5]2){1|H<1>,2|O<2>,7|C<3>}	125.8510	0.000	1	125.8510	0.000	1	125.8510	0.000	1	125.8510	0.000	1	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:4:3:	3:4:2:1:	3:3:3:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:O[5]-2:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]O[5]H)(C[5]C[6a]C[5])	C[5](C[5]C[5,5,6]C[5])(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5,5,6]C[5])(C[5]C[5,5,6]O)(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]O[5]H)(C[5]C[6a]C[5]){1|O<1>,2|C<3>,4|H<1>,5|C<4>}	C[5](C[5]C[5,5,6]C[5])(C[5]C[5]HH)(O[5]C[5])(H){2|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[5,5,6]C[5])(C[5]C[5,5,6]O)(C[6a]C[6a]2){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	128.9900	0.000	1	128.9900	0.000	1	128.9900	0.000	1	128.9900	0.000	1	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:4:3:	3:4:2:1:	3:3:4:	C[3,5]-4:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:O[5]-2:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[3,5]C[3]C[5]O[3])(C[5]C[5]O[5]H)(C[5]C[5]C)	C[5](C[5]C[3,5]C[5])(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[3,5]C[5])(C[5]C[5]O)(CH3)	C[5](C[3,5]C[3]C[5]O[3])(C[5]C[5]O[5]H)(C[5]C[5]C){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[5](C[5]C[3,5]C[5])(C[5]C[5]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[5](C[5]C[3,5]C[5])(C[5]C[5]O)(CH3){2|C<4>,2|O<2>,3|H<1>}	129.7296	0.358	5	129.7296	0.128	5	129.7296	0.128	5	129.7296	0.128	5	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:4:3:	3:4:3:1:	3:3:1:	C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]C[5]2)(H){4|C<3>,6|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H){1|C<4>,3|C<3>,4|H<1>}	128.1670	0.000	1	128.1670	0.000	1	128.1670	0.000	1	128.1670	0.000	1	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	2:2:3:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:H-1:H-1:	S[5]-2:S[5]-2:C[5]-3:	C[5](C[5]C[5]HH)2(C[5]S[5]2)	C[5](C[5]C[5]HH)(C[5]C[5]2)(H)2	C[5](S[5]C[5,5a])2(C[5]C[5]2)	C[5](C[5]C[5]HH)2(C[5]S[5]2){2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(H)2{2|S<2>,4|H<1>}	C[5](S[5]C[5,5a])2(C[5]C[5]2){2|C<4>,2|S<2>,4|H<1>}	124.9472	0.276	4	124.9472	0.076	4	124.9472	0.076	4	124.9472	0.076	4	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	3:3:3:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5]HH)2(C[5]C[5]2)	C[5](C[5]C[5]HH)(C[5]C[5]2)(H)2	C[5](C[5]C[5]2)(C[5]C[5]C)(C[5]O[5]O)	C[5](C[5]C[5]HH)2(C[5]C[5]2){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(H)2{2|C<3>,4|H<1>}	C[5](C[5]C[5]2)(C[5]C[5]C)(C[5]O[5]O){1|C<3>,2|C<4>,4|H<1>}	125.3475	1.023	2	125.3620	0.550	4	125.3620	0.550	4	125.3620	0.550	4	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	3:3:3:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5]HH)2(C[5]C[5]2)	C[5](C[5]C[5]HH)(C[5]C[5]2)(H)2	C[5](C[5]C[5]2)(C[5]C[5]C)(C[5]O[5]O)	C[5](C[5]C[5]HH)2(C[5]C[5]2){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(H)2{2|C<3>,4|H<1>}	C[5](C[5]C[5]2)(C[5]C[5]C)(C[5]O[5]O){1|O<1>,2|C<4>,4|H<1>}	125.3765	0.776	2	125.3620	0.550	4	125.3620	0.550	4	125.3620	0.550	4	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:2:1:	3:3:4:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]C)	C[5](C[5]C[5]CH)(C[5]C[5]2)(O[5]C[5])(H)	C[5](C[5]C[5]2)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]2)(O[5]C[5])(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[5](C[5]C[5]2)(C[5]C[5]O)(CH3){1|O<2>,2|C<4>,4|H<1>}	125.1680	0.000	1	125.1680	0.000	1	127.3940	9.910	2	127.3940	9.910	2	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:2:1:	3:3:4:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(C[5]C[5]C)	C[5](C[5]C[5]CH)(C[5]C[5]2)(O[5]C[5])(H)	C[5](C[5]C[5]2)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(C[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]2)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[5](C[5]C[5]2)(C[5]C[5]O)(CH3){2|C<4>,2|O<2>,3|H<1>}	129.6200	0.000	1	129.6200	0.000	1	127.3940	9.910	2	127.3940	9.910	2	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:2:1:	4:3:4:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5,5,6]-4:C[5]-3:C-4:	C[5](C[5]C[5,5,6]CH)(C[5]C[5]O[5]H)(C[5]C[5,5,6]C)	C[5](C[5]C[5]CH)(C[5]C[5]2)(O[5]C[5])(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]2)(CH3)	C[5](C[5]C[5,5,6]CH)(C[5]C[5]O[5]H)(C[5]C[5,5,6]C){1|C<3>,3|H<1>,4|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]2)(O[5]C[5])(H){1|O<1>,2|H<1>,5|C<4>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]2)(CH3){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	123.1020	0.000	1	123.1020	0.000	1	123.1020	0.000	1	123.4660	0.135	3	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:2:1:	4:3:4:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]C)	C[5](C[5]C[5]CH)(C[5]C[5]2)(O[5]C[5])(H)	C[5](C[5]C[5]HH)(C[5]C[5]2)(CH3)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]C){1|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]2)(O[5]C[5])(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(CH3){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	123.6480	0.267	2	123.6480	0.071	2	123.6480	0.071	2	123.4660	0.135	3	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:2:4:	3:3:1:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:O[5]-2:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]O[5]C)(C[5]O[5]HH)(C[5]C[5]H)	C[5](C[5]O[5]CH)(C[5]C[5]2)(O[5]C[5])(CCHH)	C[5](C[5]C[5]2)(C[5]O[5]O)(H)	C[5](C[5]C[5]O[5]C)(C[5]O[5]HH)(C[5]C[5]H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5]O[5]CH)(C[5]C[5]2)(O[5]C[5])(CCHH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5]2)(C[5]O[5]O)(H){1|O<2>,2|C<4>,2|H<1>}	130.2460	0.000	1	130.2460	0.000	1	130.2460	0.000	1	130.2460	0.000	1	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:3:1:	3:3:1:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(C[5]N[5]H)	C[5](C[5]C[5]HH)(C[5]C[5]2)(N[5]C[5]C)(H)	C[5](C[5]C[5]2)(N[5]C[5]C)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(C[5]N[5]H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(N[5]C[5]C)(H){1|C<4>,1|N<3>,7|H<1>}	C[5](C[5]C[5]2)(N[5]C[5]C)(H){1|C<4>,1|N<3>,5|H<1>}	128.4870	0.000	1	128.4870	0.000	1	128.4870	0.000	1	128.4870	0.000	1	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:3:1:	4:3:4:	C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5,5]N[5]H)(C[5]C[5]HO)(C[5]C[5]C)	C[5](C[5,5]N[5,5a]C[5,5]H)(C[5]C[5]2)(N[5]N[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]2)(CC[5]HH)	C[5](C[5]C[5,5]N[5]H)(C[5]C[5]HO)(C[5]C[5]C){1|C<3>,1|C<4>,2|N<3>,5|H<1>}	C[5](C[5,5]N[5,5a]C[5,5]H)(C[5]C[5]2)(N[5]N[5]C)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(CC[5]HH){1|C<4>,1|N<3>,1|O<2>,4|H<1>}	129.3880	0.000	1	129.3880	0.000	1	129.3880	0.000	1	128.6798	0.254	4	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:3:1:	4:3:4:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]C)	C[5](C[5]C[5]HH)(C[5]C[5]2)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]2)(CB[5]CH)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]C){2|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(C[5]C[5]C)(H){2|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(CB[5]CH){1|C<4>,3|C<3>,3|H<1>}	128.4437	0.217	3	128.4437	0.047	3	128.4437	0.047	3	128.6798	0.254	4	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:3:1:	4:4:3:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(C[5]C[5]2)	C[5](C[5]O[5]HH)(C[5]C[5]2)(CCC)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(C[5]C[5]2)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(C[5]C[5]2){1|N<3>,2|C<4>,5|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]2)(CCC)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(C[5]C[5]2){1|C<3>,1|C<4>,1|O<2>,1|S<4>,5|H<1>}	127.9310	0.000	1	127.9310	0.000	1	127.9310	0.000	1	127.9310	0.000	1	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	3:3:2:	C[5]-4:C[5]-4:C[5]-3:	C[3,5]-4:C[5]-3:C-4:H-1:	C[5]-3:C[5]-3:O[5]-2:	C[5](C[5]C[3,5]CH)(C[5]C[3,5]CO)(C[5]C[5]O[5])	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]2)(CH3)(H)	C[5](C[5]C[5]2)(C[5]C[5]H)(O[5]C[5])	C[5](C[5]C[3,5]CH)(C[5]C[3,5]CO)(C[5]C[5]O[5]){2|C<3>,2|C<4>,2|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]2)(CH3)(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[5](C[5]C[5]2)(C[5]C[5]H)(O[5]C[5]){1|H<1>,1|O<1>,1|O<2>,5|C<4>}	122.3465	3.415	2	122.3465	11.660	2	122.4595	4.154	4	122.4595	4.154	4	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	3:3:2:	C[5]-4:C[5]-4:C[5]-3:	C[3,5]-4:C[5]-3:C-4:H-1:	C[5]-3:C[5]-3:O[5]-2:	C[5](C[5]C[3,5]CH)2(C[5]C[5]O[5])	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]2)(CH3)(H)	C[5](C[5]C[5]2)(C[5]C[5]H)(O[5]C[5])	C[5](C[5]C[3,5]CH)2(C[5]C[5]O[5]){2|C<3>,2|C<4>,2|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]2)(CH3)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5]2)(C[5]C[5]H)(O[5]C[5]){1|O<1>,2|H<1>,5|C<4>}	122.5725	0.868	2	122.5725	0.753	2	122.4595	4.154	4	122.4595	4.154	4	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	4:4:3:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(C[5]C[5]2)	C[5](C[5]N[5]HH)(C[5]C[5]2)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(C[5]C[5]2)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(C[5]C[5]2){1|C<3>,1|C<4>,1|O<2>,1|S<4>,5|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]2)(CCHH)(H){1|S<4>,2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HH)(C[5]C[5]2){1|N<3>,2|C<4>,5|H<1>}	126.1190	0.000	1	126.1190	0.000	1	126.1190	0.000	1	126.1190	0.000	1	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:4:3:	4:4:3:1:	3:3:1:	C[5]-4:C[5]-4:C[5]-3:	C[5,6]-4:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]H)	C[5](C[5,6]C[6,6]O[5,6]C)(C[5]C[5,6]HH)(C[5]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]H){1|C<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[6,6]O[5,6]C)(C[5]C[5,6]HH)(C[5]C[5]2)(H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	124.6365	0.200	2	124.6365	0.040	2	124.6365	0.040	2	128.5297	5.781	16	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:4:3:	4:4:3:1:	3:3:1:	C[5]-4:C[5]-4:C[5]-3:	C[5,6]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5,6]C[5]H)(C[5]O[5]HH)(C[5]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]C[5]2)(H)	C[5](C[5]C[5]2)(C[5]O[5]O)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]O[5]HH)(C[5]C[5]H){1|O<1>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]C[5]2)(H){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	C[5](C[5]C[5]2)(C[5]O[5]O)(H){2|C<4>,3|H<1>}	129.3339	1.845	13	129.0859	4.003	14	129.0859	4.003	14	128.5297	5.781	16	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:4:3:	4:4:3:1:	3:3:1:	C[5]-4:C[5]-4:C[5]-3:	C[5,6]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5,6]C[5]H)(C[5]O[5]HH)(C[5]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]C[5]2)(H)	C[5](C[5]C[5]2)(C[5]O[5]O)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]O[5]HH)(C[5]C[5]H){1|O<1>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]C[5]2)(H){1|C<3>,2|C<4>,3|O<2>,6|H<1>}	C[5](C[5]C[5]2)(C[5]O[5]O)(H){2|C<4>,3|H<1>}	125.8610	0.000	1	129.0859	4.003	14	129.0859	4.003	14	128.5297	5.781	16	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:4:3:	4:4:3:1:	3:3:2:	C[5]-4:C[5]-4:C[5]-3:	C[3,5]-4:C-4:C[5]-3:H-1:	C[5]-3:C[5]-3:O[5]-2:	C[5](C[5]C[3,5]CH)2(C[5]C[5]O[5])	C[5](C[3,5]C[3,5]C[3]C)(CC[5,5]HH)(C[5]C[5]2)(H)	C[5](C[5]C[5]2)(C[5]C[5]H)(O[5]C[5])	C[5](C[5]C[3,5]CH)2(C[5]C[5]O[5]){2|C<3>,2|C<4>,2|H<1>}	C[5](C[3,5]C[3,5]C[3]C)(CC[5,5]HH)(C[5]C[5]2)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5]2)(C[5]C[5]H)(O[5]C[5]){1|O<1>,2|H<1>,5|C<4>}	126.8750	1.117	2	126.8750	1.248	2	126.8750	1.248	2	126.8750	1.248	2	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:4:3:	4:4:3:1:	3:3:4:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]2H)(C[5]O[5]HH)(C[5]C[5]C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]C[5]2)(H)	C[5](C[5]C[5]2)(C[5]O[5]O)(CCHH)	C[5](C[5]C[5]2H)(C[5]O[5]HH)(C[5]C[5]C){1|O<1>,3|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]C[5]2)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5]C[5]2)(C[5]O[5]O)(CCHH){2|C<4>,3|H<1>}	128.9185	0.476	2	128.9185	0.226	2	128.9185	0.226	2	128.9185	0.226	2	126.3680	11.366	273	130.0087	33.320	542
818	474	818	0:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:4:3:	4:4:3:2:	3:3:2:	C[5]-4:C[5]-4:C[5]-3:	C[3,5]-4:C-4:C[5]-3:O-2:	C[5]-3:C[5]-3:O[5]-2:	C[5](C[5]C[3,5]CH)(C[5]C[3,5]CO)(C[5]C[5]O[5])	C[5](C[3,5]C[3,5]C[3]C)(CC[5,5]HH)(C[5]C[5]2)(OH)	C[5](C[5]C[5]2)(C[5]C[5]H)(O[5]C[5])	C[5](C[5]C[3,5]CH)(C[5]C[3,5]CO)(C[5]C[5]O[5]){2|C<3>,2|C<4>,2|H<1>}	C[5](C[3,5]C[3,5]C[3]C)(CC[5,5]HH)(C[5]C[5]2)(OH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5]2)(C[5]C[5]H)(O[5]C[5]){1|H<1>,1|O<1>,1|O<2>,5|C<4>}	125.9135	3.464	2	125.9135	12.000	2	125.9135	12.000	2	125.9135	12.000	2	126.3680	11.366	273	130.0087	33.320	542
818	474	818	5:SP2_SP2_SP3	C[3x5]	C[3x5,6]	C[5]	4:4:3:	3:3:3:4:	3:3:4:	C[3x5,6]-4:C[5,5,6]-4:C[5]-3:	C[5,6,6a]-3:C[5,6]-3:C[3x5]-3:C[5,6]-4:	C[3x5]-3:C[5,6]-3:Si-4:	C[3x5](C[3x5,6]C[5,6,6a]C[5,6]2)(C[5,5,6]C[5,6,6a]C[5,6]H)(C[5]C[5,6]Si)	C[3x5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6]C[6,6a]C[5,6])(C[3x5]C[5,5,6]C[5])(C[5,6]C[5,6]CC)	C[5](C[3x5]C[3x5,6]C[5,5,6])(C[5,6]C[5,6]C[6])(SiC3)	C[3x5](C[3x5,6]C[5,6,6a]C[5,6]2)(C[5,5,6]C[5,6,6a]C[5,6]H)(C[5]C[5,6]Si){1|C<4>,3|C<3>,4|C<2>}	C[3x5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6]C[6,6a]C[5,6])(C[3x5]C[5,5,6]C[5])(C[5,6]C[5,6]CC){1|Si<4>,1|C<4>,1|H<1>,2|C<2>,5|C<3>}	C[5](C[3x5]C[3x5,6]C[5,5,6])(C[5,6]C[5,6]C[6])(SiC3){3|C<3>,3|C<4>,3|H<1>}	113.4940	0.000	1	113.4940	0.000	1	113.4940	0.000	1	113.4940	0.000	1	113.4940	0.000	1	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5,6]	C[3x5,6]	C[5,6]	4:4:3:	4:4:3:4:	4:3:1:	C[3x5,6]-4:C[5,6]-4:C[5,6]-3:	C[5,5]-4:C[5,6]-4:C[5,5,6]-3:C[5]-4:	C[5,5,6]-4:C[5,5,6]-3:H-1:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,6]C[6]C)(C[5,6]C[5,5,6]H)	C[3x5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[3,5,6]HH)(C[5,5,6]C[5,6]2)(C[5]C[5,6]HH)	C[5,6](C[5,5,6]C[3,5,6]C[5,5]O)(C[5,5,6]C[3x5,6]C[5,6])(H)	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,6]C[6]C)(C[5,6]C[5,5,6]H){1|O<2>,3|C<4>,9|H<1>}	C[3x5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[3,5,6]HH)(C[5,5,6]C[5,6]2)(C[5]C[5,6]HH){1|O<2>,2|H<1>,5|C<4>}	C[5,6](C[5,5,6]C[3,5,6]C[5,5]O)(C[5,5,6]C[3x5,6]C[5,6])(H){2|H<1>,7|C<4>}	108.9070	0.000	1	108.9070	0.000	1	108.9070	0.000	1	108.9070	0.000	1	108.9070	0.000	1	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6,6]	4:4:3:	3:4:3:1:	4:3:4:	C[5,6,6]-4:C[5,5,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5,6]-3:Cl-1:	C[5,5,6]-4:C[5,5,6]-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])	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)	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]){3|Cl<1>,1|C<4>,6|C<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){2|Cl<1>,2|C<4>,5|C<3>}	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>}	112.9960	0.000	1	112.9960	0.000	1	112.9960	0.000	1	112.9960	0.000	1	112.9960	0.000	1	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5]	4:4:3:	3:3:3:4:	3:3:3:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:	C[5,5,6]-3:C[5,6a]-3:C[5,6]-3:C[5,6]-4:	C[5,6a]-3:C[5,5,6]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,5,6]C[5,6a]C[5,6]2)(C[5]C[5,6a]C[6a])	C[5,5,6](C[5,5,6]C[5,5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2)(C[6a]C[6a]2)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,5,6]C[5,6a]C[5,6]2)(C[5]C[5,6a]C[6a]){11|C<3>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]2){10|C<3>,5|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2)(C[6a]C[6a]2){3|Cl<1>,2|C<4>,7|C<3>}	113.2240	0.000	1	113.2240	0.000	1	113.2240	0.000	1	113.2240	0.000	1	113.2240	0.000	1	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5,6]	C[5,5]	C[5,6]	4:3:4:	3:4:4:1:	3:4:3:	C[5,5,6]-4:C[5,6]-3:C[5,5]-4:	C[5,5,6]-3:C[5]-4:C[5]-4:H-1:	C[5,5,6]-3:C[6]-4:C[5]-3:	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6])(C[5,5]C[5]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6])(C[5]C[5]HH)2(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5])(C[6]C[6]HH)(C[5]C[5]O)	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6])(C[5,5]C[5]2H){1|O<1>,2|O<2>,3|C<4>,9|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6])(C[5]C[5]HH)2(H){1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5])(C[6]C[6]HH)(C[5]C[5]O){4|C<4>,5|H<1>}	114.9320	0.000	1	114.9320	0.000	1	114.9320	0.000	1	114.9320	0.000	1	110.8830	32.789	2	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5,6]	C[5,5]	C[5,6]	4:4:3:	4:3:1:1:	3:3:1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:	C[5,5,6]-4:C[5,5,6]-3:H-1:H-1:	C[5,5,6]-3:C[5,6]-3:H-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]H)	C[5,5](C[5,5,6]C[5,6]2H)(C[5,5,6]C[5,6]2)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,5,6]H)(H)	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]H){1|C<3>,1|C<4>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)(C[5,5,6]C[5,6]2)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	106.8340	0.000	1	106.8340	0.000	1	106.8340	0.000	1	106.8340	0.000	1	110.8830	32.789	2	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[3x5,6]	C[5]	4:4:3:	4:4:3:3:	3:3:4:	C[3x5,6]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C[5,5]-3:	C[5,5]-3:C[5]-3:Si-4:	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)(C[5]C[5]Si)	C[3x5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[5,5]C[5]2)	C[5](C[5,5]C[3x5,6]C[5])(C[5]C[5,6]O)(SiC3)	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)(C[5]C[5]Si){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[3x5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[5,5]C[5]2){1|Si<4>,1|O<1>,2|C<4>,8|H<1>}	C[5](C[5,5]C[3x5,6]C[5])(C[5]C[5,6]O)(SiC3){1|C<3>,2|H<1>,3|C<4>}	114.4000	0.000	1	114.4000	0.000	1	114.4000	0.000	1	114.4000	0.000	1	113.8765	1.300	4	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[3x5,6]	C[5]	4:4:3:	4:4:4:3:	3:3:4:	C[3x5,6]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C[5,5]-3:	C[5,5]-3:C[5]-3:Si-4:	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)(C[5]C[5]Si)	C[3x5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[5,5]C[5]2)	C[5](C[5,5]C[3x5,6]C[5])(C[5]C[5,6]O)(SiC3)	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)(C[5]C[5]Si){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[3x5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[5,5]C[5]2){1|Si<4>,1|C<3>,1|C<4>,1|O<1>,8|H<1>}	C[5](C[5,5]C[3x5,6]C[5])(C[5]C[5,6]O)(SiC3){2|H<1>,5|C<4>}	115.2130	0.000	1	115.2130	0.000	1	115.2130	0.000	1	115.2130	0.000	1	113.8765	1.300	4	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[3x5,6]	C[5]	4:4:3:	4:4:4:3:	3:4:1:	C[3x5,6]-4:C[5]-4:C[5]-3:	C[5,6]-4:C[5,6]-4:C[5,5]-4:C[5,5]-3:	C[5,5]-3:C[5]-4:H-1:	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)(C[5]C[5]H)	C[3x5,6](C[5,6]C[5]C[6]H)2(C[5,5]C[5]2H)(C[5,5]C[5]2)	C[5](C[5,5]C[3x5,6]C[5])(C[5]C[5,6]HH)(H)	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)(C[5]C[5]H){2|C<3>,2|C<4>,7|H<1>}	C[3x5,6](C[5,6]C[5]C[6]H)2(C[5,5]C[5]2H)(C[5,5]C[5]2){11|H<1>,1|C<4>,2|O<1>}	C[5](C[5,5]C[3x5,6]C[5])(C[5]C[5,6]HH)(H){1|C<3>,3|C<4>,3|H<1>}	112.9465	0.333	2	112.9465	0.111	2	112.9465	0.111	2	112.9465	0.111	2	113.8765	1.300	4	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[3x5]	C[5]	3:4:3:	4:3:4:3:	3:3:2:	C[5,6a]-3:C[3x5]-4:C[5]-3:	C[5,5]-4:C[5,5]-3:C[5,5]-4:C-3:	C[5,5]-3:C[6a]-3:O[5]-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(C[5]C[6a]O[5])	C[3x5](C[5,5]C[5,6a]O[5]H)(C[5,5]C[5,6a]C[5])(C[5,5]C[5,6a]2C)(CC[6a]O)	C[5](C[5,5]C[5,6a]C[3x5])(C[6a]C[6a]2)(O[5]C[5,5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(C[5]C[6a]O[5]){1|C<4>,2|H<1>,6|C<3>}	C[3x5](C[5,5]C[5,6a]O[5]H)(C[5,5]C[5,6a]C[5])(C[5,5]C[5,6a]2C)(CC[6a]O){5|C<3>}	C[5](C[5,5]C[5,6a]C[3x5])(C[6a]C[6a]2)(O[5]C[5,5]){1|C<4>,3|H<1>,6|C<3>}	109.0010	0.000	1	109.0010	0.000	1	109.0010	0.000	1	109.0010	0.000	1	112.4130	5.183	4	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[3x5]	C[5]	4:3:4:	4:3:4:4:	3:4:3:	C[3x5]-4:C[5]-3:C[5]-4:	C[5,5]-4:C[5,5]-3:C[5]-4:C[5]-4:	C[5,5]-3:C[5]-4:C[6a]-3:	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[6a]C[5])(C[5]C[5]HH)	C[3x5](C[5,5]C[5]2H)(C[5,5]C[5]2)(C[5]C[5]HH)2	C[5](C[5,5]C[3x5]C[5])(C[5]C[5,5]HO)(C[6a]C[6a]2)	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[6a]C[5])(C[5]C[5]HH){1|O<2>,2|C<3>,2|C<4>,8|H<1>}	C[3x5](C[5,5]C[5]2H)(C[5,5]C[5]2)(C[5]C[5]HH)2{1|C<3>,2|O<2>,8|H<1>}	C[5](C[5,5]C[3x5]C[5])(C[5]C[5,5]HO)(C[6a]C[6a]2){2|C<3>,4|C<4>,5|H<1>}	113.6820	0.000	1	113.6820	0.000	1	113.6820	0.000	1	113.6820	0.000	1	112.4130	5.183	4	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[3x5]	C[5]	4:4:3:	4:3:4:4:	3:3:1:	C[3x5]-4:C[5]-4:C[5]-3:	C[5,5,6]-4:C[5,5]-3:C[5]-4:C[5]-4:	C[5,5]-3:C[5]-3:H-1:	C[5,5](C[3x5]C[5,5,6]C[5]2)(C[5]C[5]HH)(C[5]C[5]H)	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5]2)(C[5]C[5]HH)2	C[5](C[5,5]C[3x5]C[5])(C[5]C[5]O)(H)	C[5,5](C[3x5]C[5,5,6]C[5]2)(C[5]C[5]HH)(C[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5]2)(C[5]C[5]HH)2{2|O<1>,3|C<4>,7|H<1>}	C[5](C[5,5]C[3x5]C[5])(C[5]C[5]O)(H){3|C<4>,4|H<1>}	113.4845	0.033	2	113.4845	0.001	2	113.4845	0.001	2	113.4845	0.001	2	112.4130	5.183	4	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5,6,6]	C[5]	4:3:3:	3:3:3:4:	3:3:1:	C[5,5,6,6]-4:C[5,6a]-3:C[5]-3:	C[5,5]-3:N[5,6]-3:N[5,6]-3:C[6,6]-4:	C[5,5]-3:C[5]-3:H-1:	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)	C[5,5,6,6](C[5,5]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)	C[5](C[5,5]C[5,5,6,6]C[5,6a])(C[5]N[5,6]O)(H)	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H){1|H<1>,1|O<1>,2|C<3>,5|C<4>}	C[5,5,6,6](C[5,5]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C){1|O<1>,1|O<2>,2|C<3>,2|C<4>,8|H<1>}	C[5](C[5,5]C[5,5,6,6]C[5,6a])(C[5]N[5,6]O)(H){1|N<3>,2|C<3>,2|C<4>}	111.0080	0.000	1	110.8537	0.510	3	110.8537	0.510	3	110.8537	0.510	3	110.8537	0.510	3	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5,6,6]	C[5]	4:3:3:	3:3:3:4:	3:3:1:	C[5,5,6,6]-4:C[5,6a]-3:C[5]-3:	C[5,5]-3:N[5,6]-3:N[5,6]-3:C[6,6]-4:	C[5,5]-3:C[5]-3:H-1:	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)	C[5,5,6,6](C[5,5]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)	C[5](C[5,5]C[5,5,6,6]C[5,6a])(C[5]N[5,6]O)(H)	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H){1|H<1>,1|O<1>,2|C<3>,5|C<4>}	C[5,5,6,6](C[5,5]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C){1|O<1>,2|C<3>,2|C<4>,9|H<1>}	C[5](C[5,5]C[5,5,6,6]C[5,6a])(C[5]N[5,6]O)(H){1|N<3>,2|C<3>,2|C<4>}	110.0750	0.000	1	110.8537	0.510	3	110.8537	0.510	3	110.8537	0.510	3	110.8537	0.510	3	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5,6,6]	C[5]	4:3:3:	3:3:3:4:	3:3:1:	C[5,5,6,6]-4:C[5,6a]-3:C[5]-3:	C[5,5]-3:N[5,6]-3:N[5,6]-3:C[6,6]-4:	C[5,5]-3:C[5]-3:H-1:	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)	C[5,5,6,6](C[5,5]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)	C[5](C[5,5]C[5,5,6,6]C[5,6a])(C[5]N[5,6]O)(H)	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[5,5,6,6](C[5,5]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C){2|C<3>,2|C<4>,2|O<1>,7|H<1>}	C[5](C[5,5]C[5,5,6,6]C[5,6a])(C[5]N[5,6]O)(H){1|N<3>,2|C<3>,2|C<4>}	111.4780	0.000	1	110.8537	0.510	3	110.8537	0.510	3	110.8537	0.510	3	110.8537	0.510	3	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5,6]	C[5]	4:3:2:	4:4:3:1:	3:2:1:	C[5,5,6]-4:C[5]-3:N[5]-2:	C[5,6]-4:C[5,6]-4:C[5,5]-3:H-1:	C[5,5]-3:O[5]-2:O-1:	C[5,5](C[5,5,6]C[5,6]2H)(C[5]O[5]O)(N[5]O[5])	C[5,5,6](C[5,6]C[6]O[5]C)(C[5,6]C[6]O[5]H)(C[5,5]C[5]N[5])(H)	C[5](C[5,5]C[5,5,6]N[5])(O[5]C[5,6])(O)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]O[5]O)(N[5]O[5]){1|H<1>,3|C<4>}	C[5,5,6](C[5,6]C[6]O[5]C)(C[5,6]C[6]O[5]H)(C[5,5]C[5]N[5])(H){1|C<4>,1|O<1>,4|H<1>}	C[5](C[5,5]C[5,5,6]N[5])(O[5]C[5,6])(O){1|O<2>,2|C<4>,2|H<1>}	110.3790	0.000	1	110.3790	0.000	1	110.3790	0.000	1	110.3790	0.000	1	110.3908	9.921	14	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5,6]	C[5]	4:3:3:	3:4:3:2:	4:3:1:	C[5,5,6]-4:N[5]-3:C[5]-3:	C[5,6a]-3:C[5,6]-4:C[5,5]-3:O[5,6]-2:	C[5,6]-4:C[5,5]-3:H-1:	C[5,5](C[5,5,6]C[5,6a]C[5,6]O[5,6])(N[5]C[5,6a]C)(C[5]C[5,6]H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5,5]C[5]N[5])(O[5,6]C[5,6])	C[5](C[5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]N[5])(H)	C[5,5](C[5,5,6]C[5,6a]C[5,6]O[5,6])(N[5]C[5,6a]C)(C[5]C[5,6]H){2|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5,5]C[5]N[5])(O[5,6]C[5,6]){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]N[5])(H){1|H<1>,2|C<4>,4|C<3>}	109.3860	0.000	1	109.3860	0.000	1	109.3860	0.000	1	109.3860	0.000	1	110.3908	9.921	14	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5,6]	C[5]	4:3:3:	3:4:3:3:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[5]-3:	C[6,6a]-3:C[5,6]-4:C[5,5]-3:C[5]-3:	C[5,5]-3:C[5]-3:C[6a]-3:	C[5,5](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])	C[5](C[5,5]C[5,5,6]C[5,6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,5](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]){2|H<1>,9|C<3>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]){1|H<1>,1|O<1>,1|O<2>,8|C<3>}	C[5](C[5,5]C[5,5,6]C[5,6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	110.5275	0.380	2	110.5275	0.144	2	110.5275	0.144	2	110.5275	0.144	2	110.3908	9.921	14	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5,6]	C[5]	4:3:3:	4:3:4:2:	3:2:4:	C[5,5,6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[5,5]-3:C[6]-4:N[5]-2:	C[5,5]-3:N[5]-2:C-4:	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5]C[5]Br)(C[5]N[5]C)	C[5,5,6](C[5,6]C[6]N[5]Br)(C[5,5]C[5]2)(C[6]C[6]HH)(N[5]C[5])	C[5](C[5,5]C[5,5,6]C[5])(N[5]C[5,6])(CC3)	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5]C[5]Br)(C[5]N[5]C){1|Br<1>,2|H<1>,3|C<4>}	C[5,5,6](C[5,6]C[6]N[5]Br)(C[5,5]C[5]2)(C[6]C[6]HH)(N[5]C[5]){1|Br<1>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,5,6]C[5])(N[5]C[5,6])(CC3){2|Br<1>,1|C<3>,1|N<2>,2|C<4>}	103.9010	0.000	1	103.9010	0.000	1	103.9010	0.000	1	103.9010	0.000	1	110.3908	9.921	14	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5,6]	C[5]	4:3:3:	4:3:4:2:	3:3:1:	C[5,5,6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[5,5]-3:C[6]-4:N[5]-2:	C[5,5]-3:C[5]-3:Br-1:	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5]C[5]Br)(C[5]N[5]C)	C[5,5,6](C[5,6]C[6]N[5]Br)(C[5,5]C[5]2)(C[6]C[6]HH)(N[5]C[5])	C[5](C[5,5]C[5,5,6]C[5])(C[5]N[5]C)(Br)	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5]C[5]Br)(C[5]N[5]C){1|Br<1>,2|H<1>,3|C<4>}	C[5,5,6](C[5,6]C[6]N[5]Br)(C[5,5]C[5]2)(C[6]C[6]HH)(N[5]C[5]){1|Br<1>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,5,6]C[5])(C[5]N[5]C)(Br){1|N<2>,3|C<4>}	108.4070	0.000	1	108.4070	0.000	1	108.4070	0.000	1	108.4070	0.000	1	110.3908	9.921	14	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5,6]	C[5]	4:3:3:	4:4:3:4:	3:2:1:	C[5,5,6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[5,6]-4:C[5,5]-3:C[5]-4:	C[5,5]-3:O[5]-2:O-1:	C[5,5](C[5,5,6]C[5,6]2C[5])(C[5]O[5]C)(C[5]O[5]O)	C[5,5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[6]O[5]H)(C[5,5]C[5]2)(C[5]O[5]HH)	C[5](C[5,5]C[5,5,6]C[5])(O[5]C[5])(O)	C[5,5](C[5,5,6]C[5,6]2C[5])(C[5]O[5]C)(C[5]O[5]O){1|C<2>,1|O<2>,2|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[6]O[5]H)(C[5,5]C[5]2)(C[5]O[5]HH){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5,6]C[5])(O[5]C[5])(O){1|O<2>,2|H<1>,3|C<4>}	108.9660	0.000	1	108.9660	0.000	1	108.9660	0.000	1	108.9660	0.000	1	110.3908	9.921	14	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5,6]	C[5]	4:3:3:	4:4:3:4:	3:2:4:	C[5,5,6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[5,6]-4:C[5,5]-3:C[5]-4:	C[5,5]-3:O[5]-2:C-4:	C[5,5](C[5,5,6]C[5,6]2C[5])(C[5]O[5]C)(C[5]O[5]O)	C[5,5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[6]O[5]H)(C[5,5]C[5]2)(C[5]O[5]HH)	C[5](C[5,5]C[5,5,6]C[5])(O[5]C[5,6])(CH3)	C[5,5](C[5,5,6]C[5,6]2C[5])(C[5]O[5]C)(C[5]O[5]O){1|C<2>,1|O<2>,2|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[6]O[5]H)(C[5,5]C[5]2)(C[5]O[5]HH){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5,6]C[5])(O[5]C[5,6])(CH3){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	110.6610	0.000	1	110.6610	0.000	1	110.6610	0.000	1	110.6610	0.000	1	110.3908	9.921	14	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5,6]	C[5]	4:4:3:	2:3:4:3:	3:4:1:	C[5,5,6]-4:C[5]-4:C[5]-3:	O[5,6]-2:C[5,5]-3:C[5]-4:C[6]-3:	C[5,5]-3:C[5]-4:H-1:	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]C[5]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)	C[5](C[5,5]C[5,5,6]C[5])(C[5]C[5]HH)(H)	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]C[5]H){1|O<1>,2|C<3>,5|H<1>}	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[5](C[5,5]C[5,5,6]C[5])(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	111.4160	0.000	1	111.4160	0.000	1	111.4160	0.000	1	111.4160	0.000	1	110.3908	9.921	14	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5,6]	C[5]	4:4:3:	3:3:4:2:	3:3:1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5,6]-3:C[5,5]-3:C[6]-4:N[5]-2:	C[5,5]-3:C[5]-3:Cl-1:	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[5,5,6](C[5,6]C[6]N[5])(C[5,5]C[5]2)(C[6]C[6]HH)(N[5]C[5])	C[5](C[5,5]C[5,5,6]C[5])(C[5]N[5]C)(Cl)	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>}	C[5,5,6](C[5,6]C[6]N[5])(C[5,5]C[5]2)(C[6]C[6]HH)(N[5]C[5]){2|Cl<1>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,5,6]C[5])(C[5]N[5]C)(Cl){1|Cl<1>,1|C<3>,1|N<2>,2|C<4>}	105.4380	0.000	1	105.4380	0.000	1	105.4380	0.000	1	105.4380	0.000	1	110.3908	9.921	14	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5,6]	C[5]	4:4:3:	4:3:4:3:	3:3:1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5,6]-4:C[5,5]-3:C[6]-4:C[5]-3:	C[5,5]-3:C[5]-3:H-1:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]N[5]HH)(C[5]C[5]H)	C[5,5,6](C[5,6]C[6,6a]N[5]H)(C[5,5]C[5]2)(C[6]O[6]HH)(C[5]C[5]C)	C[5](C[5,5]C[5,5,6]C[5])(C[5]C[5]O)(H)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]N[5]HH)(C[5]C[5]H){1|O<1>,1|O<2>,1|S<3>,2|C<3>,3|H<1>}	C[5,5,6](C[5,6]C[6,6a]N[5]H)(C[5,5]C[5]2)(C[6]O[6]HH)(C[5]C[5]C){1|O<1>,1|S<3>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,5,6]C[5])(C[5]C[5]O)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	113.3550	0.000	1	113.3550	0.000	1	113.3550	0.000	1	113.3550	0.000	1	110.3908	9.921	14	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5,6]	C[5]	4:4:3:	4:3:4:4:	3:3:1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5,6]-4:C[5,5]-3:C[5]-4:C[6]-4:	C[5,5]-3:C[5]-3:H-1:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]H)	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2)(C[5]C[5]CH)(C[6]C[6]HH)	C[5](C[5,5]C[5,5,6]C[5])(C[5]C[5]O)(H)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]H){1|O<1>,3|C<4>,6|H<1>}	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2)(C[5]C[5]CH)(C[6]C[6]HH){1|O<1>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,5,6]C[5])(C[5]C[5]O)(H){1|H<1>,6|C<4>}	113.0900	0.000	1	113.0900	0.000	1	113.0900	0.000	1	113.0900	0.000	1	110.3908	9.921	14	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5,6]	C[5]	4:4:3:	4:3:4:4:	3:3:4:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5,6]-4:C[5,5]-3:C[5]-4:C[6]-4:	C[5,5]-3:C[5]-3:C-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]C[5]C)	C[5,5,6](C[5,6]C[6,6a]C[5]C)(C[5,5]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[5](C[5,5]C[5,5,6]C[5])(C[5]C[5]O)(CH3)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[5,5,6](C[5,6]C[6,6a]C[5]C)(C[5,5]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[5](C[5,5]C[5,5,6]C[5])(C[5]C[5]O)(CH3){3|C<4>,4|H<1>}	114.1240	0.000	1	114.1240	0.000	1	114.7085	0.683	2	114.7085	0.683	2	110.3908	9.921	14	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5,6]	C[5]	4:4:3:	4:3:4:4:	3:3:4:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5,6]-4:C[5,5]-3:C[5]-4:C[6]-4:	C[5,5]-3:C[5]-3:C-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]N[5]HH)(C[5]C[5]C)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,5]C[5]2)(C[5]N[5]HH)(C[6]C[6]HH)	C[5](C[5,5]C[5,5,6]C[5])(C[5]C[5,6]O)(CH3)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]N[5]HH)(C[5]C[5]C){1|O<1>,1|S<4>,2|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,5]C[5]2)(C[5]N[5]HH)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,1|S<4>,6|H<1>}	C[5](C[5,5]C[5,5,6]C[5])(C[5]C[5,6]O)(CH3){1|N<3>,3|C<4>,3|H<1>}	115.2930	0.000	1	115.2930	0.000	1	114.7085	0.683	2	114.7085	0.683	2	110.3908	9.921	14	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5,5]	4:3:3:	3:3:3:3:	3:3:4:	C[5,5]-4:C[5,6a]-3:C[5,5]-3:	C[5,5]-3:C[5,5]-3:C[5,6a]-3:C[5,6a]-3:	C[5,5]-3:C[5,6a]-3:C[5]-4:	C[5,5](C[5,5]C[5,6a]2C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])	C[5,5](C[5,5]C[5,6a]C[5,5])2(C[5,6a]C[5,6a]C[6a])2	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)	C[5,5](C[5,5]C[5,6a]2C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]){10|C<3>,1|H<1>}	C[5,5](C[5,5]C[5,6a]C[5,5])2(C[5,6a]C[5,6a]C[6a])2{2|C<4>,2|H<1>,8|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2){10|C<3>,1|H<1>}	112.6730	0.000	1	112.6730	0.000	1	112.6730	0.000	1	111.0793	1.958	3	110.7759	1.753	7	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5,5]	4:3:3:	3:3:3:3:	3:3:4:	C[5,5]-4:C[5,6a]-3:C[5,5]-3:	C[5,5]-3:C[5,5]-3:C[5,6a]-3:C[5,6a]-3:	C[5,5]-3:C[5,6a]-3:S[5]-4:	C[5,5](C[5,5]C[5,6a]2C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]S[5])	C[5,5](C[5,5]C[5,6a]C[5,5])2(C[5,6a]C[5,6a]C[6a])2	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)	C[5,5](C[5,5]C[5,6a]2C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]S[5]){1|H<1>,2|O<1>,8|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5])2(C[5,6a]C[5,6a]C[6a])2{2|H<1>,2|S<4>,8|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO){1|H<1>,6|C<3>}	110.2825	0.327	2	110.2825	0.107	2	110.2825	0.107	2	111.0793	1.958	3	110.7759	1.753	7	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5,5]	4:3:3:	3:4:3:1:	3:3:3:	C[5,5]-4:C[5,5]-3:C[5]-3:	C[5,5]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2)(C[5]C[5]H)	C[5,5](C[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5,5]C[5])(C[5]C[5,5]C)(C[5]C[5]H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2)(C[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5,5](C[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5,5]C[5])(C[5]C[5,5]C)(C[5]C[5]H){2|C<3>,4|H<1>}	109.0220	0.000	1	109.0220	0.000	1	109.0220	0.000	1	109.0220	0.000	1	110.7759	1.753	7	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5,5]	4:3:4:	3:3:2:2:	3:3:4:	C[5,5]-4:C[5,5]-3:C[5]-4:	C[5,5]-3:C[5,5]-3:O[5]-2:O[5]-2:	C[5,5]-3:C[5,5]-3:C[5]-4:	C[5,5](C[5,5]C[5,5]O[5]2)(C[5,5]C[5,5]C[5])(C[5]C[5]HH)	C[5,5](C[5,5]C[5,5]C[5])2(O[5]C[5])2	C[5,5](C[5,5]C[5,5]C[5])2(C[5]C[5]HH)	C[5,5](C[5,5]C[5,5]O[5]2)(C[5,5]C[5,5]C[5])(C[5]C[5]HH){4|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,5]C[5])2(O[5]C[5])2{4|C<4>,8|H<1>}	C[5,5](C[5,5]C[5,5]C[5])2(C[5]C[5]HH){2|C<4>,2|O<2>,6|H<1>}	110.4850	1.025	2	110.4850	1.051	2	110.4850	1.051	2	110.4850	1.051	2	110.7759	1.753	7	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5,5]	4:4:3:	3:4:4:2:	3:3:3:	C[5,5]-4:C[5]-4:C[5,5]-3:	C[5,5]-3:C[5]-4:C[5]-4:O[5]-2:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5](C[5,5]C[5]2O[5])(C[5]C[6a]N[5]O)(C[5,5]C[5]2)	C[5,5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)2(O[5]C[5])	C[5,5](C[5,5]C[5,5]C[5])(C[5]C[6a]N[5])(C[5]O[5]O)	C[5,5](C[5,5]C[5]2O[5])(C[5]C[6a]N[5]O)(C[5,5]C[5]2){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)2(O[5]C[5]){1|N<2>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,5]C[5])(C[5]C[6a]N[5])(C[5]O[5]O){1|O<2>,2|C<4>,3|C<3>}	112.2010	0.000	1	112.2010	0.000	1	112.2010	0.000	1	112.2010	0.000	1	110.7759	1.753	7	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5,6]	3:4:3:	3:4:3:1:	3:3:4:	C[5,6]-3:C[5,5]-4:C[5]-3:	C[5,5]-3:C[5]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,5]-3:C[5,6]-4:	C[5,5](C[5,6]C[6,6a]C[5,6])(C[5,5]C[5]2H)(C[5]N[5]O)	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[5,6]HH)(C[5]N[5]O)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)	C[5,5](C[5,6]C[6,6a]C[5,6])(C[5,5]C[5]2H)(C[5]N[5]O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[5,6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,6|H<1>}	111.3560	0.000	1	111.3560	0.000	1	111.3560	0.000	1	111.3560	0.000	1	112.5410	2.808	2	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5,6]	4:3:3:	4:3:3:1:	4:3:4:	C[5,5]-4:C[5,6]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:C[5,5]-3:H-1:	C[5,6,6]-4:C[5,5]-3:C[6]-4:	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5,6]C[5,6,6]C[6])(N[5]C[5,6a]S)	C[5,5](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5])(H)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,5]C[5,5]N[5])(C[6]N[6]HH)	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5,6]C[5,6,6]C[6])(N[5]C[5,6a]S){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5])(H){1|S<4>,2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,5]C[5,5]N[5])(C[6]N[6]HH){2|C<4>,2|S<4>,3|C<3>,5|H<1>}	113.7260	0.000	1	113.7260	0.000	1	113.7260	0.000	1	113.7260	0.000	1	112.5410	2.808	2	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	3:3:4:	3:4:4:3:	3:4:3:	C[5,6a]-3:C[5]-3:C[5,5]-4:	C[5,5]-3:C[5]-4:C[5]-4:C-3:	C[5,5]-3:C[5,6]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(C[5,5]C[5]2C)	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6]HH)(COO)	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(C[5,5]C[5]2C){2|C<4>,4|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6]HH)(COO){2|C<4>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2){3|C<4>,5|C<3>,8|H<1>}	113.4150	0.000	1	113.4150	0.000	1	113.4150	0.000	1	113.4150	0.000	1	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	3:4:3:	3:2:4:2:	3:4:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,5]-3:O[5]-2:C[5]-4:O-2:	C[5,5]-3:C[5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]O)(C[5]C[6a]C[5])	C[5,5](C[5,5]C[5,6a]C[5])(O[5]C[5,6a])(C[5]C[5]HO)(OC)	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]O)(C[5]C[6a]C[5]){2|H<1>,2|O<2>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5])(O[5]C[5,6a])(C[5]C[5]HO)(OC){1|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2){3|H<1>,3|O<2>,6|C<3>}	111.7270	0.000	1	111.7270	0.000	1	111.7270	0.000	1	111.7270	0.000	1	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	3:4:3:	3:3:3:4:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-3:C[5]-3:C-4:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[6a]C[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])(CCHH)	C[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[6a]C[5]){2|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])(CCHH){2|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,2|H<1>,6|C<3>}	108.7860	0.000	1	108.7860	0.000	1	109.1480	0.262	2	109.1480	0.262	2	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	3:4:3:	3:3:3:4:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-3:C[5]-3:C-4:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[6a]C[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])(CC[6a]CH)	C[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[6a]C[5]){2|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])(CC[6a]CH){2|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,2|H<1>,6|C<3>}	109.5100	0.000	1	109.5100	0.000	1	109.1480	0.262	2	109.1480	0.262	2	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	3:4:3:	3:3:4:1:	3:3:4:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,5]-3:N[5]-3:C[5]-4:H-1:	C[5,5]-3:C[5]-3:C-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]C)	C[5,5](C[5,5]C[5,6a]C[5])(N[5]C[5,6a]S)(C[5]C[5]CH)(H)	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[5]O)(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,1|S<4>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5])(N[5]C[5,6a]S)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[5]O)(CH3){1|N<3>,2|H<1>,3|C<3>}	112.4510	0.000	1	112.4510	0.000	1	112.4510	0.000	1	112.4510	0.000	1	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	3:4:3:	3:3:4:1:	3:4:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,5]-3:N[5]-3:C[5]-4:H-1:	C[5,5]-3:C[5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]H)	C[5,5](C[5,5]C[5,6a]C[5])(N[5]C[5,6a]S)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[6a]C[5]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]H){1|S<4>,3|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]C[5])(N[5]C[5,6a]S)(C[5]C[5]HH)(H){2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[6a]C[5]H)(H){1|N<3>,3|H<1>,4|C<3>}	110.9150	0.000	1	110.9150	0.000	1	110.9150	0.000	1	110.9150	0.000	1	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	3:4:3:	3:3:4:4:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-3:C[5]-4:C-4:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]C[6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]C[6a]){3|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3){1|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){2|C<4>,3|H<1>,6|C<3>}	111.6630	0.000	1	111.6630	0.000	1	111.6630	0.000	1	111.6630	0.000	1	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	3:4:3:	3:4:2:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,5]-3:C[5]-4:O[5]-2:H-1:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[6a]C[5])	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HO)(O[5]C[5])(H)	C[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]O[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[6a]C[5]){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HO)(O[5]C[5])(H){1|O<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]O[5]O){1|C<4>,3|H<1>,4|C<3>}	109.9825	0.466	2	109.9825	0.217	2	109.9825	0.217	2	109.9825	0.217	2	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	3:4:3:	3:4:2:1:	3:3:4:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,5]-3:C[5]-4:O[5]-2:H-1:	C[5,5]-3:C[5]-3:C-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]C)	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,6a]C[5,5])(C[5]O[5]O)(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]C){1|O<1>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5]O[5]O)(CH3){1|C<4>,1|H<1>,2|C<3>}	110.7380	0.000	1	110.7380	0.000	1	110.7380	0.000	1	110.7380	0.000	1	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	3:4:3:	3:4:3:1:	3:3:1:	C[5,6]-3:C[5,5]-4:C[5]-3:	C[5,5]-3:C[5]-4:C[5]-3:H-1:	C[5,5]-3:N[5]-3:O-1:	C[5,5](C[5,6]C[6,6a]C[5,6])(C[5,5]C[5]2H)(C[5]N[5]O)	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[5,6]HH)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5,6])(N[5]C[6a]C[5])(O)	C[5,5](C[5,6]C[6,6a]C[5,6])(C[5,5]C[5]2H)(C[5]N[5]O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[5,6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,5]C[5,5]C[5,6])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	108.3450	0.000	1	108.3450	0.000	1	108.3450	0.000	1	108.3450	0.000	1	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	3:4:3:	3:4:4:1:	3:4:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-3:C[5,6]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5,6]H)	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6]CC)(H)	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5]O[6]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5,6]H){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6]CC)(H){1|H<1>,2|C<3>,2|O<2>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5]O[6]2)(H){1|H<1>,3|C<3>,4|C<4>}	112.8650	0.000	1	112.8650	0.000	1	112.7187	0.087	3	112.7187	0.087	3	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	3:4:3:	3:4:4:1:	3:4:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-3:C[5,6]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5,6]H)	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6]CH)(H)	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5]O[6]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5,6]H){1|C<2>,2|C<3>,2|O<2>,4|H<1>}	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6]CH)(H){1|H<1>,2|C<3>,2|O<2>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5]O[6]2)(H){1|C<2>,2|C<3>,2|H<1>,3|C<4>}	112.3800	0.000	1	112.6455	0.141	2	112.7187	0.087	3	112.7187	0.087	3	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	3:4:3:	3:4:4:1:	3:4:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-3:C[5,6]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5,6]H)	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6]CH)(H)	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5]O[6]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5,6]H){2|O<2>,3|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6]CH)(H){1|H<1>,2|C<3>,2|O<2>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5]O[6]2)(H){2|H<1>,3|C<3>,3|C<4>}	112.9110	0.000	1	112.6455	0.141	2	112.7187	0.087	3	112.7187	0.087	3	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	3:4:3:	4:3:2:1:	3:4:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6]-4:C[5,5]-3:O[5]-2:H-1:	C[5,5]-3:C[5,6]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]O[5]H)(C[5]C[5,6]H)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5,6a]C[5])(O[5]C[5,6a])(H)	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5,6]C[6]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]O[5]H)(C[5]C[5,6]H){1|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5,6a]C[5])(O[5]C[5,6a])(H){1|C<4>,1|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5,6]C[6]C)(H){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	111.3670	0.000	1	111.3670	0.000	1	111.3670	0.000	1	111.0100	0.255	2	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	3:4:3:	4:3:2:1:	3:4:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6]-4:C[5,5]-3:S[5]-2:H-1:	C[5,5]-3:C[5,6]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]S[5]H)(C[5]C[5,6]H)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H)	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5,6]C[6]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]S[5]H)(C[5]C[5,6]H){1|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H){1|C<4>,1|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5,6]C[6]C)(H){1|N<3>,1|S<2>,3|C<3>,4|H<1>}	110.6530	0.000	1	110.6530	0.000	1	110.6530	0.000	1	111.0100	0.255	2	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	3:4:4:	3:4:4:1:	3:3:3:	C[5]-3:C[5,5]-4:C[5]-4:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]O[5]CH)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]O[5]CH){1|O<1>,2|C<3>,4|H<1>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]O){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	114.3610	0.000	1	114.3610	0.000	1	114.3610	0.000	1	114.3610	0.000	1	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	3:4:4:	3:4:4:4:	3:3:4:	C[5]-3:C[5,5]-4:C[5]-4:	C[5,5]-3:C[5]-4:C[5]-4:C-4:	C[5,5]-3:C[6a]-3:C[5]-4:	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]N[5]HH)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]HH)(CCHH)	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]N[5]HH){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]HH)(CCHH){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	114.2180	1.310	2	114.2180	1.715	2	114.2180	1.715	2	114.2180	1.715	2	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	3:4:4:	3:4:4:4:	3:4:3:	C[5]-3:C[5,5]-4:C[5]-4:	C[5,5]-3:C[5]-4:C[5]-4:C-4:	C[5,5]-3:C[5]-4:C[6a]-3:	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]O[5]HH)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(CH3)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]2)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]O[5]HH){4|C<3>,4|H<1>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(CH3){2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]2){1|O<2>,3|C<4>,4|C<3>,5|H<1>}	114.8230	0.000	1	114.8230	0.000	1	114.8230	0.000	1	114.8230	0.000	1	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	4:3:2:	3:3:3:1:	3:4:3:	C[5,5]-4:C[5]-3:O[5]-2:	C[5,5]-3:C[5]-3:N[5]-3:H-1:	C[5,5]-3:C[5,6]-4:C[6a]-3:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5,6]C[6a])(O[5]C[5])	C[5,5](C[5,5]C[5]O[5])(C[5]C[5,6]H)(N[5]C[5]C)(H)	C[5](C[5,5]C[5,5]O[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5,6]C[6a])(O[5]C[5]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5,5](C[5,5]C[5]O[5])(C[5]C[5,6]H)(N[5]C[5]C)(H){1|N<2>,3|C<3>}	C[5](C[5,5]C[5,5]O[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2){1|N<3>,5|C<3>,6|H<1>}	116.6180	0.000	1	116.6180	0.000	1	116.6180	0.000	1	116.6180	0.000	1	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	4:3:2:	3:3:4:4:	3:3:4:	C[5,5]-4:C[5]-3:N[5]-2:	C[5,5]-3:C[6a]-3:C[5]-4:C[5]-4:	C[5,5]-3:C[5]-3:C-4:	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[5]C)(N[5]C[5])	C[5,5](C[5,5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)2	C[5](C[5,5]C[5,5]N[5])(C[5]C[5]H)(CH3)	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[5]C)(N[5]C[5]){2|C<3>,7|H<1>}	C[5,5](C[5,5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)2{1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]N[5])(C[5]C[5]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	109.5140	0.000	1	109.5140	0.000	1	109.5140	0.000	1	109.5140	0.000	1	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	4:3:2:	3:4:4:1:	3:2:1:	C[5,5]-4:C[5]-3:N[5]-2:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-3:O[5]-2:O-1:	C[5,5](C[5,5]C[5]2H)(C[5]O[5]O)(N[5]O[5])	C[5,5](C[5,5]C[5]N[5])(C[5]O[5]CH)2(H)	C[5](C[5,5]C[5,5]N[5])(O[5]C[5])(O)	C[5,5](C[5,5]C[5]2H)(C[5]O[5]O)(N[5]O[5]){2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]N[5])(C[5]O[5]CH)2(H){1|O<1>}	C[5](C[5,5]C[5,5]N[5])(O[5]C[5])(O){1|O<2>,2|C<4>,2|H<1>}	110.3900	0.000	1	110.3900	0.000	1	110.3900	0.000	1	110.3900	0.000	1	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	4:3:2:	4:3:4:1:	3:2:1:	C[5,5]-4:C[5]-3:N[5]-2:	C[5]-4:C[5,5]-3:C[5]-4:H-1:	C[5,5]-3:O[5]-2:O-1:	C[5,5](C[5,5]C[5]2H)(C[5]O[5]O)(N[5]O[5])	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]N[5])(C[5]O[5]CH)(H)	C[5](C[5,5]C[5,5]N[5])(O[5]C[5])(O)	C[5,5](C[5,5]C[5]2H)(C[5]O[5]O)(N[5]O[5]){1|C<3>,1|C<4>,2|H<1>}	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]N[5])(C[5]O[5]CH)(H){1|O<1>,2|C<3>}	C[5](C[5,5]C[5,5]N[5])(O[5]C[5])(O){1|O<2>,2|C<4>,2|H<1>}	110.1715	0.107	2	110.1715	0.011	2	110.1497	0.007	3	110.1497	0.007	3	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	4:3:2:	4:3:4:1:	3:2:1:	C[5,5]-4:C[5]-3:N[5]-2:	C[5]-4:C[5,5]-3:C[5]-4:H-1:	C[5,5]-3:O[5]-2:O-1:	C[5,5](C[5,5]C[5]2H)(C[5]O[5]O)(N[5]O[5])	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]N[5])(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,5]N[5])(O[5]C[5])(O)	C[5,5](C[5,5]C[5]2H)(C[5]O[5]O)(N[5]O[5]){1|C<3>,3|H<1>}	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]N[5])(C[5]O[5]HH)(H){1|O<1>,2|C<3>}	C[5](C[5,5]C[5,5]N[5])(O[5]C[5])(O){1|C<4>,1|O<2>,3|H<1>}	110.1060	0.000	1	110.1060	0.000	1	110.1497	0.007	3	110.1497	0.007	3	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	4:3:3:	3:3:3:3:	3:3:1:	C[5,5]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C[5,5]-3:C[6a]-3:	C[5,5]-3:C[5]-3:O-1:	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[6a]C[5])(C[5]C[5]O)	C[5,5](C[5]C[6a]C[5])2(C[5,5]C[5]2)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(O)	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[6a]C[5])(C[5]C[5]O){8|C<3>}	C[5,5](C[5]C[6a]C[5])2(C[5,5]C[5]2)(C[6a]C[6a]2){1|O<1>,2|H<1>,9|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(O){7|C<3>}	109.5010	0.000	1	109.5010	0.000	1	109.5010	0.000	1	109.5010	0.000	1	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	4:3:3:	3:3:3:3:	3:3:3:	C[5,5]-4:C[5]-3:C[5]-3:	C[5]-3:C[5,5]-3:C[6a]-3:C[5]-3:	C[5,5]-3:C[5]-3:C[6a]-3:	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[6a]C[5])2	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[6a]C[5])2{1|O<1>,9|C<3>}	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]C[5]O){2|H<1>,8|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	109.3440	0.000	1	110.1115	1.178	2	110.1115	1.178	2	110.6353	1.412	3	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	4:3:3:	3:3:3:3:	3:3:3:	C[5,5]-4:C[5]-3:C[5]-3:	C[5]-3:C[5,5]-3:C[6a]-3:C[5]-3:	C[5,5]-3:C[5]-3:C[6a]-3:	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[6a]C[5])2	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[6a]C[5])2{1|O<1>,9|C<3>}	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]C[5]O){2|H<1>,8|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,9|C<3>}	110.8790	0.000	1	110.1115	1.178	2	110.1115	1.178	2	110.6353	1.412	3	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	4:3:3:	3:3:3:3:	3:3:3:	C[5,5]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C[5,5]-3:C[6a]-3:	C[5,5]-3:C[5]-3:C[6a]-3:	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[6a]C[5])(C[5]C[5]O)	C[5,5](C[5]C[6a]C[5])2(C[5,5]C[5]2)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[6a]C[5])(C[5]C[5]O){8|C<3>}	C[5,5](C[5]C[6a]C[5])2(C[5,5]C[5]2)(C[6a]C[6a]2){1|O<1>,2|H<1>,9|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	111.6830	0.000	1	111.6830	0.000	1	111.6830	0.000	1	110.6353	1.412	3	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	4:3:3:	3:3:3:4:	3:3:3:	C[5,5]-4:C[5]-3:C[5]-3:	C[5]-3:C[5,5]-3:C[6a]-3:C[5]-4:	C[5,5]-3:C[5]-3:C[6a]-3:	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[6a]C[5])2	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]C[5]FF)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[6a]C[5])2{2|F<1>,9|C<3>}	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]C[5]FF){2|H<1>,8|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	110.8040	0.000	1	109.8285	1.903	2	109.8285	1.903	2	109.8285	1.903	2	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	4:3:3:	3:3:3:4:	3:3:3:	C[5,5]-4:C[5]-3:C[5]-3:	C[5]-3:C[5,5]-3:C[6a]-3:C[5]-4:	C[5,5]-3:C[5]-3:C[6a]-3:	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[6a]C[5])2	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]C[5]FF)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[6a]C[5])2{2|F<1>,9|C<3>}	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]C[5]FF){2|H<1>,8|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|F<1>,2|H<1>,8|C<3>}	108.8530	0.000	1	109.8285	1.903	2	109.8285	1.903	2	109.8285	1.903	2	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	4:3:3:	3:3:4:1:	3:3:3:	C[5,5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a])(N[5]C[6a]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5]C[5]CC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]2)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a])(N[5]C[6a]C[5]){1|O<1>,2|C<4>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5]C[5]CC)(H){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	114.3660	0.000	1	114.3660	0.000	1	114.3660	0.000	1	114.3660	0.000	1	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	4:3:3:	3:3:4:2:	3:3:2:	C[5,5]-4:C[5]-3:C[5]-3:	C[5,5]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5,5]-3:C[5]-3:C-2:	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[6a]C[5])(C[5]C[5]C)	C[5,5](C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])	C[5](C[5,5]C[5,5]C[5])(C[5]O[5]N)(CN)	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[6a]C[5])(C[5]C[5]C){1|C<2>,1|H<1>,1|N<3>,6|C<3>}	C[5,5](C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5]){1|C<2>,1|N<3>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]O[5]N)(CN){2|C<3>,2|C<4>}	103.3155	0.032	2	103.3155	0.001	2	103.3155	0.001	2	105.8098	8.733	4	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	4:3:3:	3:3:4:2:	3:3:2:	C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-3:C[6a]-3:C[5]-4:N[5]-2:	C[5,5]-3:C[6a]-3:N[5]-2:	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5]C[6a]N[5])(N[5]C[6a]C[5])	C[5,5](C[5,5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5])	C[5](C[5,5]C[5,5]N[5])(C[6a]C[6a]2)(N[5]N[5])	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5]C[6a]N[5])(N[5]C[6a]C[5]){1|O<1>,2|C<4>,6|C<3>}	C[5,5](C[5,5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5]){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]N[5])(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,2|H<1>,5|C<3>}	109.1140	0.000	1	109.1140	0.000	1	109.1140	0.000	1	105.8098	8.733	4	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	4:3:3:	3:3:4:2:	3:3:2:	C[5,5]-4:C[5]-3:N[5]-3:	C[6a]-3:C[5,5]-3:C[5]-4:N[5]-2:	C[5,5]-3:C[6a]-3:N[5]-2:	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5]C[6a]N[5])(N[5]C[6a]C[5])	C[5,5](C[6a]C[6a]N[6a])(C[5,5]C[5]N[5])(C[5]C[5]CC)(N[5]N[5])	C[5](C[5,5]C[5,5]N[5])(C[6a]C[6a]N[6a])(N[5]N[5])	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5]C[6a]N[5])(N[5]C[6a]C[5]){1|O<1>,2|C<4>,2|N<2>,4|C<3>}	C[5,5](C[6a]C[6a]N[6a])(C[5,5]C[5]N[5])(C[5]C[5]CC)(N[5]N[5]){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,5]C[5,5]N[5])(C[6a]C[6a]N[6a])(N[5]N[5]){1|C<4>,1|H<1>,5|C<3>}	107.4940	0.000	1	107.4940	0.000	1	107.4940	0.000	1	105.8098	8.733	4	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	4:3:3:	3:3:4:2:	3:4:3:	C[5,5]-4:C[5]-3:C[5]-3:	C[5,5]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5,5]-3:C[5]-4:C[6a]-3:	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[6a]C[5])(C[5]C[5]C)	C[5,5](C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[6a]C[5])(C[5]C[5]C){1|C<2>,1|H<1>,1|N<3>,6|C<3>}	C[5,5](C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5]){1|C<2>,1|N<3>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2){1|O<2>,2|C<2>,2|H<1>,7|C<3>}	111.5320	0.298	2	111.5320	0.089	2	111.5320	0.089	2	111.5320	0.089	2	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	4:3:3:	3:4:2:1:	3:3:1:	C[5,5]-4:C[5]-3:C[5]-3:	C[5,5]-3:P[5]-4:S[5]-2:H-1:	C[5,5]-3:C[5]-3:H-1:	C[5,5](C[5,5]P[5]S[5]H)(C[5]C[5]H)(C[5]N[5]H)	C[5,5](C[5,5]C[5]2)(P[5]N[5]CW)(S[5]C[5])(H)	C[5](C[5,5]C[5,5]C[5])(C[5]S[5]H)(H)	C[5,5](C[5,5]P[5]S[5]H)(C[5]C[5]H)(C[5]N[5]H){1|H<1>,1|W<6>,2|C<4>}	C[5,5](C[5,5]C[5]2)(P[5]N[5]CW)(S[5]C[5])(H){1|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]S[5]H)(H){1|N<3>,1|P<4>,2|H<1>}	111.9770	0.000	1	111.9770	0.000	1	111.9770	0.000	1	112.4750	0.496	2	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	4:3:3:	3:4:2:1:	3:3:1:	C[5,5]-4:C[5]-3:C[5]-3:	C[5,5]-3:P[5]-4:S[5]-2:H-1:	C[5,5]-3:N[5]-3:H-1:	C[5,5](C[5,5]P[5]S[5]H)(C[5]C[5]H)(C[5]N[5]H)	C[5,5](C[5,5]C[5]2)(P[5]N[5]CW)(S[5]C[5])(H)	C[5](C[5,5]C[5,5]C[5])(N[5]P[5]C)(H)	C[5,5](C[5,5]P[5]S[5]H)(C[5]C[5]H)(C[5]N[5]H){1|H<1>,1|W<6>,2|C<4>}	C[5,5](C[5,5]C[5]2)(P[5]N[5]CW)(S[5]C[5])(H){1|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5])(N[5]P[5]C)(H){1|C<3>,1|C<4>,1|S<2>,1|W<6>,2|H<1>}	112.9730	0.000	1	112.9730	0.000	1	112.9730	0.000	1	112.4750	0.496	2	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	4:3:3:	3:4:3:1:	3:3:3:	C[5,5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:B[5]-4:C[5,5]-3:H-1:	C[5,5]-3:O[5]-3: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)	C[5,5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]2O[5])(C[5,5]C[5]2)(H)	C[5](C[5,5]C[5,5]C[5])(O[5]B[5]Li)(CC[6a]C)	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>}	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>}	C[5](C[5,5]C[5,5]C[5])(O[5]B[5]Li)(CC[6a]C){1|C<4>,1|H<1>,4|C<3>}	109.3110	0.000	1	109.3110	0.000	1	109.3110	0.000	1	109.3110	0.000	1	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	4:3:3:	3:4:3:1:	3:3:4:	C[5,5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:B[5]-4:C[5,5]-3:H-1:	C[5,6a]-3:C[5,5]-3:C-4:	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)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(CCCH)	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>}	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>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(CCCH){1|B<4>,1|O<3>,2|H<1>,3|C<3>}	112.9150	0.000	1	112.9150	0.000	1	112.9150	0.000	1	112.9150	0.000	1	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	4:3:3:	3:4:3:1:	3:4:3:	C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5,5]-3:C[5,6]-4:C[6a]-3:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5,6]C[6a])(N[5]C[5]C)	C[5,5](C[5,5]C[5]N[5])(C[5]C[5,6]HH)(N[5]C[5]C)(H)	C[5](C[5,5]C[5,5]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5,6]C[6a])(N[5]C[5]C){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5]N[5])(C[5]C[5,6]HH)(N[5]C[5]C)(H){1|N<2>,4|C<3>}	C[5](C[5,5]C[5,5]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2){1|N<3>,6|C<3>,7|H<1>}	114.9140	0.000	1	114.9140	0.000	1	114.9140	0.000	1	114.9140	0.000	1	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	4:3:3:	3:4:3:2:	3:3:1:	C[5,5]-4:C[5,6a]-3:C[5]-3:	C[5,5]-3:C[5]-4:C[6a]-3:O[5]-2:	C[5,5]-3:C[5]-3:H-1:	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a])	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[5]O)(H)	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a]){1|O<1>,3|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[5]O)(H){1|H<1>,1|O<2>,4|C<3>}	112.2260	0.000	1	112.2260	0.000	1	112.2260	0.000	1	112.2260	0.000	1	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	4:3:3:	3:4:3:2:	3:3:2:	C[5,5]-4:C[5,6a]-3:C[5]-3:	C[5,5]-3:C[5]-4:C[6a]-3:O[5]-2:	C[5,5]-3:C[5]-3:O-2:	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a])	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[5]O)(OC)	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a]){1|O<1>,1|O<2>,2|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[5]O)(OC){1|H<1>,1|O<2>,4|C<3>}	110.6000	0.000	2	110.6000	0.000	2	110.6000	0.000	2	110.6000	0.000	2	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	4:3:3:	3:4:3:4:	3:3:4:	C[5,5]-4:P[5]-3:C[5]-3:	C[5,5]-3:Si[5]-4:C[5]-3:C-4:	C[5,5]-3:C[5]-3:C-4:	C[5,5](C[5,5]Si[5]C[5]C)(P[5]N[5]Cl)(C[5]C[5]C)	C[5,5](C[5,5]C[5]P[5])(Si[5]N[5]CC)(C[5]C[5]C)(CH3)	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(CH3)	C[5,5](C[5,5]Si[5]C[5]C)(P[5]N[5]Cl)(C[5]C[5]C){5|C<4>}	C[5,5](C[5,5]C[5]P[5])(Si[5]N[5]CC)(C[5]C[5]C)(CH3){1|Cl<1>,3|C<4>}	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(CH3){1|Cl<1>,1|Si<4>,1|N<3>,2|C<4>}	109.2860	0.000	2	109.2860	0.000	2	109.2860	0.000	2	109.2860	0.000	2	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	4:3:3:	3:4:4:1:	3:2:1:	C[5,5]-4:C[5]-3:C[5]-3:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-3:O[5]-2:O-1:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)(C[5]O[5]O)	C[5,5](C[5,5]C[5]2)(C[5]C[5]OO)(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,5]C[5])(O[5]C[5])(O)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)(C[5]O[5]O){1|C<4>,2|O<2>,3|H<1>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]OO)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,5]C[5])(O[5]C[5])(O){2|C<4>,4|H<1>}	109.1560	0.000	1	109.1560	0.000	1	109.1560	0.000	1	109.1560	0.000	1	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	4:3:3:	3:4:4:1:	3:4:1:	C[5,5]-4:C[5]-3:C[5]-3:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-3:C[5]-4:H-1:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)(C[5]O[5]O)	C[5,5](C[5,5]C[5]2)(C[5]C[5]OO)(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)(C[5]O[5]O){1|C<4>,2|O<2>,3|H<1>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]OO)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CH)(H){1|C<4>,1|H<1>,1|O<1>,3|O<2>}	113.5950	0.000	1	113.5950	0.000	1	113.5950	0.000	1	113.5950	0.000	1	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	4:3:3:	4:3:3:4:	3:3:4:	C[5,5]-4:P[5]-3:C[5]-3:	C[5,5]-4:C[5,5]-3:C[5]-3:C-4:	C[5,5]-3:C[5]-3:C-4:	C[5,5](C[5,5]C[5,5]C[5]C)(P[5]C[5,5]C[6a])(C[5]C[5]C)	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]P[5])(C[5]C[5]C)(CH3)	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(CH3)	C[5,5](C[5,5]C[5,5]C[5]C)(P[5]C[5,5]C[6a])(C[5]C[5]C){3|C<4>,4|C<3>}	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]P[5])(C[5]C[5]C)(CH3){3|C<3>,3|C<4>}	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(CH3){2|C<3>,3|C<4>}	110.4385	0.366	2	110.4385	0.134	2	110.4385	0.134	2	110.4385	0.134	2	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	4:3:4:	3:3:4:4:	3:3:3:	C[5,5]-4:C[5]-3:C[5]-4:	C[5,6a]-3:C[5,5]-3:C[5]-4:C-4:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2)(C[5]C[5]CC)(CCCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]C[6a])(C[5]C[5]HH){1|H<1>,2|C<4>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2)(C[5]C[5]CC)(CCCH){4|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2){3|C<4>,4|C<3>,5|H<1>}	113.2620	0.000	1	113.2620	0.000	1	113.2620	0.000	1	113.2620	0.000	1	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	4:3:4:	3:4:2:1:	3:3:3:	C[5,5]-4:C[5]-3:C[5]-4:	C[5,5]-3:C[5]-4:O[5]-2:H-1:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]C[5])(C[5]N[5]HH)	C[5,5](C[5,5]C[5]2)(C[5]N[5]CH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]O)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]C[5])(C[5]N[5]HH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,5](C[5,5]C[5]2)(C[5]N[5]CH)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	110.4270	0.000	1	110.4270	0.000	1	110.4270	0.000	1	110.4270	0.000	1	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	4:3:4:	3:4:3:1:	3:3:3:	C[5,5]-4:C[5]-3:C[5]-4:	C[5,6a]-3:C[5]-4:C[5,5]-3:H-1:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a])(C[5]C[5]CH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a])(C[5]C[5]CH){1|C<4>,2|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]C[5]2)(H){2|C<4>,3|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2){3|C<4>,4|C<3>,5|H<1>}	112.5865	1.162	4	112.5865	1.351	4	112.5865	1.351	4	112.5865	1.351	4	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	4:3:4:	3:4:4:1:	3:3:3:	C[5,6]-4:C[5]-3:C[5,5]-4:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-3:C[5a]-3:C[5]-3:	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5a]C[5])(C[5,5]C[5]2H)	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[5,6]HH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5,6])(C[5a]C[5a]S[5a])(C[5]C[5]O)	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5a]C[5])(C[5,5]C[5]2H){1|C<4>,1|O<1>,1|S<2>,3|C<3>,6|H<1>}	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5,6])(C[5a]C[5a]S[5a])(C[5]C[5]O){2|C<3>,3|C<4>,5|H<1>}	113.7442	0.340	4	113.7442	0.116	4	113.7442	0.116	4	113.8776	0.176	5	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	4:3:4:	3:4:4:1:	3:3:3:	C[5,6]-4:C[5]-3:C[5,5]-4:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5])(C[5,5]C[5]2H)	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[5,6]HH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5,6])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5])(C[5,5]C[5]2H){1|C<4>,1|O<1>,4|C<3>,6|H<1>}	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5,6])(C[6a]C[6a]2)(C[5]C[5]O){2|C<3>,3|C<4>,6|H<1>}	114.4110	0.000	1	114.4110	0.000	1	114.4110	0.000	1	113.8776	0.176	5	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	4:3:4:	4:3:3:1:	3:4:3:	C[5,5]-4:C[5]-3:C[5]-4:	B[5]-4:C[5,5]-3:C[5]-3:H-1:	C[5,5]-3:C[5]-4:C[6a]-3:	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)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]B[5]H)(C[6a]C[6a]2)	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>}	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>}	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>}	115.8730	0.383	2	115.8730	0.147	2	115.8730	0.147	2	115.8730	0.147	2	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	4:3:4:	4:3:4:1:	3:4:1:	C[5,5]-4:C[5]-3:C[5]-4:	C[5]-4:C[5,5]-3:C[5]-4:H-1:	C[5,5]-3:C[5,6]-4:H-1:	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]H)(C[5]C[5]HH)	C[5,5](C[5]C[5,6]CH)(C[5,5]C[5]2)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5])(C[5,6]C[5]O[6]2)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]H)(C[5]C[5]HH){1|C<3>,2|O<2>,5|H<1>}	C[5,5](C[5]C[5,6]CH)(C[5,5]C[5]2)(C[5]C[5]HH)(H){2|O<2>,5|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5,6]C[5]O[6]2)(H){1|C<3>,4|C<4>,4|H<1>}	112.7810	0.000	1	112.7810	0.000	1	112.7810	0.000	1	112.7810	0.000	1	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	4:3:4:	4:3:4:1:	4:3:1:	C[5,5]-4:C[5]-3:C[5]-4:	C[5,5]-4:C[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,5]-3:H-1:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,5]C[5]O)(C[5,5]C[5]2)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]C[5])(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]H)(C[5]C[5]HH){1|O<2>,2|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,5]C[5]O)(C[5,5]C[5]2)(C[5]C[5]HH)(H){2|C<3>,7|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	113.2160	0.000	1	113.2160	0.000	1	113.2160	0.000	1	113.2160	0.000	1	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	4:4:3:	3:3:2:2:	3:3:4:	C[5,5]-4:C[5]-4:C[5]-3:	N[5]-3:C[5,5]-3:O[5]-2:O-2:	C[5,5]-3:C[5]-3:C-4:	C[5,5](C[5,5]N[5]O[5]O)(C[5]C[5,5]HH)(C[5]C[5]C)	C[5,5](N[5]C[5]C[6])(C[5,5]C[5]2)(O[5]C[5,5])(OC)	C[5](C[5,5]C[5,5]C[5])(C[5]N[5]O)(CC[6a]HH)	C[5,5](C[5,5]N[5]O[5]O)(C[5]C[5,5]HH)(C[5]C[5]C){1|C<4>,1|O<1>,2|C<3>}	C[5,5](N[5]C[5]C[6])(C[5,5]C[5]2)(O[5]C[5,5])(OC){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]N[5]O)(CC[6a]HH){2|C<4>,2|H<1>,2|O<2>}	110.9720	0.000	1	110.9720	0.000	1	110.9720	0.000	1	110.9720	0.000	1	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	4:4:3:	3:3:3:4:	3:3:4:	C[5,5]-4:Si[5]-4:C[5]-3:	C[5,5]-3:As[5]-3:C[5]-3:C-4:	C[5,5]-3:C[5]-3:C-4:	C[5,5](C[5,5]As[5]C[5]C)(Si[5]N[5]CC)(C[5]C[5]C)	C[5,5](C[5,5]Si[5]C[5])(As[5]N[5]Cl)(C[5]C[5]C)(CH3)	C[5](C[5,5]C[5,5]Si[5])(C[5]C[5]C)(CH3)	C[5,5](C[5,5]As[5]C[5]C)(Si[5]N[5]CC)(C[5]C[5]C){1|Cl<1>,3|C<4>}	C[5,5](C[5,5]Si[5]C[5])(As[5]N[5]Cl)(C[5]C[5]C)(CH3){5|C<4>}	C[5](C[5,5]C[5,5]Si[5])(C[5]C[5]C)(CH3){1|As<3>,1|N<3>,4|C<4>}	107.4690	0.000	2	107.4690	0.000	2	107.4690	0.000	2	107.4690	0.000	2	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	4:4:3:	3:3:4:1:	3:4:1:	C[5,5]-4:S[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-3:C[5]-4:H-1:	C[5,5]-3:C[5]-4:O-1:	C[5,5](C[5,5]C[5,6a]C[5]H)(S[5]C[5,6a]NO)(C[5]C[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5])(C[5]C[5]CH)(H)	C[5](C[5,5]C[5,5]S[5])(C[5]C[5]HN)(O)	C[5,5](C[5,5]C[5,6a]C[5]H)(S[5]C[5,6a]NO)(C[5]C[5]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5])(C[5]C[5]CH)(H){2|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[5](C[5,5]C[5,5]S[5])(C[5]C[5]HN)(O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	113.7530	0.000	1	113.7530	0.000	1	113.7530	0.000	1	113.7530	0.000	1	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	4:4:3:	3:3:4:1:	3:4:3:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5a]-3:C[5,5]-3:C[5]-4:H-1:	C[5,5]-3:C[5]-4:C-3:	C[5,5](C[5,5]C[5,5a]C[5]H)(C[5]N[5,5a]HH)(C[5]C[5]C)	C[5,5](C[5,5a]N[5,5a]C[5a])(C[5,5]C[5]2)(C[5]C[5]CC)(H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(COO)	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>}	C[5,5](C[5,5a]N[5,5a]C[5a])(C[5,5]C[5]2)(C[5]C[5]CC)(H){3|C<3>,5|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(COO){1|C<2>,1|N<3>,2|C<3>,3|H<1>}	111.8948	0.173	4	111.8948	0.030	4	111.8948	0.030	4	111.8948	0.030	4	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	4:4:3:	3:3:4:3:	3:4:4:	C[5,5]-4:C[5,5]-4:C[5]-3:	C[5,5]-3:C[5]-3:C[5]-4:C-3:	C[5,5]-3:C[5]-4:C-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2C)(C[5]C[5]C)	C[5,5](C[5,5]C[5,5]C[5])(C[5]C[5,5]O)(C[5]C[5]HH)(COO)	C[5](C[5,5]C[5,5]2)(C[5]C[5]HH)(CH3)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2C)(C[5]C[5]C){1|O<1>,2|C<4>,7|H<1>}	C[5,5](C[5,5]C[5,5]C[5])(C[5]C[5,5]O)(C[5]C[5]HH)(COO){3|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]2)(C[5]C[5]HH)(CH3){2|C<3>,2|C<4>,3|H<1>}	112.5730	0.017	2	112.5730	0.000	2	112.5730	0.000	2	118.1659	10.121	9	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	4:4:3:	3:3:4:3:	3:4:4:	C[5,5]-4:C[5]-4:C[5]-3:	C[5a]-3:C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:P[5]-4:C-4:	C[5,5](C[5,5]C[5a]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5,5](C[5a]C[5a]N[5a])(C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Au)(CC[5a]CC)	C[5,5](C[5,5]C[5a]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|Au<2>,1|N<3>,3|C<3>,4|H<1>}	C[5,5](C[5a]C[5a]N[5a])(C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|Au<2>,1|C<4>,3|C<3>,6|H<1>}	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Au)(CC[5a]CC){2|C<4>,2|H<1>,4|C<3>}	119.6360	0.000	1	119.6360	0.000	1	119.7639	0.089	7	118.1659	10.121	9	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	4:4:3:	3:3:4:3:	3:4:4:	C[5,5]-4:C[5]-4:C[5]-3:	C[5a]-3:C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:P[5]-4:C-4:	C[5,5](C[5,5]C[5a]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5,5](C[5a]C[5a]N[5a])(C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Pd)(CC[5a]CC)	C[5,5](C[5,5]C[5a]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|Pd<4>,1|N<3>,3|C<3>,4|H<1>}	C[5,5](C[5a]C[5a]N[5a])(C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|Pd<4>,1|C<4>,3|C<3>,6|H<1>}	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Pd)(CC[5a]CC){2|C<4>,2|H<1>,4|C<3>}	119.9027	0.314	4	119.9027	0.099	4	119.7639	0.089	7	118.1659	10.121	9	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	4:4:3:	3:3:4:3:	3:4:4:	C[5,5]-4:C[5]-4:C[5]-3:	C[5a]-3:C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:P[5]-4:C-4:	C[5,5](C[5,5]C[5a]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5,5](C[5a]C[5a]N[5a])(C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]S)(CC[5a]CC)	C[5,5](C[5,5]C[5a]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|N<3>,1|S<1>,3|C<3>,4|H<1>}	C[5,5](C[5a]C[5a]N[5a])(C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|C<4>,1|S<1>,3|C<3>,6|H<1>}	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]S)(CC[5a]CC){2|C<4>,2|H<1>,4|C<3>}	119.5500	0.232	2	119.5500	0.054	2	119.7639	0.089	7	118.1659	10.121	9	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	4:4:3:	3:4:2:1:	3:4:4:	C[5,6]-4:C[5,5]-4:C[5]-3:	C[5,5]-3:C[5]-4:O[5]-2:H-1:	C[5,5]-3:C[5]-4:C-4:	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]C)	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[5]HH)(O[5]C[5,6])(H)	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5a]C[5]H)(CH3)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]C){1|C<3>,3|C<4>,5|H<1>}	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[5]HH)(O[5]C[5,6])(H){1|C<3>,2|H<1>,4|C<4>}	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5a]C[5]H)(CH3){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	111.8260	0.345	3	111.8260	0.119	3	111.8260	0.119	3	111.8260	0.119	3	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	4:4:3:	3:4:3:1:	3:3:1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:C[5]-3:H-1:	C[5,5]-3:C[5]-3:H-1:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(C[5]C[5]H)	C[5,5](C[5,5]C[5]2)(C[5]N[5]CC)(C[5]C[5]C)(H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]O)(H)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(C[5]C[5]H){1|C<4>,1|O<1>,3|C<3>}	C[5,5](C[5,5]C[5]2)(C[5]N[5]CC)(C[5]C[5]C)(H){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]O)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	112.9960	0.000	1	112.9960	0.000	1	112.9960	0.000	1	112.9960	0.000	1	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	4:4:3:	3:4:3:1:	3:4:1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5,5]-3:C[5]-4:H-1:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]C[5]H)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	C[5](C[5,5]C[5,5]C[5])(C[5]N[5]CH)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]C[5]H){1|C<3>,1|S<4>,5|H<1>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(N[5]C[5]S)(H){1|C<3>,6|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]N[5]CH)(H){1|S<4>,2|C<4>,3|H<1>}	112.4957	0.076	3	112.4957	0.006	3	112.4957	0.006	3	112.4957	0.006	3	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	4:4:3:	3:4:3:1:	4:3:1:	C[5,5]-4:C[5]-4:C[5]-3:	N[5,5a]-3:C[5,5,6]-4:C[5,5]-3:H-1:	C[5,5,6]-4:C[5,5]-3:H-1:	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)	C[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,5]C[5,5]C[5])(H)	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>}	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>}	C[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,5]C[5,5]C[5])(H){2|H<1>,2|N<3>,3|C<3>,3|C<4>}	112.5720	0.000	1	112.5720	0.000	1	112.5720	0.000	1	112.5720	0.000	1	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	4:4:3:	3:4:3:3:	3:2:4:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-3:Si[5]-4:C[5,5]-3:C[6a]-3:	C[5,5]-3:N[5]-2:C-4:	C[5,5](C[5,5]C[6a]Si[5]C[5])(C[5]N[5]ZrC)(C[5]N[5]C)	C[5,5](C[5]C[6a]N[5])(Si[5]N[5]CC)(C[5,5]C[5]2)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5])(N[5]Si[5])(CC3)	C[5,5](C[5,5]C[6a]Si[5]C[5])(C[5]N[5]ZrC)(C[5]N[5]C){2|C<4>,3|C<3>}	C[5,5](C[5]C[6a]N[5])(Si[5]N[5]CC)(C[5,5]C[5]2)(C[6a]C[6a]2){1|Zr<14>,1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,5]C[5])(N[5]Si[5])(CC3){1|Zr<14>,1|N<3>,2|C<4>,3|C<3>}	115.9810	0.000	1	115.9810	0.000	1	115.9810	0.000	1	115.9810	0.000	1	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	4:4:3:	3:4:3:3:	3:3:4:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-3:Si[5]-4:C[5,5]-3:C[6a]-3:	C[5,5]-3:N[5]-3:C-4:	C[5,5](C[5,5]C[6a]Si[5]C[5])(C[5]N[5]ZrC)(C[5]N[5]C)	C[5,5](C[5]C[6a]N[5])(Si[5]N[5]CC)(C[5,5]C[5]2)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5])(N[5]Si[5]H)(CC3)	C[5,5](C[5,5]C[6a]Si[5]C[5])(C[5]N[5]ZrC)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	C[5,5](C[5]C[6a]N[5])(Si[5]N[5]CC)(C[5,5]C[5]2)(C[6a]C[6a]2){1|Zr<14>,1|C<4>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,5]C[5])(N[5]Si[5]H)(CC3){1|Zr<14>,1|N<3>,2|C<4>,3|C<3>}	116.0860	0.000	1	116.0860	0.000	1	116.0860	0.000	1	116.0860	0.000	1	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	4:4:3:	3:4:4:1:	3:3:1:	C[5,5]-4:C[5,5]-4:C[5]-3:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-3:C[5]-3:Cl-1:	C[5,5](C[5,5]C[5,6]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]Cl)	C[5,5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]2)(C[5]C[5]O)(Cl)	C[5,5](C[5,5]C[5,6]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]Cl){1|O<1>,1|O<2>,5|H<1>,6|C<4>}	C[5,5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(C[5]C[5]HH)(H){1|Cl<1>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5,5]C[5,5]2)(C[5]C[5]O)(Cl){1|H<1>,6|C<4>}	110.7960	0.000	1	110.7960	0.000	1	110.7960	0.000	1	112.6557	2.613	3	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	4:4:3:	3:4:4:1:	3:3:1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-3:C[5]-3:H-1:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]H)	C[5,5](C[5,5]C[5]2)(C[5]C[5]CH)2(H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]O)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]CH)2(H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]O)(H){3|C<4>,4|H<1>}	113.4480	0.000	1	113.4480	0.000	1	113.5855	0.038	2	112.6557	2.613	3	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	4:4:3:	3:4:4:1:	3:3:1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-3:C[5]-3:H-1:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]H)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]O)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<4>,1|O<1>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]O)(H){2|C<4>,5|H<1>}	113.7230	0.000	1	113.7230	0.000	1	113.5855	0.038	2	112.6557	2.613	3	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	4:4:3:	3:4:4:1:	3:3:4:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-3:C[5]-3:C-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(C[5]C[5]C)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]O)(CH3)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(C[5]C[5]C){1|C<3>,1|O<1>,1|S<4>,3|H<1>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|C<4>,1|O<1>,1|S<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]O)(CH3){1|C<4>,1|N<3>,5|H<1>}	115.4590	0.000	1	115.4590	0.000	1	115.4590	0.000	1	114.4640	1.980	2	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	4:4:3:	3:4:4:1:	3:3:4:	C[5,6]-4:C[5,5]-4:C[5]-3:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-3:C[5]-3:C-4:	C[5,5](C[5,6]C[6,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]C)	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5]O)(CCHH)	C[5,5](C[5,6]C[6,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]C){1|C<3>,1|N<3>,1|O<1>,3|C<4>,7|H<1>}	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5]O)(CCHH){3|H<1>,4|C<4>}	113.4690	0.000	1	113.4690	0.000	1	113.4690	0.000	1	114.4640	1.980	2	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	4:4:3:	3:4:4:1:	3:4:4:	C[5,5,6]-4:C[5,5]-4:C[5]-3:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-3:C[5]-4:C-4:	C[5,5](C[5,5,6]C[5,6]2C[5])(C[5,5]C[5]2H)(C[5]C[5]C)	C[5,5](C[5,5]C[5,5,6]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5,6]C[5,5])(C[5]C[5]HH)(CCHH)	C[5,5](C[5,5,6]C[5,6]2C[5])(C[5,5]C[5]2H)(C[5]C[5]C){1|C<3>,1|N<3>,5|C<4>,7|H<1>}	C[5,5](C[5,5]C[5,5,6]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H){3|C<4>,4|H<1>}	C[5](C[5,5]C[5,5,6]C[5,5])(C[5]C[5]HH)(CCHH){3|H<1>,4|C<4>}	112.5880	0.427	2	112.5880	0.182	2	112.5880	0.182	2	112.2460	0.384	6	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	4:4:3:	3:4:4:1:	3:4:4:	C[5,6,6]-4:C[5,5]-4:C[5]-3:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-3:C[5]-4:C-4:	C[5,5](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]C)	C[5,5](C[5,5]C[5,6,6]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,6,6]C[5,5])(C[5]C[5]HH)(CCHH)	C[5,5](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]C){1|C<3>,1|N<3>,1|O<2>,4|C<4>,7|H<1>}	C[5,5](C[5,5]C[5,6,6]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H){3|C<4>,4|H<1>}	C[5](C[5,5]C[5,6,6]C[5,5])(C[5]C[5]HH)(CCHH){3|H<1>,4|C<4>}	112.2270	0.000	1	112.2975	0.010	2	112.2975	0.010	2	112.2460	0.384	6	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	4:4:3:	3:4:4:1:	3:4:4:	C[5,6,6]-4:C[5,5]-4:C[5]-3:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-3:C[5]-4:C-4:	C[5,5](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]C)	C[5,5](C[5,5]C[5,6,6]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,6,6]C[5,5])(C[5]C[5]HH)(CCHH)	C[5,5](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]C){1|C<3>,1|N<3>,4|C<4>,8|H<1>}	C[5,5](C[5,5]C[5,6,6]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H){3|C<4>,4|H<1>}	C[5](C[5,5]C[5,6,6]C[5,5])(C[5]C[5]HH)(CCHH){3|H<1>,4|C<4>}	112.3680	0.000	1	112.2975	0.010	2	112.2975	0.010	2	112.2460	0.384	6	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	4:4:3:	3:4:4:1:	3:4:4:	C[5,6]-4:C[5,5]-4:C[5]-3:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-3:C[5]-4:C-4:	C[5,5](C[5,6]C[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]C)	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(CCHH)	C[5,5](C[5,6]C[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]C){1|C<3>,1|O<1>,4|C<4>,7|H<1>}	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(CCHH){1|C<3>,3|C<4>,3|H<1>}	111.0840	0.000	1	111.0840	0.000	1	111.8525	1.181	2	112.2460	0.384	6	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	4:4:3:	3:4:4:1:	3:4:4:	C[5,6]-4:C[5,5]-4:C[5]-3:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-3:C[5]-4:C-4:	C[5,5](C[5,6]C[6,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]C)	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(CCHH)	C[5,5](C[5,6]C[6,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]C){1|C<3>,1|O<1>,4|C<4>,7|H<1>}	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(CCHH){1|C<3>,3|C<4>,3|H<1>}	112.6210	0.000	1	112.6210	0.000	1	111.8525	1.181	2	112.2460	0.384	6	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	4:4:3:	3:4:4:3:	3:4:1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:C[5]-4:C-3:	C[5,5]-3:C[5]-4:H-1:	C[5,5](C[5,5]C[5]2C)(C[5]N[5]HH)(C[5]C[5]H)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]HH)(CCH)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5]2C)(C[5]N[5]HH)(C[5]C[5]H){1|S<4>,6|H<1>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]HH)(CCH){1|S<4>,5|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	112.1705	0.675	2	112.1705	0.456	2	112.1705	0.456	2	112.1705	0.456	2	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	4:4:3:	4:3:3:4:	3:3:4:	C[5,5]-4:P[5]-4:C[5]-3:	C[5,5]-4:C[5,5]-3:C[5]-3:C-4:	C[5,5]-3:C[5]-3:C-4:	C[5,5](C[5,5]C[5,5]C[5]C)(P[5]C[5,5]C[6a]S)(C[5]C[5]C)	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]P[5])(C[5]C[5]C)(CH3)	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(CH3)	C[5,5](C[5,5]C[5,5]C[5]C)(P[5]C[5,5]C[6a]S)(C[5]C[5]C){3|C<4>,4|C<3>}	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]P[5])(C[5]C[5]C)(CH3){1|S<1>,3|C<3>,3|C<4>}	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(CH3){1|S<1>,2|C<3>,3|C<4>}	110.7035	0.385	2	110.7035	0.149	2	110.5110	0.355	8	110.5110	0.355	8	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	4:4:3:	4:3:3:4:	3:3:4:	C[5,5]-4:P[5]-4:C[5]-3:	C[5,5]-4:C[5,5]-3:C[5]-3:C-4:	C[5,5]-3:C[5]-3:C-4:	C[5,5](C[5,5]C[5,5]C[5]C)(P[5]C[5,5]C[6a]Se)(C[5]C[5]C)	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]P[5])(C[5]C[5]C)(CH3)	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(CH3)	C[5,5](C[5,5]C[5,5]C[5]C)(P[5]C[5,5]C[6a]Se)(C[5]C[5]C){3|C<4>,4|C<3>}	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]P[5])(C[5]C[5]C)(CH3){1|Se<1>,3|C<3>,3|C<4>}	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(CH3){1|Se<1>,2|C<3>,3|C<4>}	110.5125	0.954	2	110.5125	0.910	2	110.5110	0.355	8	110.5110	0.355	8	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	4:4:3:	4:3:3:4:	3:3:4:	C[5,5]-4:P[5]-4:C[5]-3:	C[5,5]-4:C[5,5]-3:C[5]-3:C-4:	C[5,5]-3:C[5]-3:C-4:	C[5,5](C[5,5]C[5,5]C[5]C)(P[5]C[5,5]C[6a]Ta)(C[5]C[5]C)	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]P[5])(C[5]C[5]C)(CH3)	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(CH3)	C[5,5](C[5,5]C[5,5]C[5]C)(P[5]C[5,5]C[6a]Ta)(C[5]C[5]C){3|C<4>,4|C<3>}	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]P[5])(C[5]C[5]C)(CH3){1|Ta<10>,3|C<3>,3|C<4>}	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(CH3){1|Ta<10>,2|C<3>,3|C<4>}	110.4140	0.662	4	110.4140	0.439	4	110.5110	0.355	8	110.5110	0.355	8	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,5]	C[5]	4:4:3:	4:3:4:3:	3:2:1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5,5]-3:C[5]-4:C-3:	C[5,5]-3:S[5]-2:H-1:	C[5,5](C[5,5]C[5]2C)(C[5]N[5]HH)(C[5]S[5]H)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2)(C[5]S[5]HH)(COO)	C[5](C[5,5]C[5,5]C[5])(S[5]C[5])(H)	C[5,5](C[5,5]C[5]2C)(C[5]N[5]HH)(C[5]S[5]H){1|C<3>,1|S<4>,3|H<1>}	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2)(C[5]S[5]HH)(COO){1|S<4>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5])(S[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	114.9500	0.069	2	114.9500	0.005	2	114.9500	0.005	2	114.9500	0.005	2	112.2282	8.501	118	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,6]	C[5,5]	3:4:4:	3:3:4:4:	4:3:4:	C[5,5]-3:C[5,6]-4:C[5]-4:	C[5,5]-3:C[6]-3:C[5]-4:C[6]-4:	C[5,6]-4:C[5,5]-3:C[5]-4:	C[5,5](C[5,5]C[5,6]C[5])(C[5,6]C[5]C[6]2)(C[5]C[5]HH)	C[5,6](C[5,5]C[5,5]C[5])(C[6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,5](C[5,6]C[5,6]C[5]C[6])(C[5,5]C[5,6]C[5])(C[5]C[5]CH)	C[5,5](C[5,5]C[5,6]C[5])(C[5,6]C[5]C[6]2)(C[5]C[5]HH){2|C<3>,4|C<4>,7|H<1>}	C[5,6](C[5,5]C[5,5]C[5])(C[6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,5|H<1>}	C[5,5](C[5,6]C[5,6]C[5]C[6])(C[5,5]C[5,6]C[5])(C[5]C[5]CH){1|C<3>,1|O<1>,5|C<4>,6|H<1>}	113.6540	0.000	1	113.6540	0.000	1	113.6540	0.000	1	113.6540	0.000	1	112.4324	1.139	5	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,6]	C[5,5]	4:3:3:	3:4:4:2:	3:4:3:	C[5,6]-4:C[5,5]-3:N[5]-3:	C[5,5]-3:C[6]-4:C[6]-4:O[5]-2:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5](C[5,6]C[6]2O[5])(C[5,5]C[5]2)(N[5]C[5]S)	C[5,6](C[5,5]C[5,5]N[5])(C[6]C[6]HH)2(O[5]C[5])	C[5,5](C[5,5]C[5,6]N[5])(C[5]C[5]HH)(C[5]O[5]O)	C[5,5](C[5,6]C[6]2O[5])(C[5,5]C[5]2)(N[5]C[5]S){1|O<1>,2|C<4>,8|H<1>}	C[5,6](C[5,5]C[5,5]N[5])(C[6]C[6]HH)2(O[5]C[5]){1|O<1>,1|S<4>,3|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,6]N[5])(C[5]C[5]HH)(C[5]O[5]O){1|S<4>,2|C<4>,2|H<1>}	111.6537	0.020	3	111.6537	0.000	3	111.6537	0.000	3	111.6537	0.000	3	112.4324	1.139	5	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5,6]	C[5,5]	4:3:4:	4:3:3:4:	3:4:4:	C[5,6]-4:C[5,5]-3:C[5]-4:	C[5,6]-4:C[5,5]-3:C[6]-3:C[5]-4:	C[5,5]-3:C[5,6]-4:C[5]-4:	C[5,5](C[5,6]C[5,6]C[5]C[6])(C[5,5]C[5,6]C[5])(C[5]C[5]CH)	C[5,6](C[5,6]C[5,6,6]C[5]C)(C[5,5]C[5,5]C[5])(C[6]C[6,6]O)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,6]C[5])(C[5,6]C[5]C[6]2)(C[5]C[5]HH)	C[5,5](C[5,6]C[5,6]C[5]C[6])(C[5,5]C[5,6]C[5])(C[5]C[5]CH){1|C<3>,1|O<1>,5|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6,6]C[5]C)(C[5,5]C[5,5]C[5])(C[6]C[6,6]O)(C[5]C[5]HH){1|N<3>,6|H<1>,7|C<4>}	C[5,5](C[5,5]C[5,6]C[5])(C[5,6]C[5]C[6]2)(C[5]C[5]HH){2|C<3>,4|C<4>,7|H<1>}	113.5470	0.000	1	113.5470	0.000	1	113.5470	0.000	1	113.5470	0.000	1	112.4324	1.139	5	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5,5]	3:3:4:	3:2:1:1:	3:4:3:	C[5]-3:C[5,5]-3:C[5]-4:	C[5,5]-3:O[5]-2:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(C[5]O[5]HH)	C[5](C[5,5]C[5,5]C[5])(O[5]C[5])(H)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]O)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(C[5]O[5]HH){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5])(O[5]C[5])(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]O){2|C<3>,2|H<1>}	109.2720	0.000	1	109.2720	0.000	1	109.2720	0.000	1	109.2720	0.000	1	111.4715	3.585	193	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5,5]	3:3:4:	3:2:4:4:	3:3:3:	C[5,5]-3:C[5]-3:C[5]-4:	C[5,5]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:C[5,5]-3:C[5]-3:	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a])(C[5]O[5]CC)	C[5](C[5,5]C[5,5]C[5])(O[5]C[5])(CH3)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2)(C[5]O[5]C)	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a])(C[5]O[5]CC){1|C<4>,4|C<3>}	C[5](C[5,5]C[5,5]C[5])(O[5]C[5])(CH3)2{1|C<4>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2)(C[5]O[5]C){1|H<1>,2|C<4>,3|C<3>}	108.5890	0.000	1	108.5890	0.000	1	108.5890	0.000	1	108.2145	0.281	2	111.4715	3.585	193	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5,5]	3:3:4:	3:2:4:4:	3:3:3:	C[5,5]-3:C[5]-3:C[5]-4:	C[5,5]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:C[5]-3:C[5,5]-3:	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a])(C[5]O[5]CC)	C[5](C[5,5]C[5,5]C[5])(O[5]C[5])(CH3)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5])(C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a])(C[5]O[5]CC){5|C<3>}	C[5](C[5,5]C[5,5]C[5])(O[5]C[5])(CH3)2{4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5])(C[5,5]C[5]2){1|H<1>,2|C<4>,5|C<3>}	107.8400	0.000	1	107.8400	0.000	1	107.8400	0.000	1	108.2145	0.281	2	111.4715	3.585	193	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5,5]	3:3:4:	3:3:1:1:	3:3:3:	C[5,5]-3:C[5]-3:C[5]-4:	C[5,5]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C[5,5]-3:	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a])(C[5]N[5]HH)	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]S)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a])(C[5]N[5]HH){1|S<4>,5|C<3>}	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]S)(H)2{4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5,5]C[5]2){1|S<4>,3|H<1>,5|C<3>}	108.6790	0.000	1	108.6790	0.000	1	108.6790	0.000	1	108.6790	0.000	1	111.4715	3.585	193	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5,5]	3:3:4:	3:3:1:1:	3:3:4:	C[5,6a]-3:C[5,5]-3:C[5]-4:	C[5,5]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-3:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH){3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH){3|H<1>,4|C<3>}	112.6915	0.610	4	112.6915	0.372	4	112.6915	0.372	4	112.6915	0.372	4	111.4715	3.585	193	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5,5]	3:3:4:	3:3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-3:C[5]-4:	C[5,5]-3:C[5]-3:C-3:H-1:	C[5,6a]-3:C[5,5]-3:C[5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5]CH)	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[5]C)(CC[6a]O)(H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5]CH){1|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[5]C)(CC[6a]O)(H){4|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]){2|H<1>,7|C<3>}	108.9390	0.000	1	108.9390	0.000	1	108.9390	0.000	1	108.9390	0.000	1	111.4715	3.585	193	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5,5]	3:3:4:	3:3:3:3:	4:3:3:	C[5,5]-3:C[5,6a]-3:C[5]-4:	C[5,5]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[5,5]-3:	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2	C[5,5](C[5,5]C[5,6a]2C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2){10|C<3>,1|H<1>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2{1|C<4>,5|H<1>,8|C<3>}	C[5,5](C[5,5]C[5,6a]2C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]){10|C<3>,1|H<1>}	112.1320	0.000	1	112.1320	0.000	1	112.1320	0.000	1	112.1320	0.000	1	111.4715	3.585	193	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5,5]	3:3:4:	3:3:4:4:	3:3:3:	C[5,5]-3:N[5]-3:C[5]-4:	C[5,5]-3:C[5]-3:C-4:C-4:	C[5,5]-3:N[5]-3:C[5]-3:	C[5,5](C[5,5]C[5]N[5])(N[5]C[6a]P[5])(C[5]C[5]CC)	C[5](C[5,5]C[5,5]N[5])(C[5]N[5]O)(CH3)2	C[5,5](C[5,5]C[5]N[5])(N[5]C[6a]C[5])(C[5]P[5]C)	C[5,5](C[5,5]C[5]N[5])(N[5]C[6a]P[5])(C[5]C[5]CC){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5,5]C[5,5]N[5])(C[5]N[5]O)(CH3)2{1|P<3>,3|C<3>}	C[5,5](C[5,5]C[5]N[5])(N[5]C[6a]C[5])(C[5]P[5]C){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	111.8890	0.000	1	111.8890	0.000	1	111.8890	0.000	1	111.8890	0.000	1	111.4715	3.585	193	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5,5]	3:3:4:	3:3:4:4:	4:3:3:	C[5,6a]-3:C[5,5]-3:C[5]-4:	C[5,5]-3:C[5]-3:C-4:C-4:	C[5]-4:C[5,5]-3:N[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5]C[5]CC)	C[5](C[5,5]C[5,6a]C[5,5])(C[5]N[5]O)(CH3)2	C[5,5](C[5]C[5,6a]C[6a]H)(C[5,5]C[5,6a]C[5])(N[5]C[6a]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5]C[5]CC){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5]N[5]O)(CH3)2{1|C<4>,3|C<3>}	C[5,5](C[5]C[5,6a]C[6a]H)(C[5,5]C[5,6a]C[5])(N[5]C[6a]C[5]){1|O<1>,2|C<4>,6|C<3>}	110.6125	0.182	2	110.6125	0.033	2	110.6125	0.033	2	110.6125	0.033	2	111.4715	3.585	193	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5,5]	3:3:4:	3:4:1:1:	3:2:3:	C[5,5]-3:C[5]-3:C[5]-4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:N[5]-2:N[5]-3:	C[5,5](C[5,5]N[5]2)(C[5]C[5,5]H)(C[5]C[5]HH)	C[5](C[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	C[5,5](C[5,5]C[5]2)(N[5]C[5,5])(N[5]C[5]S)	C[5,5](C[5,5]N[5]2)(C[5]C[5,5]H)(C[5]C[5]HH){1|C<4>,1|O<2>,1|S<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|N<2>,1|S<4>}	C[5,5](C[5,5]C[5]2)(N[5]C[5,5])(N[5]C[5]S){1|C<4>,1|O<2>,5|H<1>}	110.2860	0.000	1	110.2860	0.000	1	110.2860	0.000	1	110.2860	0.000	1	111.4715	3.585	193	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5,5]	3:3:4:	3:4:1:1:	3:3:3:	C[5,5]-3:C[5]-3:C[5]-4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-3:C[5]-3:	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]H)(C[5]C[5]HH)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2)(C[5]C[5]H)	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]H)(C[5]C[5]HH){2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(H)2{2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2)(C[5]C[5]H){3|C<3>,5|H<1>}	109.1220	0.000	1	109.1220	0.000	1	109.1220	0.000	1	108.5377	0.365	3	111.4715	3.585	193	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5,5]	3:3:4:	3:4:1:1:	3:3:3:	C[5,5]-3:C[5]-3:C[5]-4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C[5,5]-3:	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]H)(C[5]C[5]HH)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]H)(C[5]C[5]HH){2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5,5]C[5]2){4|C<3>,6|H<1>}	108.2455	0.466	2	108.2455	0.217	2	108.2455	0.217	2	108.5377	0.365	3	111.4715	3.585	193	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5,5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5,5]-3:C[5]-4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5,5]-3:C[5]-4:	C[5,5](C[5]C[5]P[5])(C[5,5]C[5]2)(C[5]C[5]HH)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5,5](C[5]C[6a]P[5])(C[5,5]C[5]2)(C[5]C[5]HH)	C[5,5](C[5]C[5]P[5])(C[5,5]C[5]2)(C[5]C[5]HH){1|Pd<4>,1|N<3>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|P<4>,2|C<3>,2|H<1>}	C[5,5](C[5]C[6a]P[5])(C[5,5]C[5]2)(C[5]C[5]HH){1|Pd<4>,4|C<3>,4|H<1>}	109.8430	0.000	1	109.8430	0.000	1	109.6684	0.361	12	109.6684	0.361	12	111.4715	3.585	193	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5,5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5,5]-3:C[5]-4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5,5]-3:C[5]-4:	C[5,5](C[5]C[5a]P[5])(C[5,5]C[5]2)(C[5]C[5]HH)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5a]P[5])(C[5,5]C[5]2)(C[5]C[5]HH)	C[5,5](C[5]C[5a]P[5])(C[5,5]C[5]2)(C[5]C[5]HH){1|N<2>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|P<4>,2|C<3>,2|H<1>}	C[5,5](C[5]C[5a]P[5])(C[5,5]C[5]2)(C[5]C[5]HH){1|N<2>,1|O<1>,3|C<3>,4|H<1>}	109.2340	0.447	2	109.2340	0.200	2	109.6684	0.361	12	109.6684	0.361	12	111.4715	3.585	193	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5,5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5,5]-3:C[5]-4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5,5]-3:C[5]-4:	C[5,5](C[5]C[5a]Se[5])(C[5,5]C[5]2)(C[5]C[5]HH)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(H)2	C[5,5](C[5]C[5a]Se[5])(C[5,5]C[5]2)(C[5]C[5]HH)	C[5,5](C[5]C[5a]Se[5])(C[5,5]C[5]2)(C[5]C[5]HH){1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(H)2{1|Se<2>,2|C<3>,2|H<1>}	C[5,5](C[5]C[5a]Se[5])(C[5,5]C[5]2)(C[5]C[5]HH){1|S<2>,2|C<3>,2|C<4>,2|H<1>}	110.0348	0.541	4	110.0348	0.292	4	109.6684	0.361	12	109.6684	0.361	12	111.4715	3.585	193	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5,5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5,5]-3:C[5]-4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5,5]-3:C[5]-4:	C[5,5](C[5]C[6a]P[5])(C[5,5]C[5]2)(C[5]C[5]HH)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5,5](C[5]C[5]P[5])(C[5,5]C[5]2)(C[5]C[5]HH)	C[5,5](C[5]C[6a]P[5])(C[5,5]C[5]2)(C[5]C[5]HH){1|Pd<4>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|P<4>,2|C<3>,2|H<1>}	C[5,5](C[5]C[5]P[5])(C[5,5]C[5]2)(C[5]C[5]HH){1|Pd<4>,1|N<3>,3|C<3>,4|H<1>}	108.3990	0.000	1	108.3990	0.000	1	109.6684	0.361	12	109.6684	0.361	12	111.4715	3.585	193	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5,5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5,5]-3:C[5]-4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5,5]-3:C[5]-4:	C[5,5](C[5]C[6a]P[5])(C[5,5]C[5]2)(C[5]C[5]HH)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5,5](C[5]C[6a]P[5])(C[5,5]C[5]2)(C[5]C[5]HH)	C[5,5](C[5]C[6a]P[5])(C[5,5]C[5]2)(C[5]C[5]HH){1|N<2>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|P<4>,2|C<3>,2|H<1>}	C[5,5](C[5]C[6a]P[5])(C[5,5]C[5]2)(C[5]C[5]HH){1|N<2>,4|C<3>,4|H<1>}	109.6425	0.254	2	109.6425	0.064	2	109.6684	0.361	12	109.6684	0.361	12	111.4715	3.585	193	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5,5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5,5]-3:C[5]-4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5,5]-3:C[5]-4:	C[5,5](C[5]C[6a]Se[5])(C[5,5]C[5]2)(C[5]C[5]HH)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(H)2	C[5,5](C[5]C[6a]Se[5])(C[5,5]C[5]2)(C[5]C[5]HH)	C[5,5](C[5]C[6a]Se[5])(C[5,5]C[5]2)(C[5]C[5]HH){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(H)2{1|Se<2>,2|C<3>,2|H<1>}	C[5,5](C[5]C[6a]Se[5])(C[5,5]C[5]2)(C[5]C[5]HH){2|C<4>,2|H<1>,3|C<3>}	109.9435	0.353	2	109.9435	0.125	2	109.6684	0.361	12	109.6684	0.361	12	111.4715	3.585	193	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5,5]	3:3:4:	3:4:1:1:	3:4:2:	C[5,5]-3:N[5]-3:C[5]-4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:S[5]-2:	C[5,5](C[5,5]C[5]S[5])(N[5]C[6a]C[5])(C[5]C[5]HH)	C[5](C[5,5]C[5,5]N[5])(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]N[5])(C[5]C[5]HH)(S[5]C[5])	C[5,5](C[5,5]C[5]S[5])(N[5]C[6a]C[5])(C[5]C[5]HH){1|S<1>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]N[5])(C[5]C[5]HH)(H)2{1|S<2>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5]N[5])(C[5]C[5]HH)(S[5]C[5]){1|C<3>,1|S<1>,4|H<1>}	114.2320	0.000	1	114.2320	0.000	1	114.2320	0.000	1	114.2320	0.000	1	111.4715	3.585	193	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5,5]	3:3:4:	3:4:1:1:	3:4:3:	C[5]-3:C[5,5]-3:C[5]-4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5](C[5]C[5a]Si[5])(C[5,5]C[5]2)(C[5]C[5]HH)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(H)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]Si[5]H)	C[5,5](C[5]C[5a]Si[5])(C[5,5]C[5]2)(C[5]C[5]HH){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(H)2{1|Si<2>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]Si[5]H){1|C<3>,2|C<4>,2|H<1>}	111.0220	0.000	1	111.0220	0.000	1	111.0220	0.000	1	111.0220	0.000	1	111.4715	3.585	193	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5,5]	3:3:4:	3:4:1:1:	4:3:3:	C[5]-3:C[5,5]-3:C[5]-4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5,5]-3:C[5]-3:	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(C[5]C[5]HH)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5,5](C[5]C[6a]2C[5])(C[5,5]C[5]2)(C[5]C[5]H)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(C[5]C[5]HH){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5,5](C[5]C[6a]2C[5])(C[5,5]C[5]2)(C[5]C[5]H){1|O<1>,4|H<1>,5|C<3>}	108.8360	0.008	2	108.8360	0.000	2	108.8360	0.000	2	108.8360	0.000	2	111.4715	3.585	193	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5,5]	3:3:4:	3:4:1:1:	4:3:4:	C[5,5]-3:C[5,5]-3:C[5]-4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-3:C[5]-4:	C[5,5](C[5,5]C[5,5]C[5])2(C[5]C[5]HH)	C[5](C[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5,5]O[5]2)(C[5,5]C[5,5]C[5])(C[5]C[5]HH)	C[5,5](C[5,5]C[5,5]C[5])2(C[5]C[5]HH){2|C<4>,2|O<2>,6|H<1>}	C[5](C[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,5]O[5]2)(C[5,5]C[5,5]C[5])(C[5]C[5]HH){4|C<4>,4|H<1>}	112.9375	0.074	2	112.9375	0.006	2	112.9375	0.006	2	112.8450	0.027	4	111.4715	3.585	193	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5,5]	3:3:4:	3:4:1:1:	4:3:4:	C[5,5]-3:C[5]-3:C[5]-4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[3,5,5]-4:C[5,5]-3:C[5]-4:	C[5,5](C[5,5]C[3,5,5]C[5])(C[5]C[3,5,5]C)(C[5]C[5]HH)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5,5](C[3,5,5]C[3,5,5]C[3]C[5])(C[5,5]C[5]2)(C[5]C[5]HH)	C[5,5](C[5,5]C[3,5,5]C[5])(C[5]C[3,5,5]C)(C[5]C[5]HH){3|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,5](C[3,5,5]C[3,5,5]C[3]C[5])(C[5,5]C[5]2)(C[5]C[5]HH){2|Br<1>,1|C<3>,2|C<4>,6|H<1>}	112.8980	0.000	1	112.8980	0.000	1	112.7525	0.042	2	112.8450	0.027	4	111.4715	3.585	193	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5,5]	3:3:4:	3:4:1:1:	4:3:4:	C[5,5]-3:C[5]-3:C[5]-4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[3,5,5]-4:C[5,5]-3:C[5]-4:	C[5,5](C[5,5]C[3,5,5]C[5])(C[5]C[3,5,5]O)(C[5]C[5]HH)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5,5](C[3,5,5]C[3,5,5]C[3]C[5])(C[5,5]C[5]2)(C[5]C[5]HH)	C[5,5](C[5,5]C[3,5,5]C[5])(C[5]C[3,5,5]O)(C[5]C[5]HH){3|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,2|H<1>}	C[5,5](C[3,5,5]C[3,5,5]C[3]C[5])(C[5,5]C[5]2)(C[5]C[5]HH){2|Br<1>,1|O<1>,2|C<4>,6|H<1>}	112.6070	0.000	1	112.6070	0.000	1	112.7525	0.042	2	112.8450	0.027	4	111.4715	3.585	193	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5,5]	3:4:2:	3:3:1:1:	3:4:2:	C[5,5]-3:C[5]-4:S[5]-2:	C[5,5]-3:N[5]-3:H-1:H-1:	C[5,5]-3:C[5]-4:S[5]-2:	C[5,5](C[5,5]C[5]S[5])(C[5]N[5]HH)(S[5]C[5])	C[5](C[5,5]C[5,5]S[5])(N[5]C[5]C)(H)2	C[5,5](C[5,5]C[5]S[5])(C[5]N[5]HH)(S[5]C[5])	C[5,5](C[5,5]C[5]S[5])(C[5]N[5]HH)(S[5]C[5]){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]S[5])(N[5]C[5]C)(H)2{1|C<3>,1|S<2>,2|H<1>}	C[5,5](C[5,5]C[5]S[5])(C[5]N[5]HH)(S[5]C[5]){1|C<3>,1|C<4>,2|H<1>}	110.8175	0.287	4	110.8175	0.082	4	110.8175	0.082	4	110.8175	0.082	4	111.4715	3.585	193	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5,5]	3:4:2:	3:3:4:4:	3:3:3:	C[5,5]-3:C[5]-4:N[5]-2:	C[5,5]-3:C[5,5]-3:C-4:C-4:	C[5,5]-3:C[5,5]-3:C[5]-3:	C[5,5](C[5,5]C[5,5]C[5])(C[5]C[5,5]CC)(N[5]C[5])	C[5](C[5,5]C[5,5]N[5])2(CH3)2	C[5,5](C[5,5]C[5,5]C[5])(C[5,5]C[5]N[5])(C[5]C[5]H)	C[5,5](C[5,5]C[5,5]C[5])(C[5]C[5,5]CC)(N[5]C[5]){1|H<1>,1|N<2>,2|C<3>}	C[5](C[5,5]C[5,5]N[5])2(CH3)2{4|C<3>}	C[5,5](C[5,5]C[5,5]C[5])(C[5,5]C[5]N[5])(C[5]C[5]H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	113.2185	0.279	2	113.2185	0.078	2	113.2185	0.078	2	113.2185	0.078	2	111.4715	3.585	193	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5,5]	3:4:2:	3:4:1:1:	3:2:2:	C[5,5]-3:C[5]-4:S[5]-2:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:Se[5]-2:S[5]-2:	C[5,5](C[5,5]Se[5]S[5])(C[5]C[5]HH)(S[5]C[5])	C[5](C[5,5]C[5,5]S[5])(C[5]Se[5]HH)(H)2	C[5,5](C[5,5]C[5]S[5])(Se[5]C[5])(S[5]C[5])	C[5,5](C[5,5]Se[5]S[5])(C[5]C[5]HH)(S[5]C[5]){1|S<1>,2|H<1>}	C[5](C[5,5]C[5,5]S[5])(C[5]Se[5]HH)(H)2{1|C<3>,1|S<2>}	C[5,5](C[5,5]C[5]S[5])(Se[5]C[5])(S[5]C[5]){1|S<1>,4|H<1>}	117.7600	0.000	1	117.7600	0.000	1	117.7600	0.000	1	117.7600	0.000	1	111.4715	3.585	193	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5,5]	3:4:2:	3:4:1:1:	3:3:2:	C[5,5]-3:C[5]-4:S[5]-2:	C[5,5]-3:C[5,5]-4:H-1:H-1:	C[5,5]-3:C[5]-3:S[5]-2:	C[5,5](C[5,5]C[5]S[5])(C[5]C[5,5]HH)(S[5]C[5])	C[5](C[5,5]C[5,5]S[5])(C[5,5]C[5]S[5]2)(H)2	C[5,5](C[5,5]C[5]S[5])(C[5]C[5,5]C[5])(S[5]C[5])	C[5,5](C[5,5]C[5]S[5])(C[5]C[5,5]HH)(S[5]C[5]){2|C<3>,2|S<2>}	C[5](C[5,5]C[5,5]S[5])(C[5,5]C[5]S[5]2)(H)2{1|S<2>,4|C<3>}	C[5,5](C[5,5]C[5]S[5])(C[5]C[5,5]C[5])(S[5]C[5]){1|C<3>,2|H<1>,4|S<2>}	112.1660	0.000	1	112.1660	0.000	1	112.1660	0.000	1	112.1660	0.000	1	111.4715	3.585	193	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5,5]	3:4:2:	3:4:1:1:	3:3:4:	C[5,5]-3:C[5]-4:S[5]-2:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:N[5]-3:C[5]-4:	C[5,5](C[5,5]C[5]N[5])(C[5]C[5]HH)(S[5]C[5])	C[5](C[5,5]C[5,5]S[5])(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]S[5])(N[5]C[6a]C[5])(C[5]C[5]HH)	C[5,5](C[5,5]C[5]N[5])(C[5]C[5]HH)(S[5]C[5]){1|C<3>,1|S<1>,4|H<1>}	C[5](C[5,5]C[5,5]S[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5,5](C[5,5]C[5]S[5])(N[5]C[6a]C[5])(C[5]C[5]HH){1|S<1>,2|C<3>,4|H<1>}	113.2200	0.000	1	113.2200	0.000	1	113.2200	0.000	1	113.2200	0.000	1	111.4715	3.585	193	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5,5]	3:4:2:	3:4:1:1:	3:4:2:	C[5,5]-3:C[5]-4:S[5]-2:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:S[5]-2:	C[5,5](C[5,5]C[5]S[5])(C[5]C[5]HH)(S[5]C[5])	C[5](C[5,5]C[5,5]S[5])(C[5]C[5]CH)(H)2	C[5,5](C[5,5]C[5]S[5])(C[5]C[5]HH)(S[5]C[5])	C[5,5](C[5,5]C[5]S[5])(C[5]C[5]HH)(S[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]S[5])(C[5]C[5]CH)(H)2{1|C<3>,1|S<2>,2|H<1>}	C[5,5](C[5,5]C[5]S[5])(C[5]C[5]HH)(S[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	112.7455	0.193	2	112.7455	0.037	2	113.0673	0.362	60	113.0673	0.362	60	111.4715	3.585	193	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5,5]	3:4:2:	3:4:1:1:	3:4:2:	C[5,5]-3:C[5]-4:S[5]-2:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:S[5]-2:	C[5,5](C[5,5]C[5]S[5])(C[5]C[5]HH)(S[5]C[5])	C[5](C[5,5]C[5,5]S[5])(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]S[5])(C[5]C[5]HH)(S[5]C[5])	C[5,5](C[5,5]C[5]S[5])(C[5]C[5]HH)(S[5]C[5]){1|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]S[5])(C[5]C[5]HH)(H)2{1|C<3>,1|S<2>,2|H<1>}	C[5,5](C[5,5]C[5]S[5])(C[5]C[5]HH)(S[5]C[5]){1|C<3>,4|H<1>}	113.0784	0.609	58	113.0784	0.370	58	113.0673	0.362	60	113.0673	0.362	60	111.4715	3.585	193	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5,5]	3:4:3:	3:3:1:1:	3:3:4:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5,5]-3:C[5]-4:	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]O)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(H)2	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(C[5]O[5]HH)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]O){2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(C[5]O[5]HH){1|O<1>,2|H<1>,3|C<3>}	110.2300	0.000	1	110.2300	0.000	1	110.2300	0.000	1	110.2300	0.000	1	111.4715	3.585	193	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5,5]	3:4:3:	3:3:1:1:	3:4:3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-3:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]O)(H)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]H)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]O)(H)2{2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]H){1|O<1>,2|C<3>,3|H<1>}	108.8850	0.000	2	108.8850	0.000	2	108.8850	0.000	2	108.8850	0.000	2	111.4715	3.585	193	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5,5]	3:4:3:	3:3:3:2:	3:4:3:	C[5,6a]-3:C[5]-4:C[5,5]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[5,5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[5,5]C[5,6a]C[5])	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[5,5]C[5,6a]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[5,5]C[5,6a]C[5]){1|H<1>,1|O<2>,7|C<3>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OH){1|C<4>,3|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[5,5]C[5,6a]C[5]){1|H<1>,1|O<2>,7|C<3>}	112.0715	0.073	2	112.0715	0.005	2	112.0715	0.005	2	112.0715	0.005	2	111.4715	3.585	193	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5,5]	3:4:3:	3:3:3:3:	3:3:2:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:Se[5]-2:	C[5,5](C[5,5]C[5,6a]Se[5])(C[5]C[5,6a]C[6a]2)(C[5]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2)(Se[5]C[5])	C[5,5](C[5,5]C[5,6a]Se[5])(C[5]C[5,6a]C[6a]2)(C[5]C[5]H){1|Br<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)2{1|Se<2>,6|H<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2)(Se[5]C[5]){1|Br<1>,2|H<1>,4|C<3>}	111.5030	0.000	1	111.5030	0.000	1	111.5030	0.000	1	111.5030	0.000	1	111.4715	3.585	193	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5,5]	3:4:3:	3:3:3:3:	3:3:3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5,6]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[5,5]-3:	C[5,5](C[5,5]C[5,6a]C[5,6])(C[5]C[5,6]C[6a]2)(C[5]C[5,6a]C[6a])	C[5](C[5,5]C[5,5]C[5])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]C[5,6])(C[5]C[5,6]C[6a]2)(C[5]C[5,6a]C[6a]){10|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)2{5|H<1>,9|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,5]C[5]2){1|H<1>,1|O<1>,7|C<3>}	109.5300	0.000	1	109.5300	0.000	1	109.5300	0.000	1	109.5300	0.000	1	111.4715	3.585	193	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5,5]	3:4:3:	3:3:4:1:	3:3:3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-3:N-4:H-1:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5](C[5,5]C[5,6a]N[5])(C[5]C[5,6a]HN)(C[5]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(NH3)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2)(N[5]N[5]C)	C[5,5](C[5,5]C[5,6a]N[5])(C[5]C[5,6a]HN)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(NH3)(H){2|C<3>,2|H<1>,2|N<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2)(N[5]N[5]C){1|N<4>,2|C<3>,4|H<1>}	109.9340	0.000	1	109.9340	0.000	1	109.9340	0.000	1	109.9340	0.000	1	111.4715	3.585	193	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5,5]	3:4:3:	3:3:4:1:	3:4:3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-3:B-4:H-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5](C[5,5]C[5]2)(C[5]C[5]BH)(C[5]C[5]N)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]H)(BC[6a]2H)(H)	C[5,5](C[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]H)	C[5,5](C[5,5]C[5]2)(C[5]C[5]BH)(C[5]C[5]N){2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]H)(BC[6a]2H)(H){1|H<1>,1|N<3>,2|C<4>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]H){1|B<4>,1|N<3>,4|H<1>}	109.4870	0.000	1	109.4870	0.000	1	109.4870	0.000	1	109.4870	0.000	1	111.4715	3.585	193	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5,5]	3:4:3:	3:4:1:1:	3:3:4:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5,5]-3:C[5]-4:	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]Si[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(H)2	C[5,5](C[5]C[5a]Si[5])(C[5,5]C[5]2)(C[5]C[5]HH)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]Si[5]H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(H)2{1|Si<2>,1|C<3>,3|H<1>}	C[5,5](C[5]C[5a]Si[5])(C[5,5]C[5]2)(C[5]C[5]HH){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	110.8720	0.000	1	110.8720	0.000	1	110.8720	0.000	1	110.8720	0.000	1	111.4715	3.585	193	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5,5]	3:4:3:	3:4:1:1:	3:4:3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(H)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]H)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]H){1|O<1>,2|C<3>,3|H<1>}	109.3100	0.000	2	109.3100	0.000	2	109.3969	1.010	34	109.8953	2.728	40	111.4715	3.585	193	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5,5]	3:4:3:	3:4:1:1:	3:4:3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|C<3>,1|C<4>,1|S<1>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|C<3>,1|C<4>,1|S<1>,4|H<1>}	108.8580	0.436	2	109.4023	1.074	32	109.3969	1.010	34	109.8953	2.728	40	111.4715	3.585	193	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5,5]	3:4:3:	3:4:1:1:	3:4:3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|P<3>,2|H<1>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|C<3>,1|C<4>,4|H<1>}	109.6870	0.385	2	109.4023	1.074	32	109.3969	1.010	34	109.8953	2.728	40	111.4715	3.585	193	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5,5]	3:4:3:	3:4:1:1:	3:4:3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|Pd<4>,1|C<3>,1|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|Pd<4>,1|C<3>,1|C<4>,4|H<1>}	108.9570	0.660	8	109.4023	1.074	32	109.3969	1.010	34	109.8953	2.728	40	111.4715	3.585	193	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5,5]	3:4:3:	3:4:1:1:	3:4:3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|Pd<4>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|P<4>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|Pd<4>,2|C<3>,4|H<1>}	112.0640	0.064	2	109.4023	1.074	32	109.3969	1.010	34	109.8953	2.728	40	111.4715	3.585	193	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5,5]	3:4:3:	3:4:1:1:	3:4:3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|Pt<4>,1|C<3>,1|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|Pt<4>,1|C<3>,1|C<4>,4|H<1>}	109.0890	0.674	8	109.4023	1.074	32	109.3969	1.010	34	109.8953	2.728	40	111.4715	3.585	193	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5,5]	3:4:3:	3:4:1:1:	3:4:3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|Pt<5>,1|C<3>,1|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|Pt<5>,1|C<3>,1|C<4>,4|H<1>}	109.0585	0.452	2	109.4023	1.074	32	109.3969	1.010	34	109.8953	2.728	40	111.4715	3.585	193	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5,5]	3:4:3:	3:4:1:1:	3:4:3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|Rh<5>,1|C<3>,1|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|Rh<5>,1|C<3>,1|C<4>,4|H<1>}	109.3310	0.144	2	109.4023	1.074	32	109.3969	1.010	34	109.8953	2.728	40	111.4715	3.585	193	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5,5]	3:4:3:	3:4:1:1:	3:4:3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|Rh<6>,1|C<3>,1|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|Rh<6>,1|C<3>,1|C<4>,4|H<1>}	108.1620	0.099	2	109.4023	1.074	32	109.3969	1.010	34	109.8953	2.728	40	111.4715	3.585	193	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5,5]	3:4:3:	3:4:1:1:	3:4:3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){2|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|P<3>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){2|C<3>,4|H<1>}	110.5465	0.461	4	109.4023	1.074	32	109.3969	1.010	34	109.8953	2.728	40	111.4715	3.585	193	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5,5]	3:4:3:	3:4:1:1:	3:4:3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:N[5]-3:	C[5,5](C[5,5]C[5]N[5])(C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(N[5]N[5]B)	C[5,5](C[5,5]C[5]N[5])(C[5]C[5]HH)(C[5]N[5]C){1|Co<6>,1|B<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(N[5]N[5]B){1|Co<6>,1|C<4>,4|H<1>}	111.0730	0.451	3	111.0730	0.203	3	111.0730	0.203	3	109.8953	2.728	40	111.4715	3.585	193	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5,5]	3:4:3:	3:4:1:1:	3:4:3:	C[5,5]-3:C[5]-4:N[5]-3:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(N[5]N[5]B)	C[5](C[5,5]C[5,5]N[5])(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]N[5])(C[5]C[5]HH)(C[5]N[5]C)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(N[5]N[5]B){1|Co<6>,1|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]N[5])(C[5]C[5]HH)(H)2{1|B<4>,1|C<3>,1|N<3>,2|H<1>}	C[5,5](C[5,5]C[5]N[5])(C[5]C[5]HH)(C[5]N[5]C){1|Co<6>,1|B<4>,4|H<1>}	114.3660	0.221	3	114.3660	0.049	3	114.3660	0.049	3	109.8953	2.728	40	111.4715	3.585	193	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5,5]	3:4:3:	3:4:1:1:	4:3:3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,5]-3:N[5]-3:	C[5,5](C[5,5]C[5,6]N[5])(C[5]C[5]HH)(C[5]O[5]O)	C[5](C[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	C[5,5](C[5,6]C[6]2O[5])(C[5,5]C[5]2)(N[5]C[5]S)	C[5,5](C[5,5]C[5,6]N[5])(C[5]C[5]HH)(C[5]O[5]O){1|S<4>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,1|S<4>}	C[5,5](C[5,6]C[6]2O[5])(C[5,5]C[5]2)(N[5]C[5]S){1|O<1>,2|C<4>,8|H<1>}	112.5493	0.134	3	112.5493	0.018	3	112.5493	0.018	3	112.5493	0.018	3	111.4715	3.585	193	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5,5]	3:4:3:	3:4:3:3:	3:3:3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:C-3:C-3:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5](C[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(COO)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	C[5,5](C[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(COO)2{1|C<4>,1|H<1>,2|C<3>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){3|C<3>,3|H<1>}	109.3770	0.000	1	109.3770	0.000	1	109.3770	0.000	1	109.3770	0.000	1	111.4715	3.585	193	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5,5]	3:4:3:	3:4:4:1:	3:3:3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:C-4:H-1:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5](C[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(CH3)(H)	C[5,5](C[5,5]C[5]2)(C[5]C[5]H)(C[5]C[5]N)	C[5,5](C[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]H){1|N<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(CH3)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]H)(C[5]C[5]N){1|C<4>,5|H<1>}	111.1250	0.508	2	111.1250	0.258	2	111.1250	0.258	2	111.1250	0.258	2	111.4715	3.585	193	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5,5]	3:4:3:	3:4:4:4:	3:3:3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:C-4:C-4:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5](C[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(CH3)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]H)(C[5]C[5]N)	C[5,5](C[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]H){1|B<3>,1|N<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(CH3)2{1|H<1>,1|N<3>,2|C<3>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]H)(C[5]C[5]N){1|B<3>,2|C<4>,3|H<1>}	111.2010	0.000	1	111.2010	0.000	1	111.2010	0.000	1	111.2010	0.000	1	111.4715	3.585	193	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5,5]	3:4:3:	3:4:4:4:	3:4:3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:C-4:C-4:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5](C[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(CH3)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]BH)(C[5]C[5]N)	C[5,5](C[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]H){1|B<4>,1|N<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(CH3)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]BH)(C[5]C[5]N){2|C<4>,4|H<1>}	114.6650	0.000	1	114.6650	0.000	1	114.6650	0.000	1	114.6650	0.000	1	111.4715	3.585	193	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5,5]	3:4:4:	3:4:1:1:	4:3:4:	C[5,5]-3:C[5,6]-4:C[5]-4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,5]-3:C[5]-4:	C[5,5](C[5,5]C[5,6]C[5])(C[5,6]C[5]C[6]2)(C[5]C[5]HH)	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5,6]HH)(H)2	C[5,5](C[5,6]C[5,6]C[5]C[6])(C[5,5]C[5,6]C[5])(C[5]C[5]CH)	C[5,5](C[5,5]C[5,6]C[5])(C[5,6]C[5]C[6]2)(C[5]C[5]HH){2|C<3>,4|C<4>,7|H<1>}	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5,6]HH)(H)2{2|C<3>,4|C<4>}	C[5,5](C[5,6]C[5,6]C[5]C[6])(C[5,5]C[5,6]C[5])(C[5]C[5]CH){1|C<3>,1|O<1>,5|C<4>,6|H<1>}	113.0980	0.000	1	113.0980	0.000	1	113.0980	0.000	1	113.0980	0.000	1	111.4715	3.585	193	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5,5]	4:3:2:	3:3:2:1:	4:3:2:	C[5]-4:C[5,5]-3:S[5]-2:	C[5,5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5,5]-3:S[5]-2:	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]S[5])(S[5]C[5])	C[5](C[5,5]C[5,5]S[5])(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]S[5])(S[5]C[5])	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]S[5])(S[5]C[5]){1|H<1>,1|S<1>,3|C<3>}	C[5](C[5,5]C[5,5]S[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,1|S<2>,2|H<1>,4|C<3>}	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]S[5])(S[5]C[5]){1|H<1>,1|S<1>,3|C<3>}	110.6530	0.196	8	110.6530	0.038	8	110.6530	0.038	8	110.6530	0.038	8	111.4715	3.585	193	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5,5]	4:3:3:	3:3:3:1:	3:3:4:	C[5]-4:C[5,5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-3:C[5]-4:	C[5,5](C[5]C[5,6a]C[6a]H)(C[5,5]C[5,6a]C[5])(N[5]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5]C[5]CC)	C[5,5](C[5]C[5,6a]C[6a]H)(C[5,5]C[5,6a]C[5])(N[5]C[6a]C[5]){1|O<1>,2|C<4>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5]C[5]CC){1|O<1>,2|H<1>,4|C<3>}	113.6910	0.590	2	113.6910	0.348	2	113.6910	0.348	2	113.6910	0.348	2	111.4715	3.585	193	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5,5]	4:3:3:	3:3:3:3:	3:3:4:	C[5]-4:C[5,5]-3:C[5]-3:	C[5,5]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5,5]-3:C[5]-4:	C[5,5](C[5]C[6a]2C[5])(C[5,5]C[5]2)(C[5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)2(C[5]C[5]O)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(C[5]C[5]HH)	C[5,5](C[5]C[6a]2C[5])(C[5,5]C[5]2)(C[5]C[5]H){1|O<1>,4|H<1>,5|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)2(C[5]C[5]O){1|O<2>,2|C<4>,4|H<1>,5|C<3>}	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(C[5]C[5]HH){1|O<1>,3|H<1>,4|C<3>}	110.0450	0.021	2	110.0450	0.000	2	110.0450	0.000	2	110.0450	0.000	2	111.4715	3.585	193	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5,5]	4:3:3:	3:4:1:1:	4:3:3:	C[5]-4:C[5,5]-3:C[5]-3:	C[5,5]-3:C[5]-4:Br-1:H-1:	C[5]-4:C[5,5]-3:C[5]-3:	C[5,5](C[5]C[5]BrH)(C[5,5]C[5]2)(C[5]C[5]Br)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]BrH)(Br)(H)	C[5,5](C[5]C[5]BrH)(C[5,5]C[5]2)(C[5]C[5]Br)	C[5,5](C[5]C[5]BrH)(C[5,5]C[5]2)(C[5]C[5]Br){4|Br<1>,3|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]BrH)(Br)(H){2|Br<1>,2|C<4>}	C[5,5](C[5]C[5]BrH)(C[5,5]C[5]2)(C[5]C[5]Br){4|Br<1>,3|H<1>}	109.9690	0.000	1	109.9690	0.000	1	109.9690	0.000	1	109.9690	0.000	1	111.4715	3.585	193	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5,5]	4:3:4:	3:3:1:1:	3:3:3:	C[5]-4:C[5,5]-3:C[5]-4:	C[5,6a]-3:C[5,5]-3:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5,5]-3:	C[5,5](C[5]C[5,6a]SiH)(C[5,5]C[5,6a]2)(C[5]C[5,6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(H)2	C[5,5](C[5,6a]C[6a,6a]C[5,6a])2(C[5,5]C[5]2)	C[5,5](C[5]C[5,6a]SiH)(C[5,5]C[5,6a]2)(C[5]C[5,6a]HH){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(H)2{1|Si<4>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[6a,6a]C[5,6a])2(C[5,5]C[5]2){1|Si<4>,3|H<1>,6|C<3>}	111.8090	0.000	1	111.8090	0.000	1	111.8090	0.000	1	111.8090	0.000	1	111.4715	3.585	193	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5,5]	4:3:4:	3:3:4:1:	3:3:3:	C[5]-4:C[5,5]-3:C[5]-4:	C[5,6a]-3:C[5,5]-3:Si-4:H-1:	C[5,6a]-3:C[5,6a]-3:C[5,5]-3:	C[5,5](C[5]C[5,6a]SiH)(C[5,5]C[5,6a]2)(C[5]C[5,6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(SiC3)(H)	C[5,5](C[5,6a]C[6a,6a]C[5,6a])2(C[5,5]C[5]2)	C[5,5](C[5]C[5,6a]SiH)(C[5,5]C[5,6a]2)(C[5]C[5,6a]HH){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(SiC3)(H){3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[6a,6a]C[5,6a])2(C[5,5]C[5]2){1|Si<4>,3|H<1>,6|C<3>}	111.9430	0.000	1	111.9430	0.000	1	111.9430	0.000	1	111.9430	0.000	1	111.4715	3.585	193	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5,5]	4:3:4:	3:3:4:4:	3:3:3:	P[5]-4:C[5,5]-3:C[5]-4:	C[5,6a]-3:C[5,5]-3:C-4:C-4:	C[5,6a]-3:C[5,6a]-3:C[5,5]-3:	C[5,5](P[5]C[5,6a]C[6a]O)(C[5,5]C[5,6a]2)(C[5]C[5,6a]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]P[5])(CH3)2	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]P[5])	C[5,5](P[5]C[5,6a]C[6a]O)(C[5,5]C[5,6a]2)(C[5]C[5,6a]CC){6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]P[5])(CH3)2{1|H<1>,1|O<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]P[5]){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	112.3110	0.000	1	112.3110	0.000	1	112.3110	0.000	1	112.3110	0.000	1	111.4715	3.585	193	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5,5]	4:3:4:	3:4:1:1:	3:3:4:	C[3,5,5]-4:C[5,5]-3:C[5]-4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-3:C[5]-4:	C[5,5](C[3,5,5]C[3,5,5]C[3]C[5])(C[5,5]C[5]2)(C[5]C[5]HH)	C[5](C[5,5]C[3,5,5]C[5,5])(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[3,5,5]C[5])(C[5]C[3,5,5]C)(C[5]C[5]HH)	C[5,5](C[3,5,5]C[3,5,5]C[3]C[5])(C[5,5]C[5]2)(C[5]C[5]HH){2|Br<1>,1|C<3>,2|C<4>,6|H<1>}	C[5](C[5,5]C[3,5,5]C[5,5])(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[3,5,5]C[5])(C[5]C[3,5,5]C)(C[5]C[5]HH){3|C<4>,4|H<1>}	113.2780	0.000	1	113.2780	0.000	1	112.7675	0.521	2	113.2495	0.568	4	111.4715	3.585	193	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5,5]	4:3:4:	3:4:1:1:	3:3:4:	C[3,5,5]-4:C[5,5]-3:C[5]-4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-3:C[5]-4:	C[5,5](C[3,5,5]C[3,5,5]C[3]C[5])(C[5,5]C[5]2)(C[5]C[5]HH)	C[5](C[5,5]C[3,5,5]C[5,5])(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[3,5,5]C[5])(C[5]C[3,5,5]O)(C[5]C[5]HH)	C[5,5](C[3,5,5]C[3,5,5]C[3]C[5])(C[5,5]C[5]2)(C[5]C[5]HH){2|Br<1>,1|O<1>,2|C<4>,6|H<1>}	C[5](C[5,5]C[3,5,5]C[5,5])(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[3,5,5]C[5])(C[5]C[3,5,5]O)(C[5]C[5]HH){3|C<4>,4|H<1>}	112.2570	0.000	1	112.2570	0.000	1	112.7675	0.521	2	113.2495	0.568	4	111.4715	3.585	193	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5,5]	4:3:4:	3:4:1:1:	3:3:4:	C[5,5]-4:C[5,5]-3:C[5]-4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5,5]-3:C[5]-4:	C[5,5](C[5,5]C[5,5]O[5]2)(C[5,5]C[5,5]C[5])(C[5]C[5]HH)	C[5](C[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5,5]C[5])2(C[5]C[5]HH)	C[5,5](C[5,5]C[5,5]O[5]2)(C[5,5]C[5,5]C[5])(C[5]C[5]HH){4|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>,2|O<2>}	C[5,5](C[5,5]C[5,5]C[5])2(C[5]C[5]HH){2|C<4>,2|O<2>,6|H<1>}	113.7315	0.504	2	113.7315	0.254	2	113.7315	0.254	2	113.2495	0.568	4	111.4715	3.585	193	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5,5]	4:3:4:	3:4:4:1:	3:4:4:	C[5,6]-4:C[5,5]-3:C[5]-4:	C[5,5]-3:C[5]-4:C-4:H-1:	C[5,5]-3:C[5,6]-4:C[5]-4:	C[5,5](C[5,6]C[5,6]C[5]C[6])(C[5,5]C[5,6]C[5])(C[5]C[5]CH)	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5,6]HH)(CCHH)(H)	C[5,5](C[5,5]C[5,6]C[5])(C[5,6]C[5]C[6]2)(C[5]C[5]HH)	C[5,5](C[5,6]C[5,6]C[5]C[6])(C[5,5]C[5,6]C[5])(C[5]C[5]CH){1|C<3>,1|O<1>,5|C<4>,6|H<1>}	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5,6]HH)(CCHH)(H){2|C<3>,4|C<4>}	C[5,5](C[5,5]C[5,6]C[5])(C[5,6]C[5]C[6]2)(C[5]C[5]HH){2|C<3>,4|C<4>,7|H<1>}	112.3760	0.000	1	112.3760	0.000	1	112.3760	0.000	1	112.3760	0.000	1	111.4715	3.585	193	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5,5]	4:4:3:	3:3:2:2:	3:3:3:	C[5,5]-4:C[5]-4:C[5,5]-3:	C[5,5]-3:C[6a]-3:N[5]-2:O-2:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5](C[5,5]C[5]2O[5])(C[5]C[6a]N[5]O)(C[5,5]C[5]2)	C[5](C[5,5]C[5,5]2)(C[6a]C[6a]2)(N[5]C[5])(OC)	C[5,5](C[5,5]C[5,5]C[5])(C[5]C[6a]N[5])(C[5]O[5]O)	C[5,5](C[5,5]C[5]2O[5])(C[5]C[6a]N[5]O)(C[5,5]C[5]2){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]2)(C[6a]C[6a]2)(N[5]C[5])(OC){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,5]C[5])(C[5]C[6a]N[5])(C[5]O[5]O){1|O<2>,2|C<4>,3|C<3>}	108.3720	0.000	1	108.3720	0.000	1	108.3720	0.000	1	108.3720	0.000	1	111.4715	3.585	193	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5,5]	4:4:3:	3:3:3:1:	3:3:3:	C[5]-4:C[5]-4:C[5,5]-3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5,5]-3:	C[5,5](C[5]C[5,6a]C[6a]H)2(C[5,5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]2)	C[5,5](C[5]C[5,6a]C[6a]H)2(C[5,5]C[5,6a]2){8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]2){4|H<1>,6|C<3>}	112.1830	0.089	2	112.1830	0.008	2	112.1162	0.229	4	112.1162	0.229	4	111.4715	3.585	193	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5,5]	4:4:3:	3:3:3:1:	3:3:3:	C[5]-4:C[5]-4:C[5,5]-3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5,5]-3:	C[5,5](C[5]C[5,6a]C[6a]H)2(C[5,5]C[5,6a]2)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]2)	C[5,5](C[5]C[5,6a]C[6a]H)2(C[5,5]C[5,6a]2){8|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|H<1>,2|C<4>,8|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]2){4|H<1>,6|C<3>}	112.0495	0.812	2	112.0495	0.660	2	112.1162	0.229	4	112.1162	0.229	4	111.4715	3.585	193	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5,5]	4:4:3:	3:4:1:1:	4:4:3:	C[5]-4:C[5]-4:C[5,5]-3:	C[5,5]-3:C[5]-4:Br-1:H-1:	C[5]-4:C[5]-4:C[5,5]-3:	C[5,5](C[5]C[5]BrH)2(C[5,5]C[5]2)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]BrH)(Br)(H)	C[5,5](C[5]C[5]BrH)2(C[5,5]C[5]2)	C[5,5](C[5]C[5]BrH)2(C[5,5]C[5]2){4|Br<1>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]BrH)(Br)(H){2|Br<1>,2|C<4>,2|H<1>}	C[5,5](C[5]C[5]BrH)2(C[5,5]C[5]2){4|Br<1>,4|H<1>}	111.5510	3.075	2	111.5510	9.453	2	111.5510	9.453	2	111.5510	9.453	2	111.4715	3.585	193	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,5]	C[5]	C[5]	4:3:3:	3:4:1:1:	3:4:1:	C[5]-4:C[5,5]-3:C[5]-3:	C[5,5]-3:C[5]-4:Br-1:H-1:	C[5,5]-3:C[5]-4:Br-1:	C[5,5](C[5]C[5]BrH)(C[5,5]C[5]2)(C[5]C[5]Br)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]BrH)(Br)(H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]BrH)(Br)	C[5,5](C[5]C[5]BrH)(C[5,5]C[5]2)(C[5]C[5]Br){4|Br<1>,3|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]BrH)(Br)(H){2|Br<1>,2|C<4>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]BrH)(Br){2|Br<1>,1|C<3>,1|C<4>,2|H<1>}	140.1130	0.000	1	140.1130	0.000	1	140.1130	0.000	1	140.1130	0.000	1	140.1130	0.000	1	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,3x6]	C[5,6,6]	4:4:3:	4:3:3:3:	3:4:3:	C[5,3x6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,3x6]-4:C[5,6,6]-3:C[5,6,6]-3:C[6]-3:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,3x6]C[5,3x6]C[5,6,6]C[6])(C[5,6,6]C[5,6,6a]2C[6a])(C[5,6,6]C[5,6,6]2)	C[5,3x6](C[5,3x6]C[5,6,6a]2C[6,6a])(C[5,6,6]C[5,6,6]2)2(C[6]C[6]H)	C[5,6,6](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,6,6]C[5,6,6a]2C[6a])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,3x6]C[5,3x6]C[5,6,6]C[6])(C[5,6,6]C[5,6,6a]2C[6a])(C[5,6,6]C[5,6,6]2){11|C<3>,1|H<1>,2|C<4>}	C[5,3x6](C[5,3x6]C[5,6,6a]2C[6,6a])(C[5,6,6]C[5,6,6]2)2(C[6]C[6]H){11|C<3>,2|C<4>}	C[5,6,6](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,6,6]C[5,6,6a]2C[6a])(C[5,6,6]C[5,6,6]2){11|C<3>,2|C<4>}	109.2210	0.311	2	109.2210	0.097	2	109.2210	0.097	2	109.2210	0.097	2	109.2210	0.097	2	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,3x6]	C[5]	4:2:3:	3:3:3:2:	3:3:1:	C[5,3x6]-4:N[6,6]-2:C[5]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:S[5]-2:	C[5,6,6]-3:C[5]-3:H-1:	C[5,6,6](C[5,3x6]C[6,6,6a]2S[5])(N[6,6]C[3x6])(C[5]C[5]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]N[6,6]C[5])(S[5]C[5])	C[5](C[5,6,6]C[5,3x6]N[6,6])(C[5]C[6a]S[5])(H)	C[5,6,6](C[5,3x6]C[6,6,6a]2S[5])(N[6,6]C[3x6])(C[5]C[5]H){1|H<1>,5|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]N[6,6]C[5])(S[5]C[5]){1|C<4>,3|H<1>,5|C<3>}	C[5](C[5,6,6]C[5,3x6]N[6,6])(C[5]C[6a]S[5])(H){1|C<4>,4|C<3>}	111.7915	0.039	2	111.7915	0.002	2	111.7915	0.002	2	111.7915	0.002	2	111.7413	4.156	36	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,3x6]	C[5]	4:2:3:	3:4:4:2:	3:3:3:	C[5,3x6]-4:O[6,6]-2:C[5]-3:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:O[5]-2:	C[5,6,6]-3:C[5]-3:C-3:	C[5,6,6](C[5,3x6]C[6,6]2O[5])(O[6,6]C[3x6])(C[5]C[5]C)	C[5,3x6](C[5,6,6]O[6,6]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(O[5]C[5])	C[5](C[5,6,6]C[5,3x6]O[6,6])(C[5]O[5]O)(CCO)	C[5,6,6](C[5,3x6]C[6,6]2O[5])(O[6,6]C[3x6])(C[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,3x6](C[5,6,6]O[6,6]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6,6]C[5,3x6]O[6,6])(C[5]O[5]O)(CCO){3|C<4>}	111.5950	0.000	1	111.5950	0.000	1	111.5950	0.000	1	111.5950	0.000	1	111.7413	4.156	36	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,3x6]	C[5]	4:2:3:	3:4:4:2:	3:4:3:	C[5,3x6]-4:O[6,6]-2:C[5]-3:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:O[5]-2:	C[5,6,6]-3:C[5]-4:C[5]-3:	C[5,6,6](C[5,3x6]C[6,6]2O[5])(O[6,6]C[3x6])(C[5]C[5]2)	C[5,3x6](C[5,6,6]O[6,6]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(O[5]C[5])	C[5](C[5,6,6]C[5,3x6]O[6,6])(C[5]S[5]2C)(C[5]O[5]O)	C[5,6,6](C[5,3x6]C[6,6]2O[5])(O[6,6]C[3x6])(C[5]C[5]2){1|C<3>,1|O<1>,2|S<2>,3|C<4>,4|H<1>}	C[5,3x6](C[5,6,6]O[6,6]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(O[5]C[5]){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6,6]C[5,3x6]O[6,6])(C[5]S[5]2C)(C[5]O[5]O){5|C<4>}	112.1330	0.000	1	112.1330	0.000	1	112.1330	0.000	1	112.1330	0.000	1	111.7413	4.156	36	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,3x6]	C[5]	4:3:3:	3:3:3:2:	3:3:1:	C[5,3x6]-4:C[6,6]-3:C[5]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:S[5]-2:	C[5,6,6]-3:C[5]-3:H-1:	C[5,6,6](C[5,3x6]C[6,6,6a]2S[5])(C[6,6]C[3x6]C[6a])(C[5]C[5]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(S[5]C[5])	C[5](C[5,6,6]C[5,3x6]C[6,6])(C[5]C[6a]S[5])(H)	C[5,6,6](C[5,3x6]C[6,6,6a]2S[5])(C[6,6]C[3x6]C[6a])(C[5]C[5]H){1|H<1>,7|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(S[5]C[5]){1|C<4>,3|H<1>,6|C<3>}	C[5](C[5,6,6]C[5,3x6]C[6,6])(C[5]C[6a]S[5])(H){1|C<4>,5|C<3>}	111.5474	0.781	8	111.5474	0.609	8	111.5474	0.609	8	112.9452	3.374	14	111.7413	4.156	36	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,3x6]	C[5]	4:3:3:	3:3:3:2:	3:3:1:	C[5,3x6]-4:N[6,6]-3:C[5]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:S[5]-2:	C[5,6,6]-3:C[5]-3:H-1:	C[5,6,6](C[5,3x6]C[6,6,6a]2S[5])(N[6,6]C[3x6]B)(C[5]C[5]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]N[6,6]C[5])(S[5]C[5])	C[5](C[5,6,6]C[5,3x6]N[6,6])(C[5]C[6a]S[5])(H)	C[5,6,6](C[5,3x6]C[6,6,6a]2S[5])(N[6,6]C[3x6]B)(C[5]C[5]H){1|H<1>,5|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]N[6,6]C[5])(S[5]C[5]){1|B<4>,1|C<4>,3|H<1>,5|C<3>}	C[5](C[5,6,6]C[5,3x6]N[6,6])(C[5]C[6a]S[5])(H){1|B<4>,1|C<4>,4|C<3>}	113.3820	0.000	1	113.3820	0.000	1	114.8090	0.626	6	112.9452	3.374	14	111.7413	4.156	36	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,3x6]	C[5]	4:3:3:	3:3:3:2:	3:3:1:	C[5,3x6]-4:N[6,6]-3:C[5]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:S[5]-2:	C[5,6,6]-3:C[5]-3:H-1:	C[5,6,6](C[5,3x6]C[6,6,6a]2S[5])(N[6,6]C[3x6]H)(C[5]C[5]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]N[6,6]C[5])(S[5]C[5])	C[5](C[5,6,6]C[5,3x6]N[6,6])(C[5]C[6a]S[5])(H)	C[5,6,6](C[5,3x6]C[6,6,6a]2S[5])(N[6,6]C[3x6]H)(C[5]C[5]H){1|H<1>,5|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]N[6,6]C[5])(S[5]C[5]){1|C<4>,4|H<1>,5|C<3>}	C[5](C[5,6,6]C[5,3x6]N[6,6])(C[5]C[6a]S[5])(H){1|C<4>,1|H<1>,4|C<3>}	114.5270	0.000	1	114.5270	0.000	1	114.8090	0.626	6	112.9452	3.374	14	111.7413	4.156	36	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,3x6]	C[5]	4:3:3:	3:3:3:2:	3:3:1:	C[5,3x6]-4:N[6,6]-3:C[5]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:S[5]-2:	C[5,6,6]-3:C[5]-3:H-1:	C[5,6,6](C[5,3x6]C[6,6,6a]2S[5])(N[6,6]C[3x6]O)(C[5]C[5]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]N[6,6]C[5])(S[5]C[5])	C[5](C[5,6,6]C[5,3x6]N[6,6])(C[5]C[6a]S[5])(H)	C[5,6,6](C[5,3x6]C[6,6,6a]2S[5])(N[6,6]C[3x6]O)(C[5]C[5]H){1|H<1>,5|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]N[6,6]C[5])(S[5]C[5]){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,6,6]C[5,3x6]N[6,6])(C[5]C[6a]S[5])(H){1|C<4>,1|O<1>,4|C<3>}	115.4915	0.016	2	115.2362	0.094	4	114.8090	0.626	6	112.9452	3.374	14	111.7413	4.156	36	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,3x6]	C[5]	4:3:3:	3:3:3:2:	3:3:1:	C[5,3x6]-4:N[6,6]-3:C[5]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:S[5]-2:	C[5,6,6]-3:C[5]-3:H-1:	C[5,6,6](C[5,3x6]C[6,6,6a]2S[5])(N[6,6]C[3x6]O)(C[5]C[5]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]N[6,6]C[5])(S[5]C[5])	C[5](C[5,6,6]C[5,3x6]N[6,6])(C[5]C[6a]S[5])(H)	C[5,6,6](C[5,3x6]C[6,6,6a]2S[5])(N[6,6]C[3x6]O)(C[5]C[5]H){1|H<1>,5|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]N[6,6]C[5])(S[5]C[5]){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[5](C[5,6,6]C[5,3x6]N[6,6])(C[5]C[6a]S[5])(H){1|C<4>,1|O<2>,4|C<3>}	114.9810	0.147	2	115.2362	0.094	4	114.8090	0.626	6	112.9452	3.374	14	111.7413	4.156	36	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,3x6]	C[5]	4:3:3:	3:3:3:2:	3:3:3:	C[5,3x6]-4:C[6,6]-3:C[5]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:S[5]-2:	C[5,6,6]-3:C[5]-3:C-3:	C[5,6,6](C[5,3x6]C[6,6,6a]2S[5])(C[6,6]C[3x6]H)(C[5]C[5]C)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(S[5]C[5])	C[5](C[5,6,6]C[5,3x6]C[6,6])(C[5]S[5]C)(COO)	C[5,6,6](C[5,3x6]C[6,6,6a]2S[5])(C[6,6]C[3x6]H)(C[5]C[5]C){1|H<1>,5|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(S[5]C[5]){1|C<4>,3|H<1>,6|C<3>}	C[5](C[5,6,6]C[5,3x6]C[6,6])(C[5]S[5]C)(COO){1|C<4>,1|H<1>,2|C<3>}	111.8150	0.000	1	111.8150	0.000	1	111.8150	0.000	1	113.0620	3.110	2	111.7413	4.156	36	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,3x6]	C[5]	4:3:3:	3:3:3:2:	3:3:3:	C[5,3x6]-4:C[6,6]-3:C[5]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:Se[5]-2:	C[5,6,6]-3:C[5]-3:C-3:	C[5,6,6](C[5,3x6]C[6,6,6a]2Se[5])(C[6,6]C[3x6]H)(C[5]C[5]C)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(Se[5]C[5])	C[5](C[5,6,6]C[5,3x6]C[6,6])(C[5]Se[5]C)(COO)	C[5,6,6](C[5,3x6]C[6,6,6a]2Se[5])(C[6,6]C[3x6]H)(C[5]C[5]C){1|H<1>,5|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(Se[5]C[5]){1|C<4>,3|H<1>,6|C<3>}	C[5](C[5,6,6]C[5,3x6]C[6,6])(C[5]Se[5]C)(COO){1|C<4>,1|H<1>,2|C<3>}	114.3090	0.000	1	114.3090	0.000	1	114.3090	0.000	1	113.0620	3.110	2	111.7413	4.156	36	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,3x6]	C[5]	4:3:3:	3:3:3:3:	3:3:1:	C[5,3x6]-4:C[6,6]-3:C[5]-3:	C[6,6,6a]-3:C[5,6,6]-3:C[6,6]-3:Se[5]-3:	C[5,6,6]-3:C[5]-3:H-1:	C[5,6,6](C[5,3x6]C[6,6,6a]C[6,6]Se[5])(C[6,6]C[3x6]C[6a])(C[5]C[5]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]H)(Se[5]C[5]O)	C[5](C[5,6,6]C[5,3x6]C[6,6])(C[5]C[6a]Se[5])(H)	C[5,6,6](C[5,3x6]C[6,6,6a]C[6,6]Se[5])(C[6,6]C[3x6]C[6a])(C[5]C[5]H){1|O<1>,2|H<1>,6|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]H)(Se[5]C[5]O){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6,6]C[5,3x6]C[6,6])(C[5]C[6a]Se[5])(H){1|C<4>,1|O<1>,5|C<3>}	113.8520	0.000	1	113.8520	0.000	1	113.8520	0.000	1	113.9980	0.043	2	111.7413	4.156	36	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,3x6]	C[5]	4:3:3:	3:3:3:3:	3:3:1:	C[5,3x6]-4:C[6,6]-3:C[5]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:Se[5]-3:	C[5,6,6]-3:C[5]-3:H-1:	C[5,6,6](C[5,3x6]C[6,6,6a]2Se[5])(C[6,6]C[3x6]C[6a])(C[5]C[5]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(Se[5]C[5]O)	C[5](C[5,6,6]C[5,3x6]C[6,6])(C[5]C[6a]Se[5])(H)	C[5,6,6](C[5,3x6]C[6,6,6a]2Se[5])(C[6,6]C[3x6]C[6a])(C[5]C[5]H){1|H<1>,1|O<1>,7|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(Se[5]C[5]O){1|C<4>,3|H<1>,6|C<3>}	C[5](C[5,6,6]C[5,3x6]C[6,6])(C[5]C[6a]Se[5])(H){1|C<4>,1|O<1>,5|C<3>}	114.1440	0.000	1	114.1440	0.000	1	114.1440	0.000	1	113.9980	0.043	2	111.7413	4.156	36	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,3x6]	C[5]	4:3:3:	3:3:3:4:	3:2:1:	C[5,3x6]-4:C[6,6]-3:C[5]-3:	C[6,6,6a]-3:C[5,6,6]-3:C[3x6]-3:C[5]-4:	C[5,6,6]-3:O[5]-2:O-1:	C[5,6,6](C[5,3x6]C[6,6,6a]C[3x6]C[5])(C[6,6]C[3x6]C)(C[5]O[5]O)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[6,6]C[5])(C[3x6]C[3x6]C[6])(C[5]O[5]HH)	C[5](C[5,6,6]C[5,3x6]C[6,6])(O[5]C[5])(O)	C[5,6,6](C[5,3x6]C[6,6,6a]C[3x6]C[5])(C[6,6]C[3x6]C)(C[5]O[5]O){3|H<1>,4|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[6,6]C[5])(C[3x6]C[3x6]C[6])(C[5]O[5]HH){1|C<2>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6,6]C[5,3x6]C[6,6])(O[5]C[5])(O){1|C<4>,2|H<1>,3|C<3>}	108.0560	0.000	1	108.0560	0.000	1	108.0560	0.000	1	108.0560	0.000	1	111.7413	4.156	36	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,3x6]	C[5]	4:3:3:	3:4:3:3:	3:3:1:	C[5,3x6]-4:C[6,6]-3:C[5]-3:	C[5,6,6]-3:C[3x6]-4:C[6,6]-3:C[5]-3:	C[5,6,6]-3:N[5]-3:O-1:	C[5,6,6](C[5,3x6]C[3x6]C[6,6]C[5])(C[6,6]C[3x6]Cl)(C[5]N[5]O)	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]Cl)(C[5]N[5]O)	C[5](C[5,6,6]C[5,3x6]C[6,6])(N[5]C[5]C)(O)	C[5,6,6](C[5,3x6]C[3x6]C[6,6]C[5])(C[6,6]C[3x6]Cl)(C[5]N[5]O){2|Cl<1>,1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]Cl)(C[5]N[5]O){2|Cl<1>,1|O<1>,3|H<1>,4|C<4>}	C[5](C[5,6,6]C[5,3x6]C[6,6])(N[5]C[5]C)(O){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>}	109.1750	0.407	2	109.1750	0.166	2	109.1750	0.166	2	109.1750	0.166	2	111.7413	4.156	36	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,3x6]	C[5]	4:3:3:	4:3:4:2:	3:2:1:	C[5,3x6]-4:C[6,6]-3:C[5]-3:	C[5,6,6]-4:C[5,6,6]-3:C[6,6]-4:O[6,6]-2:	C[5,6,6]-3:O[5]-2:O-1:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]O[6,6])(C[6,6]C[3x6]H)(C[5]O[5]O)	C[5,3x6](C[5,6,6]C[3x6]C[6,6]O[5])(C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]HH)(O[6,6]O[6,6])	C[5](C[5,6,6]C[5,3x6]C[6,6])(O[5]C[5,6,6])(O)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]O[6,6])(C[6,6]C[3x6]H)(C[5]O[5]O){1|O<2>,3|C<4>,3|H<1>}	C[5,3x6](C[5,6,6]C[3x6]C[6,6]O[5])(C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]HH)(O[6,6]O[6,6]){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6])(O[5]C[5,6,6])(O){1|H<1>,1|O<2>,4|C<4>}	109.8430	0.000	1	109.8430	0.000	1	109.8430	0.000	1	109.8430	0.000	1	111.7413	4.156	36	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,3x6]	C[5]	4:3:3:	4:3:4:3:	3:3:1:	C[5,3x6]-4:C[5,6,6]-3:C[5]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:C[5,6a]-3:	C[5,6,6]-3:C[5,6a]-3:O-1:	C[5,6,6](C[5,3x6]C[5,6,6]2C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a])(C[5]C[5,6a]O)	C[5,3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[5,6,6]C[6,6]C[5]2)(C[5,6a]C[5,6a]C[6a])	C[5](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6,6](C[5,3x6]C[5,6,6]2C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a])(C[5]C[5,6a]O){1|H<1>,2|C<4>,8|C<3>}	C[5,3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[5,6,6]C[6,6]C[5]2)(C[5,6a]C[5,6a]C[6a]){1|C<4>,1|O<2>,2|H<1>,4|O<1>,8|C<3>}	C[5](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,3|C<3>,3|C<4>}	109.8928	0.119	4	109.8434	0.023	5	109.8434	0.023	5	109.8434	0.023	5	111.7413	4.156	36	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,3x6]	C[5]	4:3:3:	4:3:4:3:	3:3:1:	C[5,3x6]-4:C[5,6,6]-3:C[5]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:C[5,6a]-3:	C[5,6,6]-3:C[5,6a]-3:O-1:	C[5,6,6](C[5,3x6]C[5,6,6]2C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a])(C[5]C[5,6a]O)	C[5,3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[5,6,6]C[6,6]C[5]2)(C[5,6a]C[5,6a]C[6a])	C[5](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6,6](C[5,3x6]C[5,6,6]2C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a])(C[5]C[5,6a]O){1|H<1>,2|C<4>,8|C<3>}	C[5,3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[5,6,6]C[6,6]C[5]2)(C[5,6a]C[5,6a]C[6a]){1|C<4>,2|H<1>,4|O<1>,9|C<3>}	C[5](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,3|C<3>,3|C<4>}	109.6460	0.000	1	109.8434	0.023	5	109.8434	0.023	5	109.8434	0.023	5	111.7413	4.156	36	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,3x6]	C[5]	4:3:3:	4:4:3:3:	3:3:1:	C[5,3x6]-4:C[5,6,6]-3:C[5]-3:	C[5,5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:C[5,6a]-3:	C[5,6,6]-3:C[5,6a]-3:O-1:	C[5,6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a])(C[5]C[5,6a]O)	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]C[5])(C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[5,6a]C[5,6a]C[6a])	C[5](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a])(C[5]C[5,6a]O){1|H<1>,3|C<4>,7|C<3>}	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]C[5])(C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[5,6a]C[5,6a]C[6a]){1|C<4>,2|H<1>,2|O<2>,3|O<1>,9|C<3>}	C[5](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,3|C<3>,3|C<4>}	110.1010	0.000	1	110.1010	0.000	1	110.1010	0.000	1	110.1010	0.000	1	111.7413	4.156	36	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,3x6]	C[5]	4:4:3:	3:3:3:2:	3:4:1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:	C[5,6,6]-3:C[6,6]-3:C[6,6]-3:O[5]-2:	C[5,6,6]-3:C[5]-4:H-1:	C[5,6,6](C[5,3x6]C[6,6]2O[5])(C[6,6]C[3x6]HH)(C[5]C[5]H)	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[5](C[5,6,6]C[5,3x6]C[6,6])(C[5]O[5]HH)(H)	C[5,6,6](C[5,3x6]C[6,6]2O[5])(C[6,6]C[3x6]HH)(C[5]C[5]H){2|C<4>,2|H<1>,3|C<3>}	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[5](C[5,6,6]C[5,3x6]C[6,6])(C[5]O[5]HH)(H){1|C<4>,2|C<3>,2|H<1>}	108.7080	0.000	1	108.7080	0.000	1	108.7080	0.000	1	108.7080	0.000	1	111.7413	4.156	36	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,3x6]	C[5]	4:4:3:	3:3:3:3:	3:3:4:	C[5,3x6]-4:C[6,6]-4:C[5]-3:	C[5,6,6]-3:C[6,6]-3:C[6,6]-3:N[5]-3:	C[5,6,6]-3:C[5]-3:C-4:	C[5,6,6](C[5,3x6]C[6,6]2N[5])(C[6,6]C[3x6]HH)(C[5]C[5]C)	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]H)2(N[5]C[5]C)	C[5](C[5,6,6]C[5,3x6]C[6,6])(C[5]N[5]O)(CC[6a]HH)	C[5,6,6](C[5,3x6]C[6,6]2N[5])(C[6,6]C[3x6]HH)(C[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]H)2(N[5]C[5]C){1|O<1>,2|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6])(C[5]N[5]O)(CC[6a]HH){2|C<3>,2|C<4>,2|H<1>}	110.3560	0.000	1	110.3560	0.000	1	110.3560	0.000	1	110.3560	0.000	1	111.7413	4.156	36	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,3x6]	C[5]	4:4:3:	3:3:3:4:	3:3:1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:	C[6,6,6a]-3:C[5,6,6]-3:C[6,6]-3:C[5]-4:	C[5,6,6]-3:C[5]-3:H-1:	C[5,6,6](C[5,3x6]C[6,6,6a]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[5]C[5]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]H)(C[5]C[5]CH)	C[5](C[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]O)(H)	C[5,6,6](C[5,3x6]C[6,6,6a]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[5]C[5]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]H)(C[5]C[5]CH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]O)(H){2|C<3>,2|C<4>,3|H<1>}	112.6960	0.164	2	112.6960	0.027	2	112.6960	0.027	2	112.6960	0.027	2	111.7413	4.156	36	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,5,6,6]	C[5,6]	4:3:3:	3:3:4:3:	4:3:3:	C[5,5,6,6]-4:C[5,6]-3:C[6]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,5]-4:C[6]-3:	C[5,5,6]-4:C[5,6,6]-3:C[6a]-3:	C[5,6,6](C[5,5,6,6]C[5,6,6a]C[5,5]C[6])(C[5,6]C[5,5,6]C[6a])(C[6]C[6]H)	C[5,5,6,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6]C[6])(C[5,5]C[5,5,6]HH)(C[6]C[6]H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6]C[5,5,6,6]C[6])(C[6a]C[6a,6a]2)	C[5,6,6](C[5,5,6,6]C[5,6,6a]C[5,5]C[6])(C[5,6]C[5,5,6]C[6a])(C[6]C[6]H){5|C<3>,5|H<1>}	C[5,5,6,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6]C[6])(C[5,5]C[5,5,6]HH)(C[6]C[6]H){4|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6]C[5,5,6,6]C[6])(C[6a]C[6a,6a]2){3|H<1>,8|C<3>}	108.3610	0.000	1	108.3610	0.000	1	108.3610	0.000	1	108.3610	0.000	1	108.9190	0.623	2	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,5,6,6]	C[5,6]	4:3:4:	3:3:4:4:	4:3:3:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:	C[5,6,6]-3:C[5,5]-3:C[5,6]-4:C[6]-4:	C[5,5,6]-4:C[5,6,6]-3:C[6a]-3:	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]C[6a])(C[6]C[6]HH)	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(C[6]C[6]HH)	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6,6]C[5,5,6,6]C[6])(C[6a]C[6a]2)	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]C[6a])(C[6]C[6]HH){1|O<1>,2|C<4>,3|C<3>,6|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(C[6]C[6]HH){1|C<4>,2|C<3>,6|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6,6]C[5,5,6,6]C[6])(C[6a]C[6a]2){1|O<1>,3|C<4>,4|C<3>,6|H<1>}	109.4770	0.000	1	109.4770	0.000	1	109.4770	0.000	1	109.4770	0.000	1	108.9190	0.623	2	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,5,6]	C[5,5,6]	4:3:4:	4:4:3:1:	4:4:3:	C[5,5,6]-4:C[5,5,6]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,5,6]-4:C[5,6,6]-3:Cl-1:	C[5,6,6]-4:C[5,5,6]-4:C[5,6,6]-3:	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)	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[5,5,6]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>}	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>}	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>}	115.0060	0.000	1	115.0060	0.000	1	115.0060	0.000	1	115.0060	0.000	1	115.0060	0.000	1	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,5,6]	C[5,6,6]	3:4:3:	4:4:3:1:	4:4:3:	C[6,6,6a]-3:C[5,5,6]-4:C[5,6,6]-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[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)	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[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>}	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>}	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>}	111.8090	0.000	1	111.8090	0.000	1	111.8090	0.000	1	111.8090	0.000	1	112.6105	1.285	2	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,5,6]	C[5,6,6]	4:3:3:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6]-3:C[3x6]-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]-3:C[6,6,6a]-3:	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)	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[5,5,6]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>}	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>}	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>}	113.4120	0.000	1	113.4120	0.000	1	113.4120	0.000	1	113.4120	0.000	1	112.6105	1.285	2	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,5,6]	C[5,6]	4:3:4:	3:4:3:3:	3:4:2:	C[5,5,6]-4:C[5,6]-3:C[6,6]-4:	C[5,6,6]-3:C[5,6]-4:C[5]-3:C[5]-3:	C[5,6,6]-3:C[6]-4:O[5]-2:	C[5,6,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[6]O[5])(C[6,6]C[6]2C)	C[5,5,6](C[5,6,6]C[5,6]C[6,6])(C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O)(C[5]O[5]O)	C[5,6](C[5,6,6]C[5,5,6]C[6,6])(C[6]C[6]CC)(O[5]C[5])	C[5,6,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[6]O[5])(C[6,6]C[6]2C){1|C<3>,2|O<1>,4|H<1>,6|C<4>}	C[5,5,6](C[5,6,6]C[5,6]C[6,6])(C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O)(C[5]O[5]O){3|H<1>,7|C<4>}	C[5,6](C[5,6,6]C[5,5,6]C[6,6])(C[6]C[6]CC)(O[5]C[5]){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	108.8620	0.000	1	108.8620	0.000	1	108.8620	0.000	1	108.8620	0.000	1	108.8620	0.000	1	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:4:4:	3:3:3:4:	4:3:3:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6a]-3:C[3x6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3: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[5,6,6a]C[3x6]C)(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[3x6]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]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])(C[5,6,6]C[5,6,6a]C[3x6]C)(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[3x6]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	110.9760	0.000	1	110.9760	0.000	1	110.9760	0.000	1	110.9760	0.000	1	110.3764	4.485	57	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:4:4:	3:3:4:1:	3:3:4:	C[5,6,6]-3:C[5,6,6]-4:C[3x6]-4:	C[5,6,6]-3:C[5]-3:C[3x6]-4:H-1:	C[5,6,6]-3:C[5,6,6]-3:C[3x6]-4:	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5]C[5,6,6]C[6a])(C[3x6]C[6,6]2H)(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H){1|C<3>,5|C<4>,6|H<1>}	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5]C[5,6,6]C[6a])(C[3x6]C[6,6]2H)(H){2|C<3>,4|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H){1|C<3>,5|C<4>,7|H<1>}	108.9030	0.000	1	108.9030	0.000	1	108.9030	0.000	1	108.9030	0.000	1	110.3764	4.485	57	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	3:3:3:4:	3:4:3:	C[5,6,6]-4:C[3x6]-3:C[5,6,6]-3:	C[6,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-3: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]C)(C[3x6]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[3x6]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	C[5,6,6](C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6]2)(CF3){4|C<3>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	107.2045	0.004	2	107.2045	0.000	2	107.2045	0.000	2	107.9950	2.220	4	110.3764	4.485	57	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	3:3:3:4:	3:4:3:	C[5,6,6]-4:C[5,6,6]-3:C[3x6]-3:	C[6,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-3: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]C)(C[5,6,6]C[5,6,6]2)(C[3x6]C[6,6,6a]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]C[3x6])(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2)(C[3x6]C[6,6,6a]2){2|C<4>,7|C<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]C[3x6])(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	107.3430	0.000	1	107.3430	0.000	1	107.3430	0.000	1	107.9950	2.220	4	110.3764	4.485	57	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	3:3:3:4:	3:4:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3: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]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3)	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2C)(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]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3){4|C<4>,5|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2){3|C<4>,6|C<3>}	110.2280	0.000	1	110.2280	0.000	1	110.2280	0.000	1	107.9950	2.220	4	110.3764	4.485	57	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	3:3:3:4:	4:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(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]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3){4|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	120.6930	0.000	1	120.6930	0.000	1	120.6930	0.000	1	111.8260	34.967	4	110.3764	4.485	57	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	3:3:3:4:	4:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[6,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	C[5,6,6](C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6]2)(CF3){4|C<3>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{3|C<4>,7|C<3>}	108.9740	0.059	2	108.9740	0.004	2	108.8703	0.034	3	111.8260	34.967	4	110.3764	4.485	57	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	3:3:3:4:	4:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[6,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(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]C[3x6])(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<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]C[3x6])(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{3|C<4>,7|C<3>}	108.6630	0.000	1	108.6630	0.000	1	108.8703	0.034	3	111.8260	34.967	4	110.3764	4.485	57	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	4:4:3:1:	4:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[6,6,6a]-3:	C[5,5,6]-4:C[5,6,6]-4:C[5,6,6]-3:Cl-1:	C[5,5,6]-4:C[5,6,6]-3:C[3x6]-3:	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)	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[5,6,6](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>}	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>}	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>}	111.1150	0.000	1	111.1150	0.000	1	111.1150	0.000	1	111.1150	0.000	1	110.3764	4.485	57	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:4:	3:3:3:4:	3:4:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5a,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5a,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5a,6,6]C[5a,6,6a]C[5a,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CCFF)	C[5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5a,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	C[5,6,6](C[5a,6,6]C[5a,6,6a]C[5a,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CCFF){3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	110.2190	0.000	1	110.2190	0.000	1	110.2190	0.000	1	110.2190	0.000	1	110.3764	4.485	57	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:4:	3:3:3:4:	4:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CCFF)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]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]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CCFF){3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	109.6580	0.000	1	109.6580	0.000	1	109.9590	0.297	12	109.9429	0.251	15	110.3764	4.485	57	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:4:	3:3:3:4:	4:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]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]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	109.7680	0.324	2	109.8330	0.062	5	109.9590	0.297	12	109.9429	0.251	15	110.3764	4.485	57	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:4:	3:3:3:4:	4:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]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]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	109.8763	0.252	3	109.8330	0.062	5	109.9590	0.297	12	109.9429	0.251	15	110.3764	4.485	57	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:4:	3:3:3:4:	4:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]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]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	109.4780	0.000	1	110.1142	0.542	6	109.9590	0.297	12	109.9429	0.251	15	110.3764	4.485	57	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:4:	3:3:3:4:	4:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]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]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	110.2414	0.746	5	110.1142	0.542	6	109.9590	0.297	12	109.9429	0.251	15	110.3764	4.485	57	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:4:	3:3:3:4:	4:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[3x6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[3x6]C)	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[3x6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]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]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[3x6]C){2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[3x6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6]2)(CF3){4|C<3>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	110.2460	0.000	1	110.2460	0.000	1	110.2460	0.000	1	109.9429	0.251	15	110.3764	4.485	57	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:4:	3:3:3:4:	4:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C)	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]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]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C){3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3){4|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	109.6020	0.000	1	109.6020	0.000	1	109.6020	0.000	1	109.9429	0.251	15	110.3764	4.485	57	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:4:	3:3:3:4:	4:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[6,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(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]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	109.7870	0.000	1	109.7870	0.000	1	109.7870	0.000	1	109.9429	0.251	15	110.3764	4.485	57	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:4:	3:4:3:1:	4:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:H-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2H)	C[5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]P)(C[5,6,6]C[5,6,6]2)(H)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]P)(C[5,6,6a]C[5,6,6a]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]H)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2H){2|P<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]P)(C[5,6,6]C[5,6,6]2)(H){1|H<1>,2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]P)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){2|C<4>,2|H<1>,6|C<3>}	110.8450	0.000	1	110.8450	0.000	1	110.8450	0.000	1	110.8450	0.000	1	110.3764	4.485	57	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:4:	4:4:3:2:	4:4:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[3,5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:O-2:	C[3,5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6]O)(C[5,6,6]C[3,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2O)	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2)(OO)	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6]O)(C[5,6,6]C[3,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2O){2|C<4>,3|O<2>,6|C<3>}	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2)(OO){2|C<4>,2|O<2>,6|C<3>}	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2){2|C<4>,3|O<2>,6|C<3>}	112.1750	0.000	1	112.1750	0.000	1	112.1750	0.000	1	112.1750	0.000	1	110.3764	4.485	57	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:1:	4:4:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-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]-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)	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]2Cl)(C[5,6,6]C[5,6,6]2){3|Cl<1>,2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]2)3(Cl){3|Cl<1>,4|C<3>,4|C<4>}	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>}	112.0530	0.000	1	112.0530	0.000	1	112.0530	0.000	1	112.4252	0.525	5	110.3764	4.485	57	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:1:	4:4:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-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]-3:	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)	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[5,6,6]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>}	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>}	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>}	111.8665	0.416	2	111.8665	0.173	2	112.5182	0.643	4	112.4252	0.525	5	110.3764	4.485	57	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:1:	4:4:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-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]-3:	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)	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[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>}	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>}	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>}	113.1700	0.236	2	113.1700	0.056	2	112.5182	0.643	4	112.4252	0.525	5	110.3764	4.485	57	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:2:	4:4:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:O-2:	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]2O)(C[5,6,6]C[5,6,6]2O)(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])(C[5,6,6]C[5,6,6]2)2(OC)	C[5,6,6](C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2O)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2O)(C[5,6,6]C[5,6,6]2){2|O<2>,8|C<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]2)2(OC){2|O<2>,3|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2O)(C[5,6,6]C[5,6,6]2){2|O<2>,8|C<3>}	112.3748	0.585	4	112.3748	0.343	4	112.3748	0.343	4	112.3748	0.343	4	110.3764	4.485	57	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:4:	3:4:3:	C[5,5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6a]-3:C-4:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(CC[6a]HH)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6]){1|H<1>,3|C<4>,9|C<3>}	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(CC[6a]HH){3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2){3|C<4>,7|C<3>}	110.7280	0.000	1	110.7280	0.000	1	110.7280	0.000	1	110.1890	0.581	2	110.3764	4.485	57	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:4:	3:4:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3: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]C)2(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2C)(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]C)2(C[5,6,6]C[5,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,5|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2){4|C<4>,6|C<3>}	109.6500	0.000	1	109.6500	0.000	1	109.6500	0.000	1	110.1890	0.581	2	110.3764	4.485	57	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:4:	4:3:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2C)(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])(C[5,6,6]C[5,6,6]2)2(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2){3|C<4>,6|C<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]2)2(CF3){5|C<3>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{4|C<4>,7|C<3>}	108.7010	0.000	1	108.7010	0.000	1	108.6520	0.005	2	109.5730	0.440	7	110.3764	4.485	57	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:4:	4:3:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2C)(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])(C[5,6,6]C[5,6,6]2)2(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2){3|C<4>,6|C<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]2)2(CF3){5|C<3>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{4|C<4>,7|C<3>}	108.6030	0.000	1	108.6030	0.000	1	108.6520	0.005	2	109.5730	0.440	7	110.3764	4.485	57	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:4:	4:3:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]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]C)2(C[5,6,6]C[5,6,6a]C[5,6,6]){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3){3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	110.0740	0.232	2	110.0740	0.054	2	109.9414	0.065	5	109.5730	0.440	7	110.3764	4.485	57	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:4:	4:3:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]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]C)2(C[5,6,6]C[5,6,6a]C[5,6,6]){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3){3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	109.7000	0.076	2	109.8530	0.073	3	109.9414	0.065	5	109.5730	0.440	7	110.3764	4.485	57	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:4:	4:3:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]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]C)2(C[5,6,6]C[5,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3){5|C<3>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	110.1590	0.000	1	109.8530	0.073	3	109.9414	0.065	5	109.5730	0.440	7	110.3764	4.485	57	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:4:	4:4:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:C-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]2C)(C[5,6,6]C[5,6,6]2C)(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])(C[5,6,6]C[5,6,6]2)2(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<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]2)2(CF3){4|C<3>,6|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	111.2010	0.000	1	111.2010	0.000	1	111.8875	0.943	2	111.8875	0.943	2	110.3764	4.485	57	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:4:	4:4:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:C-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]C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6]2)3(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2C)(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]C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]2)3(CF3){5|C<3>,6|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	112.5740	0.000	1	112.5740	0.000	1	111.8875	0.943	2	111.8875	0.943	2	110.3764	4.485	57	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	4:3:3:1:	4:3:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-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]-3: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)	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[5,6,6]C[5,6,6]2Cl)2(C[5,6,6]C[5,6,6]2){2|Cl<1>,4|C<3>,4|C<4>}	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>}	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>}	110.9410	0.000	1	110.9410	0.000	1	108.6850	10.179	2	108.5298	3.549	4	110.3764	4.485	57	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	4:3:3:1:	4:3:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-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]-3: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)	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[5,6,6]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>}	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>}	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>}	106.4290	0.000	1	106.4290	0.000	1	108.6850	10.179	2	108.5298	3.549	4	110.3764	4.485	57	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	4:3:3:1:	4:3:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2H)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2(H)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2H)(C[5,6,6]C[5,6,6]2){4|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2(H){4|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{1|H<1>,4|C<4>,6|C<3>}	108.3745	0.610	2	108.3745	0.372	2	108.3745	0.372	2	108.5298	3.549	4	110.3764	4.485	57	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	4:3:3:1:	4:4:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-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]-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)	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[5,6,6a]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>}	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>}	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>}	112.3050	0.000	1	112.3050	0.000	1	112.3050	0.000	1	112.3050	0.000	1	110.3764	4.485	57	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	4:3:3:2:	4:3:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:O-2:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2O)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2)2(OO)	C[5,6,6](C[5,6,6]C[5,6,6a]2Br)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2O)(C[5,6,6]C[5,6,6]2){1|Br<1>,1|O<2>,2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2)2(OO){2|C<4>,2|O<2>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2Br)(C[5,6,6]C[5,6,6]2)2{1|Br<1>,2|C<4>,2|O<2>,6|C<3>}	108.3860	0.591	2	108.3860	0.349	2	108.3860	0.349	2	108.3860	0.349	2	110.3764	4.485	57	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	4:4:3:1:	3:4:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,5,6]-4:C[5,6,6]-4:C[5,6,6]-3:Cl-1:	C[6,6,6a]-3:C[5,5,6]-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[5,5,6]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)	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[5,6,6](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>}	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>}	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>}	112.8110	0.000	1	112.8110	0.000	1	112.8110	0.000	1	112.8110	0.000	1	110.3764	4.485	57	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5]	4:4:3:	3:4:4:1:	3:4:1:	C[5,6,6]-4:C[4,6,6]-4:C[5]-3:	C[5,6,6]-3:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-3:S[5]-4:H-1:	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[4,6,6]C[4,6]2H)(C[5]S[5]H)	C[5,6,6](C[5,6,6]C[4,6,6]C[5])(C[6,6]C[4,6,6]HH)(C[5]C[6a]S[5]H)(H)	C[5](C[5,6,6]C[4,6,6]C[5,6,6])(S[5]C[5]OO)(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[4,6,6]C[4,6]2H)(C[5]S[5]H){1|C<3>,2|O<1>,3|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[4,6,6]C[5])(C[6,6]C[4,6,6]HH)(C[5]C[6a]S[5]H)(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[5](C[5,6,6]C[4,6,6]C[5,6,6])(S[5]C[5]OO)(H){1|C<3>,3|C<4>,3|H<1>}	115.1875	1.156	2	115.1875	1.337	2	115.1875	1.337	2	115.1875	1.337	2	112.6838	6.280	5	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5]	4:4:3:	3:4:4:2:	3:3:1:	C[5,6,6]-4:C[5,6,6]-4:C[5]-3:	C[5,6,6]-3:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-3:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,6]C[6]O[5])(C[5]C[5]H)	C[5,6,6](C[5,6,6]C[5,6,6]C[5])(C[5,6]N[5,5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])	C[5](C[5,6,6]C[5,6,6]2)(C[5]O[5]O)(H)	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,6]C[6]O[5])(C[5]C[5]H){1|N<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,6,6]C[5])(C[5,6]N[5,5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,6,6]2)(C[5]O[5]O)(H){1|H<1>,4|C<4>}	110.3230	0.139	2	110.3230	0.019	2	110.3230	0.019	2	110.3230	0.019	2	112.6838	6.280	5	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5]	4:4:3:	3:4:4:3:	3:4:1:	C[5,6,6]-4:C[4,6,6]-4:C[5]-3:	C[5,6,6]-3:C[5,6]-4:C[5]-4:C[6]-3:	C[5,6,6]-3:C[5]-4:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[4,6,6]C[4,5,6]2H)(C[5]C[5]H)	C[5,6,6](C[5,6,6]C[4,6,6]C[5])(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)(C[6]N[6]O)	C[5](C[5,6,6]C[4,6,6]C[5,6,6])(C[5]C[5]HH)(H)	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[4,6,6]C[4,5,6]2H)(C[5]C[5]H){1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C[5,6,6](C[5,6,6]C[4,6,6]C[5])(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)(C[6]N[6]O){1|Cl<1>,4|C<4>,5|H<1>}	C[5](C[5,6,6]C[4,6,6]C[5,6,6])(C[5]C[5]HH)(H){1|C<3>,2|H<1>,4|C<4>}	112.3980	0.000	1	112.3980	0.000	1	112.3980	0.000	1	112.3980	0.000	1	112.6838	6.280	5	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,6]	C[5,6,6]	3:4:4:	3:4:2:1:	3:4:4:	C[5,6,6]-3:C[5,6]-4:C[6,6]-4:	C[5,6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6,6]-3:C[5,6]-4:C[6,6]-4:	C[5,6,6](C[5,6,6]C[5,6]C[6,6])(C[5,6]C[5,6]O[5]H)(C[6,6]C[5,6]C[6]H)	C[5,6](C[5,6,6]C[5,6,6]C[6,6])(C[5,6]C[5,6]C[5]H)(O[5]C[5,6])(H)	C[5,6,6](C[5,6,6]C[5,6]C[6,6])(C[5,6]C[5,6]O[5]H)(C[6,6]C[5,6]C[6]H)	C[5,6,6](C[5,6,6]C[5,6]C[6,6])(C[5,6]C[5,6]O[5]H)(C[6,6]C[5,6]C[6]H){2|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6,6])(C[5,6]C[5,6]C[5]H)(O[5]C[5,6])(H){1|C<3>,1|N<3>,1|O<1>,3|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[6,6])(C[5,6]C[5,6]O[5]H)(C[6,6]C[5,6]C[6]H){2|C<3>,4|C<4>,6|H<1>}	110.5030	1.813	2	110.5030	3.287	2	110.5030	3.287	2	110.5030	3.287	2	110.1947	1.929	3	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,6]	C[5,6,6]	3:4:4:	4:3:3:2:	3:4:3:	C[5,6,6]-3:C[5,6,6]-4:C[5,6]-4:	C[5,6]-4:C[5,6,6]-3:C[5]-3:O-2:	C[5,6,6]-3:C[5,6,6]-4:C[5,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6,6]C[5,6,6a]2O)(C[5,6]C[5,6]C[5]O)	C[5,6](C[5,6]C[5,6,6a]C[5,6a]C[6a])(C[5,6,6]C[5,6,6]2)(C[5]C[5,6]O)(OH)	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6,6]C[5,6,6a]2O)(C[5,6]C[5,6]C[5])	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6,6]C[5,6,6a]2O)(C[5,6]C[5,6]C[5]O){1|C<4>,2|O<2>,7|C<3>}	C[5,6](C[5,6]C[5,6,6a]C[5,6a]C[6a])(C[5,6,6]C[5,6,6]2)(C[5]C[5,6]O)(OH){1|O<2>,2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6,6]C[5,6,6a]2O)(C[5,6]C[5,6]C[5]){1|C<4>,4|O<2>,6|C<3>}	109.5780	0.000	1	109.5780	0.000	1	109.5780	0.000	1	109.5780	0.000	1	110.1947	1.929	3	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,6]	C[5,6]	3:4:4:	3:4:2:1:	3:4:4:	C[5,6]-3:C[5,6]-4:C[6,6]-4:	C[5,6,6]-3:C[6]-4:S[5]-2:H-1:	C[5,6,6]-3:C[5,6]-4:C[5]-4:	C[5,6,6](C[5,6]C[5,6]C[5])(C[5,6]C[6]S[5]H)(C[6,6]C[6]2H)	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6]HH)(S[5]C[5])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5,6]C[5,6]C[5]H)(C[5]S[5]HH)	C[5,6,6](C[5,6]C[5,6]C[5])(C[5,6]C[6]S[5]H)(C[6,6]C[6]2H){1|C<3>,3|C<4>,8|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6]HH)(S[5]C[5])(H){3|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5,6]C[5,6]C[5]H)(C[5]S[5]HH){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	117.3020	0.000	1	117.3020	0.000	1	117.3020	0.000	1	117.3020	0.000	1	112.2179	11.277	14	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,6]	C[5,6]	4:3:3:	3:4:4:3:	3:4:4:	C[5,6]-4:C[5,6]-3:N[6,6]-3:	C[5,6,6]-3:C[5]-4:C[6]-4:C-3:	C[5,6,6]-3:C[5]-4:C[6]-4:	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6])(N[6,6]C[6]2)	C[5,6](C[5,6,6]C[5,6]N[6,6])(C[5]C[5]HH)(C[6]C[6]HH)(COO)	C[5,6](C[5,6,6]C[5,6]N[6,6])(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6])(N[6,6]C[6]2){10|H<1>,1|O<1>,2|C<4>}	C[5,6](C[5,6,6]C[5,6]N[6,6])(C[5]C[5]HH)(C[6]C[6]HH)(COO){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]N[6,6])(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	114.2170	0.000	1	114.2170	0.000	1	114.2170	0.000	1	114.2170	0.000	1	112.2179	11.277	14	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,6]	C[5,6]	4:3:3:	3:4:4:4:	3:4:3:	C[5,6]-4:C[5,6]-3:C[6,6]-3:	C[5,6,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6,6]-3:C[5]-4:C[6]-3:	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6])(C[6,6]C[6]2)	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]N[6]HH)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]C[6]H)	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6])(C[6,6]C[6]2){11|H<1>,1|C<4>,1|N<3>}	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]N[6]HH)(CH3){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]C[6]H){4|C<4>,4|H<1>}	110.8000	0.000	1	110.8000	0.000	1	110.8000	0.000	1	110.8000	0.000	1	112.2179	11.277	14	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,6]	C[5,6]	4:4:3:	3:4:2:1:	3:4:3:	C[6,6]-4:C[5,6]-4:C[5,6]-3:	C[5,6,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6,6]-3:C[6]-4:C[5]-3:	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6]HH)(C[5]O[5]O)	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5,6]C[5]C[6]){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,2|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6]HH)(C[5]O[5]O){3|C<4>,4|H<1>}	110.6870	0.000	1	110.6870	0.000	1	110.6870	0.000	1	110.6870	0.000	1	112.2179	11.277	14	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,6]	C[5,6]	4:4:3:	3:4:2:1:	3:4:4:	C[6,6]-4:C[5,6]-4:C[5,6]-3:	C[5,6,6]-3:C[6]-4:S[5]-2:H-1:	C[5,6,6]-3:C[6]-4:C[5]-4:	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[6]S[5]H)(C[5,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6]HH)(S[5]C[5])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[5,6]C[6a]H)(C[5]S[5]HH)	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[6]S[5]H)(C[5,6]C[5]C[6]){2|C<3>,2|C<4>,8|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6]HH)(S[5]C[5])(H){3|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[5,6]C[6a]H)(C[5]S[5]HH){3|C<3>,3|C<4>,3|H<1>}	119.2640	0.000	1	119.2640	0.000	1	119.2640	0.000	1	119.2640	0.000	1	112.2179	11.277	14	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,6]	C[5,6]	4:4:3:	3:4:3:4:	3:3:2:	C[6,6]-4:C[5,6]-4:C[5,6]-3:	C[5,6,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6,6]-3:C[6]-3:O[5]-2:	C[5,6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6]HH)(C[5]O[5]O)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6,6a]O)(O[5]C[5])	C[5,6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6]HH)(C[5]O[5]O)(CH3){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6,6a]O)(O[5]C[5]){1|O<1>,2|C<3>,4|C<4>}	108.6070	0.000	1	108.6070	0.000	1	108.6070	0.000	1	108.6070	0.000	1	112.2179	11.277	14	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,6]	C[5,6]	4:4:3:	3:4:3:4:	3:3:3:	C[5,6,6]-4:C[5,6]-4:C[5,6]-3:	C[5,6,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6,6]-3:C[5]-3:C[6]-3:	C[5,6,6](C[5,6,6]C[5,6]2O)(C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[6]C[6]CH)(C[5]C[5]H)(CH3)	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[5]C[5a]C[5])(C[6]C[6]O)	C[5,6,6](C[5,6,6]C[5,6]2O)(C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]){1|O<1>,1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[6]C[6]CH)(C[5]C[5]H)(CH3){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[5]C[5a]C[5])(C[6]C[6]O){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	110.8620	0.000	1	110.8620	0.000	1	110.8620	0.000	1	110.8620	0.000	1	112.2179	11.277	14	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,6]	C[5,6]	4:4:3:	3:4:4:1:	3:4:3:	C[5,6,6]-4:C[5,6]-4:C[5,6]-3:	C[5,6,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6,6]-3:C[6]-4:C[5]-3:	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]O)	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6]){1|O<1>,2|O<2>,4|C<4>,9|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]O){4|C<4>,5|H<1>}	113.4260	0.000	1	113.4260	0.000	1	113.4260	0.000	1	113.6020	0.024	3	112.2179	11.277	14	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,6]	C[5,6]	4:4:3:	3:4:4:1:	3:4:3:	C[6,6]-4:C[5,6]-4:C[5,6]-3:	C[5,6,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6,6]-3:C[6]-4:C[5]-3:	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[5,6]HH)(C[5]C[5]O)	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6]){1|O<1>,3|C<4>,9|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[5,6]HH)(C[5]C[5]O){1|C<3>,3|C<4>,5|H<1>}	113.6900	0.049	2	113.6900	0.002	2	113.6900	0.002	2	113.6020	0.024	3	112.2179	11.277	14	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,6]	C[5,6]	4:4:3:	3:4:4:4:	3:3:2:	C[6,6]-4:C[5,6]-4:C[5,6]-3:	C[5,6,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6,6]-3:C[6]-3:O[5]-2:	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]O[5]HH)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6,6]O)(O[5]C[5])	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]){1|C<3>,1|O<1>,2|C<4>,2|O<2>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]O[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6,6]O)(O[5]C[5]){1|C<3>,2|H<1>,5|C<4>}	108.1880	0.000	1	108.1880	0.000	1	108.1090	0.012	2	108.1090	0.012	2	112.2179	11.277	14	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,6]	C[5,6]	4:4:3:	3:4:4:4:	3:3:2:	C[6,6]-4:C[5,6]-4:C[5,6]-3:	C[5,6,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6,6]-3:C[6]-3:O[5]-2:	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]O[5]HO)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6,6]O)(O[5]C[5])	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]){1|C<3>,1|O<1>,2|C<4>,3|O<2>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]O[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6,6]O)(O[5]C[5]){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	108.0300	0.000	1	108.0300	0.000	1	108.1090	0.012	2	108.1090	0.012	2	112.2179	11.277	14	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,6]	C[5,6]	4:4:3:	3:4:4:4:	3:4:2:	C[6,6]-4:C[5,6]-4:C[5,6]-3:	C[5,6,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6,6]-3:C[6]-4:O[5]-2:	C[5,6,6](C[6,6]C[5,6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]O[5]HH)(C[6]C[6]HO)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[5,6]HH)(O[5]C[5])	C[5,6,6](C[6,6]C[5,6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]){1|O<2>,4|C<4>,7|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]O[5]HH)(C[6]C[6]HO)(CH3){2|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[5,6]HH)(O[5]C[5]){3|H<1>,6|C<4>}	109.4120	0.000	1	109.4120	0.000	1	109.4120	0.000	1	109.4120	0.000	1	112.2179	11.277	14	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5,6]	C[5,6]	4:4:3:	3:4:4:4:	3:4:4:	C[5,6]-4:C[6,6]-4:C[5,6]-3:	C[5,6,6]-3:C[3,5]-4:C[6]-4:C-4:	C[5,6,6]-3:C[3,5]-4:C[6]-4:	C[5,6,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5,6]C[3,5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[3,5]C[3,5]C[3]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[3,5]C[3,5]C[3]H)(C[6]C[6,6]HH)	C[5,6,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5,6]C[3,5]C[6]){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[3,5]C[3,5]C[3]H)(C[6]C[6]HH)(CH3){3|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[3,5]C[3,5]C[3]H)(C[6]C[6,6]HH){5|C<4>,5|H<1>}	112.8750	0.000	1	112.8750	0.000	1	112.8750	0.000	1	112.8750	0.000	1	112.2179	11.277	14	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5]	C[5,6,6]	3:4:4:	3:3:3:2:	3:4:4:	C[5,6,6]-3:C[3x6]-4:C[5]-4:	C[5,6,6]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[5,6,6]-3:C[3x6]-4:C[5]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6,6a]2H)(C[5]C[6a]2O[5])	C[5](C[5,6,6]C[5,6,6]C[3x6])(C[6a]C[6a]2)2(O[5]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6,6a]2H)(C[5]C[6a]2O[5])	C[5,6,6](C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6,6a]2H)(C[5]C[6a]2O[5]){10|C<3>,1|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6])(C[6a]C[6a]2)2(O[5]C[5]){1|C<4>,5|H<1>,8|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6,6a]2H)(C[5]C[6a]2O[5]){10|C<3>,1|H<1>}	111.6230	1.370	2	111.6230	1.878	2	111.6230	1.878	2	111.6230	1.878	2	111.6171	2.140	9	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5]	C[5,6,6]	4:3:4:	3:2:1:1:	3:4:3:	C[5,3x6]-4:C[5,6,6]-3:C[5]-4:	C[5,6,6]-3:O[5]-2:H-1:H-1:	C[5,6,6]-3:C[3x6]-4:C[5]-3:	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[5,6,6]C[3x6]C[5])(C[5]O[5]HH)	C[5](C[5,6,6]C[5,3x6]C[5,6,6])(O[5]C[5])(H)2	C[5,6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]N[6,6]H)(C[5]O[5]O)	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[5,6,6]C[3x6]C[5])(C[5]O[5]HH){1|N<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,3x6]C[5,6,6])(O[5]C[5])(H)2{1|O<1>,1|O<2>,3|C<4>}	C[5,6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]N[6,6]H)(C[5]O[5]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	109.9955	0.209	2	109.9955	0.044	2	109.9600	0.026	3	109.9600	0.026	3	111.6171	2.140	9	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5]	C[5,6,6]	4:3:4:	3:2:1:1:	3:4:3:	C[5,3x6]-4:C[5,6,6]-3:C[5]-4:	C[5,6,6]-3:O[5]-2:H-1:H-1:	C[5,6,6]-3:C[3x6]-4:C[5]-3:	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[5,6,6]C[3x6]C[5])(C[5]O[5]HH)	C[5](C[5,6,6]C[5,3x6]C[5,6,6])(O[5]C[5])(H)2	C[5,6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]O[6,6]H)(C[5]O[5]O)	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[5,6,6]C[3x6]C[5])(C[5]O[5]HH){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,3x6]C[5,6,6])(O[5]C[5])(H)2{1|O<1>,1|O<2>,3|C<4>}	C[5,6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]O[6,6]H)(C[5]O[5]O){1|O<2>,2|C<4>,4|H<1>}	109.8890	0.000	1	109.8890	0.000	1	109.9600	0.026	3	109.9600	0.026	3	111.6171	2.140	9	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5]	C[5,6,6]	4:3:4:	3:3:1:1:	4:3:4:	C[3x6]-4:C[5,6,6]-3:C[5]-4:	C[5,6,6]-3:N[5]-3:H-1:H-1:	C[3x6]-4:C[5,6,6]-3:C[5]-4:	C[5,6,6](C[3x6]N[5a,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5])(C[5]N[5]HH)	C[5](C[5,6,6]C[5,6,6]C[3x6])(N[5]C[5]S)(H)2	C[5,6,6](C[3x6]N[5a,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5])(C[5]N[5]HH)	C[5,6,6](C[3x6]N[5a,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5])(C[5]N[5]HH){1|C<3>,1|N<3>,1|S<4>,2|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6])(N[5]C[5]S)(H)2{1|N<3>,2|H<1>,3|C<4>}	C[5,6,6](C[3x6]N[5a,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5])(C[5]N[5]HH){1|N<3>,1|S<4>,2|C<3>,2|H<1>,3|C<4>}	113.2480	0.000	1	112.7505	0.495	2	112.7505	0.495	2	112.7505	0.495	2	111.6171	2.140	9	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5]	C[5,6,6]	4:3:4:	3:3:1:1:	4:3:4:	C[3x6]-4:C[5,6,6]-3:C[5]-4:	C[5,6,6]-3:N[5]-3:H-1:H-1:	C[3x6]-4:C[5,6,6]-3:C[5]-4:	C[5,6,6](C[3x6]N[5a,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5])(C[5]N[5]HH)	C[5](C[5,6,6]C[5,6,6]C[3x6])(N[5]C[5]S)(H)2	C[5,6,6](C[3x6]N[5a,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5])(C[5]N[5]HH)	C[5,6,6](C[3x6]N[5a,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5])(C[5]N[5]HH){1|N<3>,1|S<4>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6,6]C[5,6,6]C[3x6])(N[5]C[5]S)(H)2{1|N<3>,2|H<1>,3|C<4>}	C[5,6,6](C[3x6]N[5a,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5])(C[5]N[5]HH){1|C<3>,1|N<3>,1|S<4>,2|C<4>,4|H<1>}	112.2530	0.000	1	112.7505	0.495	2	112.7505	0.495	2	112.7505	0.495	2	111.6171	2.140	9	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5]	C[5,6,6]	4:3:4:	3:4:1:1:	4:3:4:	C[3x6]-4:C[5,6,6]-3:C[5]-4:	C[5,6,6]-3:C[5]-4:H-1:H-1:	C[3x6]-4:C[5,6,6]-3:C[5]-4:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5])(C[5]C[5]HH)	C[5](C[5,6,6]C[5,6,6]C[3x6])(C[5]C[5]CC)(H)2	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5])(C[5]C[5]HH)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5])(C[5]C[5]HH){1|C<3>,3|H<1>,7|C<4>}	C[5](C[5,6,6]C[5,6,6]C[3x6])(C[5]C[5]CC)(H)2{2|H<1>,4|C<4>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5])(C[5]C[5]HH){1|C<3>,5|C<4>,5|H<1>}	113.3270	0.000	1	112.9635	0.264	2	112.9635	0.264	2	112.9635	0.264	2	111.6171	2.140	9	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6,6]	C[5]	C[5,6,6]	4:3:4:	3:4:1:1:	4:3:4:	C[3x6]-4:C[5,6,6]-3:C[5]-4:	C[5,6,6]-3:C[5]-4:H-1:H-1:	C[3x6]-4:C[5,6,6]-3:C[5]-4:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5])(C[5]C[5]HH)	C[5](C[5,6,6]C[5,6,6]C[3x6])(C[5]C[5]CC)(H)2	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5])(C[5]C[5]HH)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5])(C[5]C[5]HH){1|C<3>,5|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6])(C[5]C[5]CC)(H)2{2|H<1>,4|C<4>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5])(C[5]C[5]HH){1|C<3>,3|H<1>,7|C<4>}	112.6000	0.000	1	112.9635	0.264	2	112.9635	0.264	2	112.9635	0.264	2	111.6171	2.140	9	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[3x5,6,6]	C[5,6]	4:3:4:	4:4:3:1:	4:3:4:	C[3x5,6,6]-4:C[5,6]-3:C-4:	C[3x5,6,6]-4:C[4,3x5,6]-4:C[5,6]-3:H-1:	C[4,5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[3x5,6,6]C[3x5,6,6]C[4,3x5,6]H)(C[5,6]C[4,5,5,6]C)(CC3)	C[3x5,6,6](C[3x5,6,6]C[4,3x5,6]C[5,6]H)(C[4,3x5,6]C[4,5,5,6]2C)(C[5,6]C[5,6]C)(H)	C[5,6](C[4,5,5,6]C[4,3x5,6]2H)(C[5,6]C[3x5,6,6]C)(CC3)	C[5,6](C[3x5,6,6]C[3x5,6,6]C[4,3x5,6]H)(C[5,6]C[4,5,5,6]C)(CC3){1|C<3>,2|H<1>,3|C<4>}	C[3x5,6,6](C[3x5,6,6]C[4,3x5,6]C[5,6]H)(C[4,3x5,6]C[4,5,5,6]2C)(C[5,6]C[5,6]C)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[4,5,5,6]C[4,3x5,6]2H)(C[5,6]C[3x5,6,6]C)(CC3){1|H<1>,4|C<4>}	106.7280	0.000	1	106.7280	0.000	1	106.7280	0.000	1	106.7280	0.000	1	106.7280	0.000	1	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[3x5,6]	C[5,6]	4:3:1:	4:4:4:3:	4:3:1:	C[3x5,6]-4:C[5,6]-3:H-1:	C[3x5]-4:C[5,5,6]-4:C[5]-4:C[5,6]-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[3x5,6]C[5,5,6]C[3x5]C[5])(C[5,6]C[5,5,6]H)(H)	C[3x5,6](C[3x5]C[5,5,6]N[5,5a]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5,5a]C[6a]2)(C[5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[3x5]H)(C[5,6]C[3x5,6]H)(H)	C[5,6](C[3x5,6]C[5,5,6]C[3x5]C[5])(C[5,6]C[5,5,6]H)(H){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	C[3x5,6](C[3x5]C[5,5,6]N[5,5a]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5,5a]C[6a]2)(C[5,6]C[5,6]H){1|C<4>,4|H<1>,7|C<3>}	C[5,6](C[5,5,6]C[5,5,6]C[3x5]H)(C[5,6]C[3x5,6]H)(H){1|N<3>,2|H<1>,3|C<4>}	106.2940	0.000	1	106.2940	0.000	1	106.2940	0.000	1	106.2940	0.000	1	109.0579	4.610	8	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[3x5,6]	C[5,6]	4:3:3:	3:3:3:4:	3:3:4:	C[3x5,6]-4:C[6,6a]-3:C[5,6]-3:	C[5,6,6a]-3:C[5,6]-3:C[3x5]-3:C[5,6]-4:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6](C[3x5,6]C[5,6,6a]C[3x5]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])	C[3x5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6]C[6,6a]C[5,6])(C[3x5]C[5,5,6]C[5])(C[5,6]C[5,6]CC)	C[5,6](C[5,6]C[3x5,6]C[6,6a])(C[5]C[3x5]Si)(C[6]C[6]HH)	C[5,6](C[3x5,6]C[5,6,6a]C[3x5]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]){1|Si<4>,2|C<2>,3|C<4>,3|H<1>,4|C<3>}	C[3x5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6]C[6,6a]C[5,6])(C[3x5]C[5,5,6]C[5])(C[5,6]C[5,6]CC){1|Si<4>,1|C<4>,1|H<1>,2|C<2>,5|C<3>}	C[5,6](C[5,6]C[3x5,6]C[6,6a])(C[5]C[3x5]Si)(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	107.3050	0.000	1	107.3050	0.000	1	107.3050	0.000	1	107.3050	0.000	1	109.0579	4.610	8	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[3x5,6]	C[5,6]	4:3:4:	3:4:3:4:	4:3:4:	C[3x5,6]-4:C[5,6]-3:C-4:	P[4,5,5,6,6]-3:C[3x5,6,6]-4:C[5,6]-3:C-4:	C[5,5,3x6]-4:C[5,6]-3:C-4:	C[5,6](C[3x5,6]P[4,5,5,6,6]C[3x5,6,6]C)(C[5,6]C[5,5,3x6]C)(CH3)	C[3x5,6](P[4,5,5,6,6]C[4,5,5,6,6]P[4,5,3x6])(C[3x5,6,6]C[5,5,3x6]C[5,5,6,6]C)(C[5,6]C[5,6]C)(CH3)	C[5,6](C[5,5,3x6]C[3x5,6,6]P[4,5,3x6]C)(C[5,6]C[3x5,6]C)(CH3)	C[5,6](C[3x5,6]P[4,5,5,6,6]C[3x5,6,6]C)(C[5,6]C[5,5,3x6]C)(CH3){1|P<4>,4|C<4>}	C[3x5,6](P[4,5,5,6,6]C[4,5,5,6,6]P[4,5,3x6])(C[3x5,6,6]C[5,5,3x6]C[5,5,6,6]C)(C[5,6]C[5,6]C)(CH3){1|C<3>,1|I<1>,5|C<4>}	C[5,6](C[5,5,3x6]C[3x5,6,6]P[4,5,3x6]C)(C[5,6]C[3x5,6]C)(CH3){1|I<1>,1|P<3>,4|C<4>}	111.5140	0.000	1	110.6083	0.706	3	110.6083	0.706	3	110.6083	0.706	3	109.0579	4.610	8	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[3x5,6]	C[5,6]	4:3:4:	3:4:3:4:	4:3:4:	C[3x5,6]-4:C[5,6]-3:C-4:	P[4,5,5,6,6]-3:C[3x5,6,6]-4:C[5,6]-3:C-4:	C[5,5,3x6]-4:C[5,6]-3:C-4:	C[5,6](C[3x5,6]P[4,5,5,6,6]C[3x5,6,6]C)(C[5,6]C[5,5,3x6]C)(CH3)	C[3x5,6](P[4,5,5,6,6]C[4,5,5,6,6]P[4,5,3x6])(C[3x5,6,6]C[5,5,3x6]C[5,5,6,6]C)(C[5,6]C[5,6]C)(CH3)	C[5,6](C[5,5,3x6]C[3x5,6,6]P[4,5,3x6]C)(C[5,6]C[3x5,6]C)(CH3)	C[5,6](C[3x5,6]P[4,5,5,6,6]C[3x5,6,6]C)(C[5,6]C[5,5,3x6]C)(CH3){1|P<4>,4|C<4>}	C[3x5,6](P[4,5,5,6,6]C[4,5,5,6,6]P[4,5,3x6])(C[3x5,6,6]C[5,5,3x6]C[5,5,6,6]C)(C[5,6]C[5,6]C)(CH3){1|Cl<1>,1|C<3>,5|C<4>}	C[5,6](C[5,5,3x6]C[3x5,6,6]P[4,5,3x6]C)(C[5,6]C[3x5,6]C)(CH3){1|Cl<1>,1|P<3>,4|C<4>}	110.4570	0.000	1	110.6083	0.706	3	110.6083	0.706	3	110.6083	0.706	3	109.0579	4.610	8	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[3x5,6]	C[5,6]	4:3:4:	3:4:3:4:	4:3:4:	C[3x5,6]-4:C[5,6]-3:C-4:	P[4,5,5,6,6]-3:C[3x5,6,6]-4:C[5,6]-3:C-4:	C[5,5,3x6]-4:C[5,6]-3:C-4:	C[5,6](C[3x5,6]P[4,5,5,6,6]C[3x5,6,6]C)(C[5,6]C[5,5,3x6]C)(CH3)	C[3x5,6](P[4,5,5,6,6]C[4,5,5,6,6]P[4,5,3x6])(C[3x5,6,6]C[5,5,3x6]C[5,5,6,6]C)(C[5,6]C[5,6]C)(CH3)	C[5,6](C[5,5,3x6]C[3x5,6,6]P[4,5,3x6]C)(C[5,6]C[3x5,6]C)(CH3)	C[5,6](C[3x5,6]P[4,5,5,6,6]C[3x5,6,6]C)(C[5,6]C[5,5,3x6]C)(CH3){1|P<4>,4|C<4>}	C[3x5,6](P[4,5,5,6,6]C[4,5,5,6,6]P[4,5,3x6])(C[3x5,6,6]C[5,5,3x6]C[5,5,6,6]C)(C[5,6]C[5,6]C)(CH3){1|Ga<4>,1|C<3>,5|C<4>}	C[5,6](C[5,5,3x6]C[3x5,6,6]P[4,5,3x6]C)(C[5,6]C[3x5,6]C)(CH3){1|Ga<4>,1|P<3>,4|C<4>}	109.8540	0.000	1	110.6083	0.706	3	110.6083	0.706	3	110.6083	0.706	3	109.0579	4.610	8	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[3x5,6]	C[5,6]	4:3:4:	4:4:3:3:	4:3:4:	C[3x5,6]-4:C[5,6]-3:C-4:	C[3,5,5,6]-4:C[4x5]-4:C[5,6]-3:C-3:	C[3x5,6]-4:C[5,6]-3:C-4:	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]C)(C[5,6]C[3x5,6]C)(CH3)	C[3x5,6](C[3,5,5,6]C[3,5,5,6]P[3,5,5]C)(C[4x5]C[3x5,6]P[5,5]H)(C[5,6]C[5,6]C)(COO)	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]C)(C[5,6]C[3x5,6]C)(CH3)	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]C)(C[5,6]C[3x5,6]C)(CH3){1|H<1>,1|P<3>,1|P<4>,3|C<4>}	C[3x5,6](C[3,5,5,6]C[3,5,5,6]P[3,5,5]C)(C[4x5]C[3x5,6]P[5,5]H)(C[5,6]C[5,6]C)(COO){1|Mo<6>,4|C<4>}	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]C)(C[5,6]C[3x5,6]C)(CH3){1|C<3>,1|H<1>,1|P<3>,1|P<4>,2|C<4>}	106.7170	0.000	1	106.7170	0.000	1	106.7170	0.000	1	106.7170	0.000	1	109.0579	4.610	8	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[3x5,6]	C[5,6]	4:3:4:	4:4:3:4:	4:3:4:	C[3x5,6]-4:C[5,6]-3:C-4:	C[3,5,5,6]-4:C[4x5]-4:C[5,6]-3:C-4:	C[3x5,6]-4:C[5,6]-3:C-4:	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]C)(C[5,6]C[3x5,6]C)(CH3)	C[3x5,6](C[3,5,5,6]C[3,5,5,6]P[3,5,5]C)(C[4x5]C[3x5,6]P[5,5]H)(C[5,6]C[5,6]C)(CH3)	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]C)(C[5,6]C[3x5,6]C)(CH3)	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]C)(C[5,6]C[3x5,6]C)(CH3){1|C<3>,1|H<1>,1|P<3>,1|P<4>,2|C<4>}	C[3x5,6](C[3,5,5,6]C[3,5,5,6]P[3,5,5]C)(C[4x5]C[3x5,6]P[5,5]H)(C[5,6]C[5,6]C)(CH3){1|Mo<6>,1|C<3>,3|C<4>}	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]C)(C[5,6]C[3x5,6]C)(CH3){1|H<1>,1|P<3>,1|P<4>,3|C<4>}	108.5760	0.000	1	108.5760	0.000	1	108.5760	0.000	1	110.1610	5.024	2	109.0579	4.610	8	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[3x5,6]	C[5,6]	4:3:4:	4:4:3:4:	4:3:4:	C[3x5,6]-4:C[5,6]-3:C-4:	C[4,3x5]-4:P[5,5,6]-4:C[5,6]-3:C-4:	C[4,5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[3x5,6]C[4,3x5]P[5,5,6]C)(C[5,6]C[4,5,5,6]C)(CH3)	C[3x5,6](C[4,3x5]C[4,5,5,6]P[4,5]C)(P[5,5,6]P[4,5,5,6]HW)(C[5,6]C[5,6]C)(CH3)	C[5,6](C[4,5,5,6]P[4,5,5,6]C[4,3x5]C)(C[5,6]C[3x5,6]C)(CH3)	C[5,6](C[3x5,6]C[4,3x5]P[5,5,6]C)(C[5,6]C[4,5,5,6]C)(CH3){1|H<1>,1|P<3>,1|P<4>,1|W<6>,2|C<4>}	C[3x5,6](C[4,3x5]C[4,5,5,6]P[4,5]C)(P[5,5,6]P[4,5,5,6]HW)(C[5,6]C[5,6]C)(CH3){1|H<1>,1|W<6>,2|C<4>}	C[5,6](C[4,5,5,6]P[4,5,5,6]C[4,3x5]C)(C[5,6]C[3x5,6]C)(CH3){1|P<3>,1|P<4>,1|W<6>,2|C<4>}	111.7460	0.000	1	111.7460	0.000	1	111.7460	0.000	1	110.1610	5.024	2	109.0579	4.610	8	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[3x5,6]	C[5]	4:3:3:	4:4:3:3:	3:3:1:	C[3x5,6]-4:C[5]-3:C[6]-3:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C[5,5]-3:	C[5,6]-3:C[5]-3:O-1:	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[5]C[5]O)(C[6]C[6]C)	C[3x5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[5,5]C[5]2)	C[5](C[5,6]C[3x5,6]C[6])(C[5]C[5,5]Si)(O)	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[5]C[5]O)(C[6]C[6]C){1|Si<4>,1|O<2>,4|C<4>,4|H<1>}	C[3x5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[5,5]C[5]2){1|Si<4>,1|O<1>,2|C<4>,8|H<1>}	C[5](C[5,6]C[3x5,6]C[6])(C[5]C[5,5]Si)(O){5|C<4>}	107.9040	0.000	1	107.9040	0.000	1	107.9040	0.000	1	107.9040	0.000	1	107.9040	0.000	1	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[3x5]	C[5,6]	4:3:3:	3:4:4:4:	3:3:4:	C[3x5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6](C[3x5]C[5,5]2C[5])(C[5,6]C[5]C[6])(C[6]C[6]O)	C[3x5](C[5,6]C[5,6]C[6])(C[5,5]C[5]2H)(C[5,5]O[5]2H)(C[5]C[5]HH)	C[5,6](C[5,6]C[3x5]C[6])(C[5]C[5,5]O)(C[6]C[6]HH)	C[5,6](C[3x5]C[5,5]2C[5])(C[5,6]C[5]C[6])(C[6]C[6]O){1|C<3>,1|O<1>,2|C<4>,2|O<2>,8|H<1>}	C[3x5](C[5,6]C[5,6]C[6])(C[5,5]C[5]2H)(C[5,5]O[5]2H)(C[5]C[5]HH){2|C<4>,2|H<1>,3|O<1>}	C[5,6](C[5,6]C[3x5]C[6])(C[5]C[5,5]O)(C[6]C[6]HH){1|H<1>,1|O<1>,6|C<4>}	114.1960	0.000	1	114.1960	0.000	1	114.1960	0.000	1	114.1960	0.000	1	114.1960	0.000	1	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[4x5,6,6]	C[5,6]	4:3:1:	4:4:4:3:	4:3:1:	C[4x5,6,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[3x5,3x6]-4:C[5,6]-4:C[5,6]-3:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,6](C[4x5,6,6]C[3x5,3x6]C[3x5,6]C[5,6])(C[5,6]C[5,5,6,6]H)(H)	C[4x5,6,6](C[3x5,6]C[5,5,6,6]C[5,6]H)(C[3x5,3x6]C[5,6,6]2C[5])(C[5,6]C[6]O[5]C)(C[5,6]C[5,6]H)	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]C)(C[5,6]C[4x5,6,6]H)(H)	C[5,6](C[4x5,6,6]C[3x5,3x6]C[3x5,6]C[5,6])(C[5,6]C[5,5,6,6]H)(H){1|C<3>,1|H<1>,1|O<2>,6|C<4>}	C[4x5,6,6](C[3x5,6]C[5,5,6,6]C[5,6]H)(C[3x5,3x6]C[5,6,6]2C[5])(C[5,6]C[6]O[5]C)(C[5,6]C[5,6]H){1|O<1>,2|C<4>,2|O<2>,6|H<1>}	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]C)(C[5,6]C[4x5,6,6]H)(H){3|C<4>,3|H<1>}	108.0590	0.000	1	108.0590	0.000	1	108.0590	0.000	1	108.0590	0.000	1	108.0590	0.000	1	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,3x6]	C[5]	4:3:3:	4:4:3:1:	3:4:3:	C[5,3x6]-4:C[5]-3:C[6]-3:	C[5,6,6]-4:C[4x6]-4:C[5,6]-3:H-1:	C[5,6]-3:C[5]-4:C-3:	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[5]C[5]C)(C[6]C[6]C)	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(H)	C[5](C[5,6]C[5,3x6]C[6])(C[5]C[5,6,6]HO)(CCC)	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[5]C[5]C)(C[6]C[6]C){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(H){1|O<1>,2|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,3x6]C[6])(C[5]C[5,6,6]HO)(CCC){1|C<3>,2|H<1>,3|C<4>}	111.6870	0.000	1	111.6870	0.000	1	111.6870	0.000	1	111.6870	0.000	1	111.6514	0.298	14	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,3x6]	C[5]	4:3:3:	4:4:3:1:	4:3:3:	C[5,3x6]-4:C[5]-3:C[6]-3:	C[5,5,6,6]-4:C[4x6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-3:C-3:	C[5,6](C[5,3x6]C[5,5,6,6]C[4x6]H)(C[5]C[5,5]C)(C[6]C[6]C)	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(H)	C[5](C[5,5]C[5,5,6,6]O[5]H)(C[5,6]C[5,3x6]C[6])(CCC)	C[5,6](C[5,3x6]C[5,5,6,6]C[4x6]H)(C[5]C[5,5]C)(C[6]C[6]C){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(H){1|O<1>,2|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,5,6,6]O[5]H)(C[5,6]C[5,3x6]C[6])(CCC){2|C<3>,2|H<1>,3|C<4>}	111.6515	0.411	2	111.6515	0.169	2	111.6515	0.169	2	111.6515	0.169	2	111.6514	0.298	14	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,3x6]	C[5]	4:3:3:	4:4:3:2:	3:3:3:	C[5,3x6]-4:C[5]-3:C[6]-3:	C[5,6,6]-4:C[4x6]-4:C[5,6]-3:O-2:	C[5,6]-3:C[5]-3:C-3:	C[5,6](C[5,3x6]C[5,6,6]C[4x6]O)(C[5]C[5]C)(C[6]C[6]C)	C[5,3x6](C[5,6,6]C[3x6]C[5]O)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH)	C[5](C[5,6]C[5,3x6]C[6])(C[5]C[5,6,6]H)(CCC)	C[5,6](C[5,3x6]C[5,6,6]C[4x6]O)(C[5]C[5]C)(C[6]C[6]C){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,3x6](C[5,6,6]C[3x6]C[5]O)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH){1|O<1>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,3x6]C[6])(C[5]C[5,6,6]H)(CCC){1|C<3>,2|O<2>,3|C<4>}	110.5360	0.000	1	110.5360	0.000	1	110.5360	0.000	1	110.5360	0.000	1	111.6514	0.298	14	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,3x6]	C[5]	4:3:3:	4:4:3:2:	3:4:3:	C[5,3x6]-4:C[5]-3:C[6]-3:	C[5,6,6]-4:C[4x6]-4:C[5,6]-3:O-2:	C[5,6]-3:C[5]-4:C-3:	C[5,6](C[5,3x6]C[5,6,6]C[4x6]O)(C[5]C[5]C)(C[6]C[6]C)	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH)	C[5](C[5,6]C[5,3x6]C[6])(C[5]C[5,6,6]HH)(CCC)	C[5,6](C[5,3x6]C[5,6,6]C[4x6]O)(C[5]C[5]C)(C[6]C[6]C){1|C<3>,3|C<4>,5|H<1>}	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,3x6]C[6])(C[5]C[5,6,6]HH)(CCC){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	111.0455	0.080	2	111.2563	0.137	3	111.2563	0.137	3	111.2563	0.137	3	111.6514	0.298	14	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,3x6]	C[5]	4:3:3:	4:4:3:2:	3:4:3:	C[5,3x6]-4:C[5]-3:C[6]-3:	C[5,6,6]-4:C[4x6]-4:C[5,6]-3:O-2:	C[5,6]-3:C[5]-4:C-3:	C[5,6](C[5,3x6]C[5,6,6]C[4x6]O)(C[5]C[5]C)(C[6]C[6]C)	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH)	C[5](C[5,6]C[5,3x6]C[6])(C[5]C[5,6,6]HH)(CCC)	C[5,6](C[5,3x6]C[5,6,6]C[4x6]O)(C[5]C[5]C)(C[6]C[6]C){2|C<3>,2|C<4>,4|H<1>}	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH){1|O<1>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[5](C[5,6]C[5,3x6]C[6])(C[5]C[5,6,6]HH)(CCC){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	111.6780	0.000	1	111.2563	0.137	3	111.2563	0.137	3	111.2563	0.137	3	111.6514	0.298	14	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,3x6]	C[5]	4:3:3:	4:4:3:2:	4:3:3:	C[5,3x6]-4:C[5]-3:C[6]-3:	C[5,5,6,6]-4:C[4x6]-4:C[5,6]-3:O-2:	C[5,5]-4:C[5,6]-3:C-3:	C[5,6](C[5,3x6]C[5,5,6,6]C[4x6]O)(C[5]C[5,5]C)(C[6]C[6]C)	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH)	C[5](C[5,5]C[5,5,6,6]O[5]H)(C[5,6]C[5,3x6]C[6])(CCC)	C[5,6](C[5,3x6]C[5,5,6,6]C[4x6]O)(C[5]C[5,5]C)(C[6]C[6]C){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH){1|O<1>,2|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[5](C[5,5]C[5,5,6,6]O[5]H)(C[5,6]C[5,3x6]C[6])(CCC){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	111.4010	0.000	1	111.4010	0.000	1	111.4010	0.000	1	111.4010	0.000	1	111.6514	0.298	14	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,3x6]	C[5]	4:4:3:	4:4:3:1:	3:3:4:	C[5,3x6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[4x6]-4:C[5,6]-3:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[6]C[6]CH)(C[5]C[5]C)	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(H)	C[5](C[5,6]C[5,3x6]C[6])(C[5]C[5,6,6]O)(CCCH)	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[6]C[6]CH)(C[5]C[5]C){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(H){1|O<2>,2|O<1>,5|C<4>,5|H<1>}	C[5](C[5,6]C[5,3x6]C[6])(C[5]C[5,6,6]O)(CCCH){3|H<1>,4|C<4>}	111.9013	0.071	4	111.9013	0.005	4	111.9013	0.005	4	111.9013	0.005	4	111.6514	0.298	14	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,3x6]	C[5]	4:4:3:	4:4:3:1:	3:4:4:	C[5,3x6]-4:C[5,6]-4:C[5]-3:	C[5,6,6]-4:C[4x6]-4:C[5,6]-3:H-1:	C[5,6]-3:C[5]-4:C-4:	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[5,6]C[5]2C[6])(C[5]C[5]C)	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5,6]C[5])(H)	C[5](C[5,6]C[5,3x6]C[5,6])(C[5]C[5,6,6]HH)(CCCO)	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[5,6]C[5]2C[6])(C[5]C[5]C){1|C<3>,1|O<1>,1|O<2>,4|C<4>,7|H<1>}	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5,6]C[5])(H){1|C<3>,1|O<1>,1|O<2>,5|C<4>,6|H<1>}	C[5](C[5,6]C[5,3x6]C[5,6])(C[5]C[5,6,6]HH)(CCCO){1|C<3>,2|H<1>,4|C<4>}	112.4095	0.486	2	112.4095	0.236	2	112.4095	0.236	2	112.4095	0.236	2	111.6514	0.298	14	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,3x6]	C[5,6]	4:3:4:	4:4:3:4:	4:3:4:	C[5,5,3x6]-4:C[5,6]-3:C-4:	P[4,5,3x6]-4:C[3x5,6,6]-4:C[5,6]-3:C-4:	C[3x5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,3x6]C[3x5,6,6]P[4,5,3x6]C)(C[5,6]C[3x5,6]C)(CH3)	C[5,5,3x6](P[4,5,3x6]P[4,5,5,6,6]C[4,5,6]Cl)(C[3x5,6,6]C[5,5,6,6]C[3x5,6]C)(C[5,6]C[5,6]C)(CH3)	C[5,6](C[3x5,6]P[4,5,5,6,6]C[3x5,6,6]C)(C[5,6]C[5,5,3x6]C)(CH3)	C[5,6](C[5,5,3x6]C[3x5,6,6]P[4,5,3x6]C)(C[5,6]C[3x5,6]C)(CH3){1|Cl<1>,1|P<3>,4|C<4>}	C[5,5,3x6](P[4,5,3x6]P[4,5,5,6,6]C[4,5,6]Cl)(C[3x5,6,6]C[5,5,6,6]C[3x5,6]C)(C[5,6]C[5,6]C)(CH3){2|C<3>,5|C<4>}	C[5,6](C[3x5,6]P[4,5,5,6,6]C[3x5,6,6]C)(C[5,6]C[5,5,3x6]C)(CH3){1|P<4>,4|C<4>}	110.2410	0.000	1	110.2410	0.000	1	109.8347	0.142	3	109.8347	0.142	3	109.8347	0.142	3	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,3x6]	C[5,6]	4:3:4:	4:4:3:4:	4:3:4:	C[5,5,3x6]-4:C[5,6]-3:C-4:	P[4,5,3x6]-4:C[3x5,6,6]-4:C[5,6]-3:C-4:	C[3x5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,3x6]C[3x5,6,6]P[4,5,3x6]C)(C[5,6]C[3x5,6]C)(CH3)	C[5,5,3x6](P[4,5,3x6]P[4,5,5,6,6]C[4,5,6]Ga)(C[3x5,6,6]C[5,5,6,6]C[3x5,6]C)(C[5,6]C[5,6]C)(CH3)	C[5,6](C[3x5,6]P[4,5,5,6,6]C[3x5,6,6]C)(C[5,6]C[5,5,3x6]C)(CH3)	C[5,6](C[5,5,3x6]C[3x5,6,6]P[4,5,3x6]C)(C[5,6]C[3x5,6]C)(CH3){1|Ga<4>,1|P<3>,4|C<4>}	C[5,5,3x6](P[4,5,3x6]P[4,5,5,6,6]C[4,5,6]Ga)(C[3x5,6,6]C[5,5,6,6]C[3x5,6]C)(C[5,6]C[5,6]C)(CH3){2|C<3>,5|C<4>}	C[5,6](C[3x5,6]P[4,5,5,6,6]C[3x5,6,6]C)(C[5,6]C[5,5,3x6]C)(CH3){1|P<4>,4|C<4>}	109.7670	0.000	1	109.7670	0.000	1	109.8347	0.142	3	109.8347	0.142	3	109.8347	0.142	3	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,3x6]	C[5,6]	4:3:4:	4:4:3:4:	4:3:4:	C[5,5,3x6]-4:C[5,6]-3:C-4:	P[4,5,3x6]-4:C[3x5,6,6]-4:C[5,6]-3:C-4:	C[3x5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,3x6]C[3x5,6,6]P[4,5,3x6]C)(C[5,6]C[3x5,6]C)(CH3)	C[5,5,3x6](P[4,5,3x6]P[4,5,5,6,6]C[4,5,6]I)(C[3x5,6,6]C[5,5,6,6]C[3x5,6]C)(C[5,6]C[5,6]C)(CH3)	C[5,6](C[3x5,6]P[4,5,5,6,6]C[3x5,6,6]C)(C[5,6]C[5,5,3x6]C)(CH3)	C[5,6](C[5,5,3x6]C[3x5,6,6]P[4,5,3x6]C)(C[5,6]C[3x5,6]C)(CH3){1|I<1>,1|P<3>,4|C<4>}	C[5,5,3x6](P[4,5,3x6]P[4,5,5,6,6]C[4,5,6]I)(C[3x5,6,6]C[5,5,6,6]C[3x5,6]C)(C[5,6]C[5,6]C)(CH3){2|C<3>,5|C<4>}	C[5,6](C[3x5,6]P[4,5,5,6,6]C[3x5,6,6]C)(C[5,6]C[5,5,3x6]C)(CH3){1|P<4>,4|C<4>}	109.4960	0.000	1	109.4960	0.000	1	109.8347	0.142	3	109.8347	0.142	3	109.8347	0.142	3	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6,6]	C[5,6]	4:3:1:	4:4:3:2:	4:3:1:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[6,6]-4:C[5,6]-3:O[5,6]-2:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6,6]C[5,5,6]C[6,6]O[5,6])(C[5,6]C[5,5,6]H)(H)	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]H)(O[5,6]O[5,6])	C[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6]C[5,5,6,6]H)(H)	C[5,6](C[5,5,6,6]C[5,5,6]C[6,6]O[5,6])(C[5,6]C[5,5,6]H)(H){1|H<1>,1|O<2>,5|C<4>}	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]H)(O[5,6]O[5,6]){1|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6]C[5,5,6,6]H)(H){1|O<2>,3|C<4>}	106.5910	0.000	1	106.5910	0.000	1	106.5910	0.000	1	106.5910	0.000	1	108.0248	4.347	5	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6,6]	C[5,6]	4:3:1:	4:4:3:4:	4:3:1:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,6,6]-4:C[5,6]-3:C-4:	C[4x5,6,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]C)(C[5,6]C[4x5,6,6]H)(H)	C[5,5,6,6](C[3x5,6]C[4x5,6,6]C[5,6]H)(C[5,6,6]C[3x5,3x6]HH)(C[5,6]C[5,6]H)(CH3)	C[5,6](C[4x5,6,6]C[3x5,3x6]C[3x5,6]C[5,6])(C[5,6]C[5,5,6,6]H)(H)	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]C)(C[5,6]C[4x5,6,6]H)(H){3|C<4>,3|H<1>}	C[5,5,6,6](C[3x5,6]C[4x5,6,6]C[5,6]H)(C[5,6,6]C[3x5,3x6]HH)(C[5,6]C[5,6]H)(CH3){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[4x5,6,6]C[3x5,3x6]C[3x5,6]C[5,6])(C[5,6]C[5,5,6,6]H)(H){1|C<3>,1|H<1>,1|O<2>,6|C<4>}	107.8760	0.000	1	107.8760	0.000	1	107.8760	0.000	1	107.8760	0.000	1	108.0248	4.347	5	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6,6]	C[5,6]	4:3:3:	4:4:3:4:	4:3:4:	C[5,5,6,6]-4:C[5,6]-3:C[6a]-3:	C[3,5,6,6]-4:C[5,5,6,6]-4:C[5,6]-3:Si-4:	C[5,5,6,6]-4:C[5,6]-3:Si-4:	C[5,6](C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]Si)(C[5,6]C[5,5,6,6]Si)(C[6a]C[6a]2)	C[5,5,6,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]Si)(C[5,5,6,6]C[5,5,6,6]C[6,6]H)(C[5,6]C[5,6]C[6a])(SiC3)	C[5,6](C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]H)(C[5,6]C[5,5,6,6]C[6a])(SiC3)	C[5,6](C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]Si)(C[5,6]C[5,5,6,6]Si)(C[6a]C[6a]2){1|Si<4>,2|C<4>,2|F<1>,2|H<1>,3|C<3>}	C[5,5,6,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]Si)(C[5,5,6,6]C[5,5,6,6]C[6,6]H)(C[5,6]C[5,6]C[6a])(SiC3){1|Si<4>,3|C<3>,4|H<1>}	C[5,6](C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]H)(C[5,6]C[5,5,6,6]C[6a])(SiC3){1|Si<4>,2|C<4>,2|H<1>,3|C<3>}	110.1190	0.000	1	110.1190	0.000	1	110.1190	0.000	1	110.1190	0.000	1	108.0248	4.347	5	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6,6]	C[5,6]	4:3:4:	4:4:3:1:	4:3:3:	C[5,5,6,6]-4:C[5,6]-3:Si-4:	C[3,5,6,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]H)(C[5,6]C[5,5,6,6]C[6a])(SiC3)	C[5,5,6,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[6,6]H)(C[5,6]C[5,6]Si)(H)	C[5,6](C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]Si)(C[5,6]C[5,5,6,6]Si)(C[6a]C[6a]2)	C[5,6](C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]H)(C[5,6]C[5,5,6,6]C[6a])(SiC3){1|Si<4>,2|C<4>,2|H<1>,3|C<3>}	C[5,5,6,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[6,6]H)(C[5,6]C[5,6]Si)(H){2|Si<4>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]Si)(C[5,6]C[5,5,6,6]Si)(C[6a]C[6a]2){1|Si<4>,2|C<4>,2|F<1>,2|H<1>,3|C<3>}	105.4460	0.000	1	105.4460	0.000	1	105.4460	0.000	1	105.4460	0.000	1	108.0248	4.347	5	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6,6]	C[5,6]	4:4:3:	3:4:3:3:	3:4:3:	C[5,5,6,6]-4:C[6,6]-4:C[5,6]-3:	C[5,6,6a]-3:C[5,5,6,6]-4:C[5,6a]-3:C[5,6]-3:	C[5,6,6a]-3:C[6,6]-4:C[5,6]-3:	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6a])(C[6,6]C[6,6,6a]C[6,6]H)(C[5,6]C[5,6,6a]C[6,6])	C[5,5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5,6a])(C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6]C[6,6])	C[5,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[6,6]C[6,6,6a]C[6,6]H)(C[5,6]C[5,5,6,6]C[6,6])	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6a])(C[6,6]C[6,6,6a]C[6,6]H)(C[5,6]C[5,6,6a]C[6,6]){12|C<3>,1|C<4>,1|H<1>}	C[5,5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5,6a])(C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6]C[6,6]){2|C<4>,2|H<1>,9|C<3>}	C[5,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[6,6]C[6,6,6a]C[6,6]H)(C[5,6]C[5,5,6,6]C[6,6]){1|H<1>,2|C<4>,9|C<3>}	110.0920	0.000	1	110.0920	0.000	1	110.0920	0.000	1	110.0920	0.000	1	108.0248	4.347	5	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6,6]	C[5]	4:3:2:	4:4:3:4:	4:3:3:	C[5,5,6,6]-4:C[5]-3:O[6]-2:	C[3x5,6]-4:C[5,6]-4:C[5,6]-3:C[6]-4:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6]C[6])(C[5]C[5,5,6]C)(O[6]C[6])	C[5,5,6,6](C[3x5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(C[5,6]C[5]O[6])(C[6]C[6]HH)	C[5](C[5,5,6]C[3x5,6]C[5,6]O)(C[5,6]C[5,5,6,6]O[6])(CCO)	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6]C[6])(C[5]C[5,5,6]C)(O[6]C[6]){1|C<3>,2|O<2>,4|H<1>,5|C<4>}	C[5,5,6,6](C[3x5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(C[5,6]C[5]O[6])(C[6]C[6]HH){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,5,6]C[3x5,6]C[5,6]O)(C[5,6]C[5,5,6,6]O[6])(CCO){1|C<3>,1|O<2>,6|C<4>}	112.4650	0.000	1	112.4650	0.000	1	112.4650	0.000	1	112.4650	0.000	1	111.3105	2.666	2	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6,6]	C[5]	4:3:3:	4:4:3:2:	3:2:1:	C[5,5,6,6]-4:C[6]-3:C[5]-3:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-3:O[6]-2:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,5,6,6]C[5,5,6]2O[6])(C[6]C[6,6a]H)(C[5]O[5]O)	C[5,5,6,6](C[5,5,6]C[5,5,6,6]O[5]H)(C[5,5,6]C[5,5,6]C[5,6]O)(C[5,6]C[5]C[6])(O[6]C[6,6a])	C[5](C[5,6]C[5,5,6,6]C[6])(O[5]C[5,5,6])(O)	C[5,6](C[5,5,6,6]C[5,5,6]2O[6])(C[6]C[6,6a]H)(C[5]O[5]O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,5,6,6](C[5,5,6]C[5,5,6,6]O[5]H)(C[5,5,6]C[5,5,6]C[5,6]O)(C[5,6]C[5]C[6])(O[6]C[6,6a]){1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[5](C[5,6]C[5,5,6,6]C[6])(O[5]C[5,5,6])(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	110.1560	0.000	1	110.1560	0.000	1	110.1560	0.000	1	110.1560	0.000	1	111.3105	2.666	2	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,5,6]	4:3:1:	4:4:3:2:	4:4:3:	C[5,5,6]-4:C[5,5,6]-3:H-1:	C[3,5,6]-4:C[5,5]-4:C[5,6]-3:O-2:	C[3x5,6]-4:C[5,6]-4:C[5,6]-3:	C[5,6](C[5,5,6]C[3,5,6]C[5,5]O)(C[5,5,6]C[3x5,6]C[5,6])(H)	C[5,5,6](C[3,5,6]C[5,6]C[3]2)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]H)(OC)	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,6]C[6]C)(C[5,6]C[5,5,6]H)	C[5,6](C[5,5,6]C[3,5,6]C[5,5]O)(C[5,5,6]C[3x5,6]C[5,6])(H){2|H<1>,7|C<4>}	C[5,5,6](C[3,5,6]C[5,6]C[3]2)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]H)(OC){3|Cl<1>,2|C<4>,3|H<1>}	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,6]C[6]C)(C[5,6]C[5,5,6]H){1|O<2>,3|C<4>,9|H<1>}	105.8800	0.000	1	105.8800	0.000	1	105.8800	0.000	1	105.8800	0.000	1	105.8800	0.000	1	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6,6]	4:3:3:	3:3:4:1:	4:3:3:	C[5,5,6]-4:C[5,6,6]-3:C[6a]-3:	C[5,6,6a]-3:C[5,6]-3:C[5,5]-4:H-1:	C[5,5,6,6]-4:C[5,6]-3:C[6]-3:	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6]C[5,5,6,6]C[6])(C[6a]C[6a,6a]2)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6a])(C[5,5]C[5,5,6,6]HH)(H)	C[5,6,6](C[5,5,6,6]C[5,6,6a]C[5,5]C[6])(C[5,6]C[5,5,6]C[6a])(C[6]C[6]H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6]C[5,5,6,6]C[6])(C[6a]C[6a,6a]2){3|H<1>,8|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6a])(C[5,5]C[5,5,6,6]HH)(H){1|H<1>,6|C<3>}	C[5,6,6](C[5,5,6,6]C[5,6,6a]C[5,5]C[6])(C[5,6]C[5,5,6]C[6a])(C[6]C[6]H){5|C<3>,5|H<1>}	106.2110	0.000	1	106.2110	0.000	1	106.2110	0.000	1	106.2110	0.000	1	107.1115	1.622	2	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6,6]	4:3:3:	3:3:4:3:	4:3:4:	C[5,5,6]-4:C[5,6,6]-3:C[6a]-3:	C[5,6]-3:C[5,5]-3:C[5,6]-4:C[6a]-3:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6,6]C[5,5,6,6]C[6])(C[6a]C[6a]2)	C[5,5,6](C[5,6]C[5,6,6]C[6a])(C[5,5]C[5,5,6,6]O)(C[5,6]C[5,6]HH)(C[6a]C[6a]2)	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]C[6a])(C[6]C[6]HH)	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6,6]C[5,5,6,6]C[6])(C[6a]C[6a]2){1|O<1>,3|C<4>,4|C<3>,6|H<1>}	C[5,5,6](C[5,6]C[5,6,6]C[6a])(C[5,5]C[5,5,6,6]O)(C[5,6]C[5,6]HH)(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]C[6a])(C[6]C[6]HH){1|O<1>,2|C<4>,3|C<3>,6|H<1>}	108.0120	0.000	1	108.0120	0.000	1	108.0120	0.000	1	108.0120	0.000	1	107.1115	1.622	2	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	3:3:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6]-3:C[5,5]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]C)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|H<1>,3|C<3>}	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]C)(C[5,6]C[5,6]H)(H){2|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|H<1>,3|C<3>}	107.1675	0.272	2	107.1675	0.074	2	107.1675	0.074	2	107.1675	0.074	2	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	3:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,5,6]-4:C[5,6]-3:Cl-1:	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)	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[5,6](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>}	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>}	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>}	107.7030	0.432	4	107.7030	0.186	4	107.7030	0.186	4	108.7192	2.605	6	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	3:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	Ga[5,6]-3:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]Ga[5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](Ga[5,6]Ga[5,6]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]Ga[5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]Ga[5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|Ga<3>,1|C<3>,3|H<1>}	C[5,5,6](Ga[5,6]Ga[5,6]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){2|H<1>,3|C<3>}	C[5,6](C[5,5,6]Ga[5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|Ga<3>,1|C<3>,3|H<1>}	110.7515	0.276	2	110.7515	0.076	2	110.7515	0.076	2	108.7192	2.605	6	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	3:4:3:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-3:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(H)	C[5,5,6](C[5,5]C[5,5,6]O)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]H)(CCHH)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,5,6](C[5,5]C[5,5,6]O)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){1|Si<4>,1|H<1>,2|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]H)(CCHH){1|Si<4>,1|C<4>,1|O<1>,2|H<1>}	109.2210	0.000	1	109.2210	0.000	1	109.2210	0.000	1	109.2210	0.000	1	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:3:2:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-3:O[5,6]-2:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(O[5,6]N[5,6])(H)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[5,6]C[5,5,6]H)(H){1|N<3>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(O[5,6]N[5,6])(H){1|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|O<2>,3|H<1>}	106.5500	0.000	1	106.5500	0.000	1	106.5500	0.000	1	106.5500	0.000	1	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:3:2:4:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:O[5,6]-2:C-4:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6]C[5,5,6,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]C)(C[5,6]C[5,6]H)(O[5,6]O[5,6])(CCCH)	C[5,6](C[5,5,6,6]C[5,5,6]C[6,6]O[5,6])(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6]C[5,5,6,6]H)(H){1|O<2>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]C)(C[5,6]C[5,6]H)(O[5,6]O[5,6])(CCCH){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6,6]C[5,5,6]C[6,6]O[5,6])(C[5,6]C[5,5,6]H)(H){1|H<1>,1|O<2>,5|C<4>}	107.1670	0.000	1	107.1670	0.000	1	107.1670	0.000	1	107.1670	0.000	1	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:3:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5]C[5,5,6]C[6a]H)(C[5,6]C[5,6]H)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){2|C<3>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]C[6a]H)(C[5,6]C[5,6]H)2(H){2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){2|C<3>,3|H<1>}	107.8775	0.470	4	107.8775	0.221	4	107.8775	0.221	4	107.5200	0.484	6	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:3:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-3:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(N[5,6]C[5,6]O)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,1|O<2>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(N[5,6]C[5,6]O)(H){1|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|N<3>,4|H<1>}	107.1400	0.000	1	107.1400	0.000	1	106.8050	0.224	2	107.5200	0.484	6	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:3:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-3:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(N[5,6]O[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|O<2>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(N[5,6]O[5,6]C)(H){2|H<1>}	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[5,6]C[5,5,6]H)(H){1|N<3>,3|H<1>}	106.4700	0.000	1	106.4700	0.000	1	106.8050	0.224	2	107.5200	0.484	6	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:3:3:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C[6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6])(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C[6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(C[6]C[6]2H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6])(H){1|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C[6])(C[5,6]C[5,6]H)(H){3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(C[6]C[6]2H){1|C<4>,2|C<3>,8|H<1>}	107.2900	0.000	1	107.2900	0.000	1	107.2900	0.000	1	107.2900	0.000	1	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	3:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-3:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6]C[5,6]C[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]C[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	121.3570	0.000	1	121.3570	0.000	1	121.3570	0.000	1	121.3570	0.000	1	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[3x5]-4:C[5,6]-4:C[5,6]-3:Cl-1:	C[5,5,6]-4:C[5,6]-3:Cl-1:	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)	C[5,6](C[5,5,6]C[3x5]C[5,6]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	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>}	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>}	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>}	107.6605	0.467	2	107.6605	0.218	2	107.6605	0.218	2	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,5,6]-4:C[5,6]-3:Cl-1:	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)	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[5,6](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>}	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>}	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>}	107.6827	0.152	4	107.6827	0.023	4	107.7979	0.258	8	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,5,6]-4:C[5,6]-3:Cl-1:	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)	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[5,6](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>}	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>}	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>}	107.9130	0.737	4	107.9130	0.543	4	107.7979	0.258	8	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:Cl-1:	C[5,5,6]-4:C[5,6]-3:Cl-1:	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)	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	C[5,6](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>}	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>}	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>}	107.6388	0.324	10	107.6388	0.105	10	107.5321	0.165	16	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:Cl-1:	C[5,5,6]-4:C[5,6]-3:Cl-1:	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)	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	C[5,6](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>}	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>}	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>}	106.9150	0.218	2	106.9150	0.047	2	107.5321	0.165	16	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:Cl-1:	C[5,5,6]-4:C[5,6]-3:Cl-1:	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)	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	C[5,6](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>}	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>}	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>}	107.5740	0.450	4	107.5740	0.202	4	107.5321	0.165	16	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,5,6]-4:C[5,6]-3:Cl-1:	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)	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[5,6](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>}	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>}	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>}	107.6950	0.000	1	107.6950	0.000	1	107.1505	0.593	2	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,5,6]-4:C[5,6]-3:Cl-1:	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)	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[5,6](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>}	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>}	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>}	106.6060	0.000	1	106.6060	0.000	1	107.1505	0.593	2	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[3,5,5]-4:C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[3,5,5]C[5,5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[3,5,5]C[5,5,6]C[3]2)(C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[3,5,5]C[5,5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[3,5,5]C[5,5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[3,5,5]C[5,5,6]C[3]2)(C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,8|H<1>}	C[5,6](C[5,5,6]C[3,5,5]C[5,5,6]H)(C[5,6]C[5,5,6]H)(H){2|H<1>,4|C<4>}	107.5960	0.000	1	107.5960	0.000	1	107.5960	0.000	1	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[3,5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[3,5,5]C[5,5,6]C[3]2)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,5,6](C[3,5,5]C[5,5,6]C[3]2)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]H)(H){1|C<3>,7|H<1>}	C[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,2|H<1>,3|C<4>}	107.8780	0.313	2	107.8780	0.098	2	107.6753	0.127	4	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[3,5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[3,5,5]C[5,5,6]C[3]2)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[3,5,5]C[5,5,6]C[3]2)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,6|H<1>}	C[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|H<1>,4|C<4>}	107.4725	0.344	2	107.4725	0.119	2	107.6753	0.127	4	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[3x5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	107.6850	0.000	1	107.6465	0.003	2	107.6465	0.003	2	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[3x5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){3|C<4>,3|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,2|O<2>,6|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,1|O<2>,4|H<1>}	107.6080	0.000	1	107.6465	0.003	2	107.6465	0.003	2	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[3x5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[3x5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	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]H)(H)	C[5,6](C[5,5,6]C[3x5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[3x5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,2|H<1>,2|O<2>}	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]H)(H){3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[3x5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,2|H<1>,2|O<2>}	108.0120	0.333	4	108.0120	0.111	4	108.0120	0.111	4	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[4,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[4,5,6]C[4,5,6]2H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	C[5,5,6](C[4,5,6]C[4,5,6]2H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	107.9110	0.557	2	107.9110	0.310	2	107.9110	0.310	2	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,3x6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,3x6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,3x6]C[5,3x6]C[6]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,3x6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,3x6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,3x6]C[5,3x6]C[6]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,3x6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	107.6785	0.090	2	107.6785	0.008	2	107.6785	0.008	2	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	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]HO)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|O<2>,2|C<4>,3|H<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]HO)(C[5,6]C[5,6]H)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|O<2>,2|C<4>,3|H<1>}	107.9610	0.034	2	108.0438	0.010	4	108.0438	0.010	4	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	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]HO)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|O<2>,2|C<4>,3|H<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]HO)(C[5,6]C[5,6]H)(H){3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|O<2>,2|C<4>,3|H<1>}	108.1265	0.022	2	108.0438	0.010	4	108.0438	0.010	4	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[3,5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[3,5,5]C[5,5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[3,5,5]C[5,5,6]C[3]2)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[3,5,5]C[5,5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[3,5,5]C[5,5,6]H)(C[5,6]C[5,5,6]H)(H){2|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[3,5,5]C[5,5,6]C[3]2)(C[5,6]C[5,6]H)(H){2|C<3>,2|C<4>,7|H<1>}	C[5,6](C[5,5,6]C[3,5,5]C[5,5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,2|H<1>,3|C<4>}	108.4630	0.000	1	108.4630	0.000	1	108.4630	0.000	1	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[3x5]-4:C[5,6]-3:Br-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[3x5]Br)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[3x5]C[5,5,6]O[5]2)(C[5,6]C[5,6]H)(Br)	C[5,6](C[5,5,6]C[5,5,6]C[3x5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[3x5]Br)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[3x5]C[5,5,6]O[5]2)(C[5,6]C[5,6]H)(Br){2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[3x5]H)(C[5,6]C[5,5,6]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,2|O<2>}	107.5810	0.000	1	107.5275	0.006	2	107.5275	0.006	2	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[3x5]-4:C[5,6]-3:Br-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[3x5]Br)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[3x5]C[5,5,6]O[5]2)(C[5,6]C[5,6]H)(Br)	C[5,6](C[5,5,6]C[5,5,6]C[3x5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[3x5]Br)(C[5,6]C[5,5,6]H)(H){2|C<4>,2|H<1>,2|O<2>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[3x5]C[5,5,6]O[5]2)(C[5,6]C[5,6]H)(Br){1|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[3x5]H)(C[5,6]C[5,5,6]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,2|O<2>}	107.4740	0.000	1	107.5275	0.006	2	107.5275	0.006	2	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[3x5]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[3x5]H)(C[5,6]C[3x5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[3x5]C[3x5,6]N[5,5a]H)(C[5,6]C[5,6]H)(H)	C[5,6](C[3x5,6]C[5,5,6]C[3x5]C[5])(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[3x5]H)(C[5,6]C[3x5,6]H)(H){1|N<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[3x5]C[3x5,6]N[5,5a]H)(C[5,6]C[5,6]H)(H){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	C[5,6](C[3x5,6]C[5,5,6]C[3x5]C[5])(C[5,6]C[5,5,6]H)(H){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	109.4610	0.000	1	109.4610	0.000	1	109.4610	0.000	1	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[3x5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[3x5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[3x5]C[5,5,6]C[5]2)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[3x5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[3x5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[3x5]C[5,5,6]C[5]2)(C[5,6]C[5,6]H)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[3x5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,2|H<1>,3|C<4>}	107.7070	0.478	2	107.7070	0.228	2	108.1268	0.373	4	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[3x5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[3x5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[3x5]C[5,5,6]O[5]2)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[3x5]Br)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[3x5]H)(C[5,6]C[5,5,6]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[3x5]C[5,5,6]O[5]2)(C[5,6]C[5,6]H)(H){1|Br<1>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[3x5]Br)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	108.2410	0.000	1	108.5465	0.187	2	108.1268	0.373	4	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[3x5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[3x5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[3x5]C[5,5,6]O[5]2)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[3x5]Br)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[3x5]H)(C[5,6]C[5,5,6]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[3x5]C[5,5,6]O[5]2)(C[5,6]C[5,6]H)(H){1|Br<1>,1|O<1>,2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[3x5]Br)(C[5,6]C[5,5,6]H)(H){2|C<4>,2|H<1>,2|O<2>}	108.8520	0.000	1	108.5465	0.187	2	108.1268	0.373	4	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[3,5,6]C[5,5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[3,5,6]C[5,5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	107.5140	0.000	1	107.5140	0.000	1	107.7649	0.095	71	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	107.7550	0.000	1	107.7550	0.000	1	107.7649	0.095	71	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,1|O<2>,4|H<1>}	C[5,5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|N<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){3|C<4>,3|H<1>}	107.7290	0.000	1	107.7290	0.000	1	107.7649	0.095	71	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]2H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]2H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	107.8030	0.000	1	107.7610	0.112	3	107.7649	0.095	71	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]2H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]2H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	107.7400	0.471	2	107.7610	0.112	3	107.7649	0.095	71	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	107.7310	0.000	1	107.7310	0.000	1	107.7649	0.095	71	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	107.6663	0.351	3	107.6663	0.123	3	107.7649	0.095	71	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	107.9520	0.369	2	107.7689	0.100	60	107.7649	0.095	71	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	107.7668	0.301	48	107.7689	0.100	60	107.7649	0.095	71	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	107.5450	0.000	1	107.7689	0.100	60	107.7649	0.095	71	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	107.4660	0.000	1	107.7689	0.100	60	107.7649	0.095	71	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	107.8015	0.438	2	107.7689	0.100	60	107.7649	0.095	71	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	107.7090	0.000	1	107.7689	0.100	60	107.7649	0.095	71	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,2|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	108.2840	0.000	1	107.7689	0.100	60	107.7649	0.095	71	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	107.1950	0.000	1	107.7689	0.100	60	107.7649	0.095	71	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	108.4390	0.000	1	107.7689	0.100	60	107.7649	0.095	71	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	107.5210	0.000	1	107.7689	0.100	60	107.7649	0.095	71	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){2|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	107.6620	0.000	1	107.7689	0.100	60	107.7649	0.095	71	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,3|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,5|H<1>}	108.1650	0.000	1	108.1650	0.000	1	107.7649	0.095	71	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5]C[5,5,6]CO)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|O<2>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CO)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|O<2>,2|C<4>,3|H<1>}	107.5250	0.000	1	107.5250	0.000	1	107.7452	0.405	35	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5]C[5,5,6]CO)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CO)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|O<2>,2|H<1>,3|C<4>}	107.9100	0.000	1	107.9100	0.000	1	107.7452	0.405	35	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	107.4730	0.000	1	107.4730	0.000	1	107.7452	0.405	35	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6,6]CH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6,6]CH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	107.9780	0.000	1	107.9780	0.000	1	107.7452	0.405	35	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]H)(H){1|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	107.7766	0.433	5	107.7766	0.187	5	107.7452	0.405	35	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	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]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<2>,1|C<4>,4|H<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]H)(H){1|C<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<2>,1|C<4>,4|H<1>}	107.7112	0.294	4	107.6177	0.252	14	107.7452	0.405	35	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	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]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<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]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	107.5800	0.557	8	107.6177	0.252	14	107.7452	0.405	35	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	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]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<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]H)(H){1|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	107.5815	0.894	2	107.6177	0.252	14	107.7452	0.405	35	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CN)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CN)(C[5,6]C[5,6]H)(H){1|S<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,1|S<2>,4|H<1>}	107.3090	0.000	1	107.5480	0.114	2	107.7452	0.405	35	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CN)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CN)(C[5,6]C[5,6]H)(H){4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,5|H<1>}	107.7870	0.000	1	107.5480	0.114	2	107.7452	0.405	35	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]ClH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|Cl<1>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]ClH)(C[5,6]C[5,6]H)(H){1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,1|N<3>,4|H<1>}	107.3150	0.000	1	107.3150	0.000	1	107.7452	0.405	35	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	107.2090	0.000	1	108.9230	5.876	2	107.7452	0.405	35	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	110.6370	0.000	1	108.9230	5.876	2	107.7452	0.405	35	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HN)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,1|N<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HN)(C[5,6]C[5,6]H)(H){1|Cl<1>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|Cl<1>,1|C<4>,4|H<1>}	107.6760	0.000	1	107.6760	0.000	1	107.7452	0.405	35	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HS)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,1|S<2>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HS)(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	107.7660	0.000	1	107.8546	0.030	5	107.7452	0.405	35	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HS)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,1|S<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HS)(C[5,6]C[5,6]H)(H){1|S<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,1|S<4>,4|H<1>}	107.8768	0.190	4	107.8546	0.030	5	107.7452	0.405	35	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]CH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|N<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]CH)(C[5,6]C[5,6]H)(H){1|O<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,1|O<2>,3|H<1>}	107.4600	0.000	1	107.4600	0.000	1	107.7452	0.405	35	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]2H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]2H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	107.5600	0.000	1	107.5600	0.000	1	107.6346	0.164	22	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[3,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[3,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	107.8520	0.000	1	107.8520	0.000	1	107.6346	0.164	22	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[5a,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[5a,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	107.3530	0.000	1	107.3530	0.000	1	107.6346	0.164	22	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,1|S<3>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,1|S<3>,3|H<1>}	107.4940	0.000	1	107.4940	0.000	1	107.6346	0.164	22	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	106.9640	0.000	1	107.6985	0.256	13	107.6346	0.164	22	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	107.4050	0.202	4	107.6985	0.256	13	107.6346	0.164	22	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	107.5250	0.292	3	107.6985	0.256	13	107.6346	0.164	22	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	108.1465	0.408	2	107.6985	0.256	13	107.6346	0.164	22	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	108.7590	0.000	1	107.6985	0.256	13	107.6346	0.164	22	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|N<3>,1|O<2>,5|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,1|N<3>,4|H<1>}	107.9350	0.052	2	107.6985	0.256	13	107.6346	0.164	22	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]S)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,1|S<3>,3|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]S)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	107.6260	0.000	1	107.6260	0.000	1	107.6346	0.164	22	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,1|N<3>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	107.5660	0.175	2	107.5660	0.031	2	107.6346	0.164	22	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6]C[5,6]C[6]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,6,6]C[5,6]C[6]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	107.5850	0.000	1	107.4320	0.047	2	107.6346	0.164	22	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6]C[5,6]C[6]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,6,6]C[5,6]C[6]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,3|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	107.2790	0.000	1	107.4320	0.047	2	107.6346	0.164	22	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6]C[5,6,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5,6,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	108.0560	0.000	1	108.0560	0.000	1	107.4580	0.678	5	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6]C[5,6]C[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[5,6]C[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	107.7190	0.349	3	107.7190	0.122	3	107.4580	0.678	5	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,5|H<1>}	106.0770	0.000	1	106.0770	0.000	1	107.4580	0.678	5	107.7375	0.219	188	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]H)(CH3)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(H){2|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]H)(H){2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]H)(CH3){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	108.4770	0.000	1	108.4770	0.000	1	108.4770	0.000	1	108.4770	0.000	1	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:4:	4:3:2:	C[5,5,6]-4:C[5,6]-3:O-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:N-2:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N)(O)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(NN)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N)(O){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3){1|N<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(NN){2|H<1>,4|C<4>}	104.6350	0.000	1	104.6350	0.000	1	104.6350	0.000	1	104.6350	0.000	1	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:2:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:N-2:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:O-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(NN)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N)(O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(NN){2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(H){1|C<4>,1|O<1>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N)(O){3|C<4>,3|H<1>}	105.2040	0.000	1	105.2040	0.000	1	105.2040	0.000	1	105.2040	0.000	1	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:2:	4:4:3:1:	4:3:2:	C[5,5,6]-4:C[5,6]-3:S-2:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:S-2:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]S)(SAu)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]S)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]S)(SAu)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]S)(SAu){2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]S)(H){1|C<4>,1|S<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]S)(SAu){3|C<4>,3|H<1>}	107.5385	0.910	2	107.5385	0.828	2	107.5385	0.828	2	107.5385	0.828	2	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:2:	4:4:3:4:	4:3:2:	C[5,5,6]-4:C[5,6]-3:S-2:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:S-2:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]S)(SAu)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]S)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]S)(SAu)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]S)(SAu){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]S)(CH3){1|S<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]S)(SAu){2|H<1>,4|C<4>}	107.2630	1.889	2	107.2630	3.570	2	107.2630	3.570	2	107.2630	3.570	2	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:2:	4:4:3:4:	4:3:3:	C[5,5,6]-4:C[5,6]-3:O-2:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(OIr)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CC[6a]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(OIr){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3){1|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CC[6a]O){2|H<1>,4|C<4>}	107.8740	0.000	1	107.8740	0.000	1	107.3425	0.565	2	107.3425	0.565	2	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:2:	4:4:3:4:	4:3:3:	C[5,5,6]-4:C[5,6]-3:O-2:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(ORu)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CC[6a]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(ORu){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3){1|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CC[6a]O){2|H<1>,4|C<4>}	106.8110	0.000	1	106.8110	0.000	1	107.3425	0.565	2	107.3425	0.565	2	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	3:3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[5,5]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]C)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]C)(C[5,6]C[5,6]H)(H){2|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	106.7825	0.147	4	106.7825	0.022	4	106.7825	0.022	4	106.7825	0.022	4	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	3:3:3:4:	4:3:3:	C[5,5,6]-4:C[5,6]-3:N-3:	C[5,5]-3:C[5,6]-3:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:N-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N)(NC[6a]Al)	C[5,5,6](C[5,5]C[5,5,6]C)(C[5,6]C[5,6]C)(C[5,6]C[5,6]N)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N)(NC[6a]Al)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N)(NC[6a]Al){1|C<3>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]C)(C[5,6]C[5,6]C)(C[5,6]C[5,6]N)(CH3){1|N<3>,2|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N)(NC[6a]Al){1|C<3>,3|C<4>}	107.6368	0.596	4	107.6368	0.355	4	107.6368	0.355	4	107.6368	0.355	4	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	3:3:4:3:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[5,5]-3:C[5,6]-4:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[5,5,6]C[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](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<1>,4|H<1>,7|C<3>}	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<1>,3|H<1>,8|C<3>}	109.0855	0.018	2	109.0855	0.000	2	109.0855	0.000	2	109.0855	0.000	2	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	3:3:4:4:	3:4:3:	C[5,5,6]-4:C[5,6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:C[5,6]-4:C[5,6]-4:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6]C[5]C[6])(C[6]C[6]O)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)2	C[5,6](C[5,6]C[5,5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]H)	C[5,6](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6]C[5]C[6])(C[6]C[6]O){3|C<3>,3|C<4>,6|H<1>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)2{1|C<4>,1|O<1>,1|O<2>,4|C<3>,8|H<1>}	C[5,6](C[5,6]C[5,5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	111.5370	0.000	1	111.5370	0.000	1	111.5370	0.000	1	111.5370	0.000	1	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	3:3:4:4:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	B[5,5]-3:C[5,6]-3:C[5,6]-4:Si-4:	C[5,5,6]-4:C[5,6]-3:B-3:	C[5,6](C[5,5,6]B[5,5]C[5,6]Si)(C[5,6]C[5,5,6]B)(C[6a]C[6a]2)	C[5,5,6](B[5,5]C[5,5,6]C[6a])(C[5,6]C[5,6]C[6a])(C[5,6]C[5,6]HH)(SiC3)	C[5,6](C[5,5,6]B[5,5]C[5,6]Si)(C[5,6]C[5,5,6]C[6a])(BC[6a]2)	C[5,6](C[5,5,6]B[5,5]C[5,6]Si)(C[5,6]C[5,5,6]B)(C[6a]C[6a]2){1|Si<4>,1|C<4>,2|F<1>,2|H<1>,3|C<3>}	C[5,5,6](B[5,5]C[5,5,6]C[6a])(C[5,6]C[5,6]C[6a])(C[5,6]C[5,6]HH)(SiC3){1|Si<4>,1|B<3>,2|H<1>,4|C<3>}	C[5,6](C[5,5,6]B[5,5]C[5,6]Si)(C[5,6]C[5,5,6]C[6a])(BC[6a]2){1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	112.2080	0.000	1	112.2080	0.000	1	112.2080	0.000	1	112.2080	0.000	1	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	3:4:3:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:N-3:	C[5,5]-3:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(NCS)	C[5,5,6](C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(NCS){1|C<4>,1|O<1>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(H){1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(CH3){1|C<4>,1|O<1>,3|H<1>}	109.3070	0.576	2	109.3070	0.331	2	109.3070	0.331	2	109.3070	0.331	2	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	3:4:3:4:	4:3:3:	C[5,5,6]-4:C[5,6]-3:B-3:	B[5,5]-3:C[5,6]-4:C[5,6]-3:Si-4:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[5,5,6]B[5,5]C[5,6]Si)(C[5,6]C[5,5,6]C[6a])(BC[6a]2)	C[5,5,6](B[5,5]C[5,5,6]C[6a])(C[5,6]C[5,6]HH)(C[5,6]C[5,6]B)(SiC3)	C[5,6](C[5,5,6]B[5,5]C[5,6]Si)(C[5,6]C[5,5,6]B)(C[6a]C[6a]2)	C[5,6](C[5,5,6]B[5,5]C[5,6]Si)(C[5,6]C[5,5,6]C[6a])(BC[6a]2){1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	C[5,5,6](B[5,5]C[5,5,6]C[6a])(C[5,6]C[5,6]HH)(C[5,6]C[5,6]B)(SiC3){1|Si<4>,2|H<1>,3|C<3>}	C[5,6](C[5,5,6]B[5,5]C[5,6]Si)(C[5,6]C[5,5,6]B)(C[6a]C[6a]2){1|Si<4>,1|C<4>,2|F<1>,2|H<1>,3|C<3>}	109.0600	0.000	1	109.0600	0.000	1	109.0600	0.000	1	111.6692	2.926	5	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	3:4:3:4:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[5,5]-4:C[5,6]-3:C-4:	P[5,5,6]-4:C[5,6]-3:C-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C)(C[6a]C[6a]2)	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3)	C[5,6](P[5,5,6]C[5,5]C[5,6]Pd)(C[5,6]C[5,5,6]C[6a])(CCH)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C)(C[6a]C[6a]2){1|Pd<4>,1|C<4>,3|C<3>,4|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3){1|Pd<4>,4|C<3>}	C[5,6](P[5,5,6]C[5,5]C[5,6]Pd)(C[5,6]C[5,5,6]C[6a])(CCH){1|C<4>,2|H<1>,4|C<3>}	111.6575	1.194	2	111.6575	1.426	2	112.3215	1.065	4	111.6692	2.926	5	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	3:4:3:4:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[5,5]-4:C[5,6]-3:C-4:	P[5,5,6]-4:C[5,6]-3:C-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C)(C[6a]C[6a]2)	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3)	C[5,6](P[5,5,6]C[5,5]C[5,6]Rh)(C[5,6]C[5,5,6]C[6a])(CCH)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C)(C[6a]C[6a]2){1|Rh<6>,1|C<4>,3|C<3>,4|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3){1|Rh<6>,4|C<3>}	C[5,6](P[5,5,6]C[5,5]C[5,6]Rh)(C[5,6]C[5,5,6]C[6a])(CCH){1|C<4>,2|H<1>,4|C<3>}	112.9855	0.070	2	112.9855	0.005	2	112.3215	1.065	4	111.6692	2.926	5	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	3:4:4:1:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){1|C<4>,5|C<3>,6|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){1|C<4>,5|C<3>,6|H<1>}	106.9982	0.108	4	106.9982	0.012	4	106.9982	0.012	4	106.9982	0.012	4	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	3:4:4:4:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C[5a]-3:	C[5,6]-3:C[5,5]-4:C[5,6]-4:C-4:	C[5,5,6]-4:C[5,6]-3:P-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]P)(C[5a]C[5a]2)	C[5,5,6](C[5,6]C[5,6]C[5a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[5a])(PC[6a]2Rh)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]P)(C[5a]C[5a]2){1|C<3>,1|P<4>,1|S<2>,3|H<1>,4|C<4>}	C[5,5,6](C[5,6]C[5,6]C[5a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|P<4>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[5a])(PC[6a]2Rh){2|C<3>,2|H<1>,4|C<4>}	106.6320	0.000	1	106.6320	0.000	1	106.6320	0.000	1	106.6320	0.000	1	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	4:3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C[5,5]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]C)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]C)(H){1|H<1>,7|C<3>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	106.9380	0.000	1	106.9380	0.000	1	107.1640	0.102	2	107.1640	0.102	2	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	4:3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C[5,5]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]C[5])(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]C)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]C[5])(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]C)(H){2|H<1>,8|C<3>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	107.3900	0.000	1	107.3900	0.000	1	107.1640	0.102	2	107.1640	0.102	2	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	4:3:3:3:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	B[5,5]-4:C[5,6]-3:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	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)	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[5,6](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>}	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>}	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>}	109.5810	0.695	3	109.5810	0.483	3	109.5810	0.483	3	109.1752	0.576	5	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	4:3:3:3:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6]-4:C[5,6]-3:C[5,5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[5,5,6]C[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](C[5,6]C[5,6]C[6a]H)(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<1>,3|H<1>,8|C<3>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(C[6a]C[6a]2){4|H<1>,8|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<1>,4|H<1>,7|C<3>}	108.5665	0.322	2	108.5665	0.104	2	108.5665	0.104	2	109.1752	0.576	5	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	4:3:3:4:	3:2:3:	C[5,5,6]-4:C[5,6]-3:C[6]-3:	C[5,6,6]-4:C[5,6]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:N[5]-2:C[6]-3:	C[5,6](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6]C[6]N[5])(C[6]C[6]H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,6]C[6])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[5,6](C[5,6]C[5,5,6]C[6])(N[5]C[5,6])(C[6]C[6]O)	C[5,6](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6]C[6]N[5])(C[6]C[6]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,6]C[6])(C[5,6]C[6]N[5])(C[5]C[5]HH){3|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,5,6]C[6])(N[5]C[5,6])(C[6]C[6]O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	105.8110	0.000	1	105.8110	0.000	1	105.8110	0.000	1	105.8110	0.000	1	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	4:3:3:4:	3:3:3:	C[5,5,6]-4:C[5,6]-3:C[6]-3:	C[5,6,6]-4:C[5,6]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6]C[6]N[5])(C[6]C[6]H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,6]C[6])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[5,6](C[5,6]C[5,5,6]C[6])(N[5]C[5,6]H)(C[6]C[6]O)	C[5,6](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6]C[6]N[5])(C[6]C[6]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,6]C[6])(C[5,6]C[6]N[5])(C[5]C[5]HH){3|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,5,6]C[6])(N[5]C[5,6]H)(C[6]C[6]O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	106.8670	0.000	1	106.8670	0.000	1	106.8670	0.000	1	106.8670	0.000	1	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	4:3:3:4:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5,6]-4:C[5,5]-3:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CCCH)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CCCH){1|C<3>,1|O<1>,3|C<4>}	108.6060	0.000	1	108.6060	0.000	1	108.6060	0.000	1	108.6060	0.000	1	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	4:3:4:1:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HS)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a])(COO)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2){1|C<4>,1|S<4>,3|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HS)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a])(COO){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	106.7850	0.000	1	106.7850	0.000	1	106.7850	0.000	1	106.7850	0.000	1	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	4:4:3:1:	4:3:2:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:O-2:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CC[6a]O)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(OIr)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CC[6a]O){2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H){1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(OIr){3|C<4>,3|H<1>}	103.9060	0.000	1	103.9060	0.000	1	104.4300	0.549	2	104.4300	0.549	2	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	4:4:3:1:	4:3:2:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:O-2:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CC[6a]O)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(ORu)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CC[6a]O){2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H){1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(ORu){3|C<4>,3|H<1>}	104.9540	0.000	1	104.9540	0.000	1	104.4300	0.549	2	104.4300	0.549	2	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a])(COO)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HS)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a])(COO){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HS)(C[5,6]C[5,6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2){1|C<4>,1|S<4>,3|C<3>,5|H<1>}	108.4500	0.000	1	108.4500	0.000	1	108.4500	0.000	1	108.4500	0.000	1	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	4:4:3:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:N-3:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:P-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]P)(NC[6a]Si)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(PRhCN)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]P)(NC[6a]Si){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(H){1|P<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(PRhCN){1|C<4>,5|H<1>}	107.4980	0.000	1	107.4980	0.000	1	107.4980	0.000	1	107.4980	0.000	1	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	3:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5]-3:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:N-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(CH3)	C[5,5,6](C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(NCS)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(CH3){1|C<4>,1|O<1>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H){1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(NCS){1|C<4>,1|O<1>,3|H<1>}	107.1640	1.154	2	107.1640	1.332	2	107.1640	1.332	2	107.1640	1.332	2	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	3:4:3:4:	3:3:3:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:C[5,5]-4:C[5,6]-3:C-4:	P[5,5,6]-3:C[5,6]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C[6a])(CH3)	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3)	C[5,6](P[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C[6a])(CH3){2|H<1>,4|C<3>}	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3){1|C<4>,3|C<3>}	C[5,6](P[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,5,6]C)(C[6a]C[6a]2){2|C<4>,3|C<3>,4|H<1>}	112.2360	0.000	1	112.2360	0.000	1	112.2360	0.000	1	112.2360	0.000	1	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	3:4:3:4:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:C[5,5]-4:C[5,6]-3:C-4:	P[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C[6a])(CH3)	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3)	C[5,6](P[5,5,6]C[5,5]C[5,6]Pd)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C[6a])(CH3){1|Pd<4>,2|H<1>,4|C<3>}	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3){1|Pd<4>,4|C<3>}	C[5,6](P[5,5,6]C[5,5]C[5,6]Pd)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2){1|C<4>,4|C<3>,4|H<1>}	111.1480	0.000	1	111.1480	0.000	1	111.8540	0.997	2	111.8540	0.997	2	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	3:4:3:4:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:C[5,5]-4:C[5,6]-3:C-4:	P[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C[6a])(CH3)	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3)	C[5,6](P[5,5,6]C[5,5]C[5,6]Rh)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C[6a])(CH3){1|Rh<6>,2|H<1>,4|C<3>}	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3){1|Rh<6>,4|C<3>}	C[5,6](P[5,5,6]C[5,5]C[5,6]Rh)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2){1|C<4>,4|C<3>,4|H<1>}	112.5600	0.000	1	112.5600	0.000	1	111.8540	0.997	2	111.8540	0.997	2	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:3:2:4:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5]-4:C[5,6]-3:O[5,6]-2:C-4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]C)(O[5,6]N[5,6])(CH3)	C[5,6](C[5,5,6]C[5,5]N[5,6]C)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[5,6]C[5,5,6]C)(CH3){1|N<3>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]C)(O[5,6]N[5,6])(CH3){1|C<3>,2|C<4>}	C[5,6](C[5,5,6]C[5,5]N[5,6]C)(C[5,6]C[5,5,6]C)(CH3){1|C<3>,1|O<2>,3|C<4>}	106.9530	0.426	2	106.9530	0.181	2	106.9530	0.181	2	106.9530	0.181	2	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:3:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:C[6]-4:	C[5,5]-4:C[5,6]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(C[6]C[6]2H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C[6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(C[6]C[6]2H){1|C<4>,2|C<3>,8|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C[6])(C[5,6]C[5,6]H)(H){3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6])(H){1|C<3>,3|C<4>,4|H<1>}	106.4540	0.000	1	106.4540	0.000	1	106.4540	0.000	1	106.4540	0.000	1	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,5]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CCCH)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CCCH){1|C<3>,1|O<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(H){3|C<3>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	107.4640	0.000	1	107.4640	0.000	1	107.4640	0.000	1	107.4640	0.000	1	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:3:3:4:	4:3:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-4:C[5,5]-3:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]H)(CCHH)	C[5,5,6](C[5,6]C[5,6]SiH)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(CCHH)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]H)(CCHH){1|Si<4>,1|C<4>,1|O<1>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]SiH)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(CCHH){1|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	108.5620	0.000	1	108.5620	0.000	1	108.5620	0.000	1	108.5620	0.000	1	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:3:3:4:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[3x5,6,6]-4:B[5,5]-3:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[3x5,6,6]B[5,5]C)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(B[5,5]C[5,5,6]C[6a])(C[5,6]C[5,6]C)(CH3)	C[5,6](C[5,5,6]C[3x5,6,6]B[5,5]C)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[3x5,6,6]B[5,5]C)(C[5,6]C[5,5,6]C)(CH3){2|C<3>,3|C<4>}	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(B[5,5]C[5,5,6]C[6a])(C[5,6]C[5,6]C)(CH3){1|H<1>,1|O<1>,1|O<2>,3|C<3>,5|C<4>}	C[5,6](C[5,5,6]C[3x5,6,6]B[5,5]C)(C[5,6]C[5,5,6]C)(CH3){2|C<3>,3|C<4>}	110.4990	0.008	2	110.4990	0.000	2	110.4990	0.000	2	109.3662	3.943	6	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:3:3:4:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:B[5,5]-3:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5,6]B[5,5]C)(C[5,6]C[5,5,6]C)(CCHH)	C[5,5,6](C[5,5,6]C[5,5,6]B[5]C)(B[5,5]C[5,5,6]C[6a])(C[5,6]C[5,6]C)(CCHH)	C[5,6](C[5,5,6]C[5,5,6]B[5,5]C)(C[5,6]C[5,5,6]C)(CCHH)	C[5,6](C[5,5,6]C[5,5,6]B[5,5]C)(C[5,6]C[5,5,6]C)(CCHH){1|B<3>,1|C<3>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]B[5]C)(B[5,5]C[5,5,6]C[6a])(C[5,6]C[5,6]C)(CCHH){3|C<4>,5|C<3>}	C[5,6](C[5,5,6]C[5,5,6]B[5,5]C)(C[5,6]C[5,5,6]C)(CCHH){2|C<3>,3|C<4>}	109.7010	0.000	1	109.7010	0.000	1	110.6425	1.773	2	109.3662	3.943	6	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:3:3:4:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:B[5,5]-3:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5,6]B[5,5]C)(C[5,6]C[5,5,6]C)(CCHH)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(B[5,5]C[5,5,6]C[6a])(C[5,6]C[5,6]C)(CCHH)	C[5,6](C[5,5,6]C[5,5,6]B[5,5]C)(C[5,6]C[5,5,6]C)(CCHH)	C[5,6](C[5,5,6]C[5,5,6]B[5,5]C)(C[5,6]C[5,5,6]C)(CCHH){2|C<3>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(B[5,5]C[5,5,6]C[6a])(C[5,6]C[5,6]C)(CCHH){1|B<3>,3|C<3>,4|C<4>}	C[5,6](C[5,5,6]C[5,5,6]B[5,5]C)(C[5,6]C[5,5,6]C)(CCHH){1|B<3>,1|C<3>,3|C<4>}	111.5840	0.000	1	111.5840	0.000	1	110.6425	1.773	2	109.3662	3.943	6	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:3:3:4:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5]-4:C[5,6]-3:N[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5]N[5,6]C)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]C)(N[5,6]O[5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5]N[5,6]C)(C[5,6]C[5,5,6]C)(CH3){1|C<3>,1|O<2>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]C)(N[5,6]O[5,6]C)(CH3){2|C<4>}	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[5,6]C[5,5,6]C)(CH3){1|N<3>,3|C<4>}	106.9570	0.714	2	106.9570	0.510	2	106.9570	0.510	2	109.3662	3.943	6	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,6]-3:P-4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C[5a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[5a])(PC[6a]2Rh)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]P)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]P)(C[5a]C[5a]2)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[5a])(PC[6a]2Rh){2|C<3>,2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]P)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]P)(C[5a]C[5a]2){1|C<3>,1|P<4>,1|S<2>,3|H<1>,4|C<4>}	107.9480	0.000	1	107.9480	0.000	1	107.9480	0.000	1	106.6600	3.318	2	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,6]-3:P-4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:N-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(PRhCN)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]P)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]P)(NC[6a]Si)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(PRhCN){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]P)(H){1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]P)(NC[6a]Si){1|C<4>,5|H<1>}	105.3720	0.000	1	105.3720	0.000	1	105.3720	0.000	1	106.6600	3.318	2	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:4:3:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	As[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](As[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3){1|Pd<4>,1|C<3>,2|C<4>,2|H<1>}	C[5,5,6](As[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]C)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3){1|Pd<4>,1|C<3>,1|C<4>,1|P<4>,2|H<1>}	112.0815	0.349	2	112.0815	0.122	2	111.7001	0.131	16	111.0588	2.457	19	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:4:3:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	As[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](As[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]C[6a]H)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3){1|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	C[5,5,6](As[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]C[6a]H)(C[5,6]C[5,6]C)(H){1|C<4>,1|P<4>,2|H<1>,4|C<3>}	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3){1|Pd<4>,1|C<3>,1|C<4>,1|P<4>,2|H<1>}	111.3250	0.000	1	111.3250	0.000	1	111.7001	0.131	16	111.0588	2.457	19	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:4:3:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	As[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](As[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3){1|Pd<4>,1|C<3>,1|C<4>,3|H<1>}	C[5,5,6](As[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3){1|Pd<4>,1|C<3>,1|C<4>,1|P<4>,2|H<1>}	111.4965	0.178	4	111.4965	0.032	4	111.7001	0.131	16	111.0588	2.457	19	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:4:3:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	As[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](As[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]HP)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3){1|Pd<4>,1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[5,5,6](As[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]HP)(C[5,6]C[5,6]C)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3){1|Pd<4>,1|C<3>,1|C<4>,3|H<1>}	111.8975	0.373	4	111.7787	0.142	7	111.7001	0.131	16	111.0588	2.457	19	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:4:3:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	As[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](As[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]HP)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3){1|Pd<4>,1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[5,5,6](As[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]HP)(C[5,6]C[5,6]C)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3){1|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	111.9760	0.000	1	111.7787	0.142	7	111.7001	0.131	16	111.0588	2.457	19	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:4:3:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	As[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](As[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]HP)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3){1|Pd<4>,1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[5,5,6](As[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]HP)(C[5,6]C[5,6]C)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3){1|Pd<4>,1|C<3>,2|C<4>,2|H<1>}	111.4425	0.333	2	111.7787	0.142	7	111.7001	0.131	16	111.0588	2.457	19	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:4:3:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	As[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](As[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3){1|Pt<4>,1|C<3>,1|C<4>,3|H<1>}	C[5,5,6](As[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3){1|Pt<4>,1|C<3>,1|C<4>,1|P<4>,2|H<1>}	111.2900	0.000	1	111.2900	0.000	1	111.7001	0.131	16	111.0588	2.457	19	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:4:3:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	As[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](As[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]HP)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3){1|Pt<4>,1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[5,5,6](As[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]HP)(C[5,6]C[5,6]C)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3){1|Pt<4>,1|C<3>,1|C<4>,3|H<1>}	111.9870	0.000	1	111.9870	0.000	1	111.7001	0.131	16	111.0588	2.457	19	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:4:3:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CCCH)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CCHH)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CCCH){1|O<2>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(H){2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CCHH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	107.5380	0.000	1	107.5380	0.000	1	107.3455	0.074	2	111.0588	2.457	19	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:4:3:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CCHH)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CCHH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	107.1530	0.000	1	107.1530	0.000	1	107.3455	0.074	2	111.0588	2.457	19	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:4:3:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]HH)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3){1|O<2>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(H){1|C<3>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	108.2240	0.000	1	108.2240	0.000	1	108.2240	0.000	1	111.0588	2.457	19	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:4:3:4:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CCHH)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(CCCH)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CCHH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(CCCH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	108.3510	0.000	1	108.3510	0.000	1	107.8723	0.202	3	107.8550	0.177	15	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:4:3:4:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CCHH)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CCCH)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CCHH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(CH3){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CCCH){1|O<2>,2|H<1>,3|C<4>}	107.8060	0.000	1	107.8060	0.000	1	107.8723	0.202	3	107.8550	0.177	15	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:4:3:4:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]HH)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(CCCH)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(CCCH){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3){1|O<2>,2|C<4>,3|H<1>}	107.4600	0.000	1	107.4600	0.000	1	107.8723	0.202	3	107.8550	0.177	15	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:4:3:4:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CH3){2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(CH3){1|H<1>,1|N<3>,2|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CH3){1|H<1>,1|N<3>,4|C<4>}	108.0008	0.491	6	108.0008	0.241	6	107.8507	0.189	12	107.8550	0.177	15	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:4:3:4:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HN)(C[5,6]C[5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CH3){1|H<1>,1|N<3>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HN)(C[5,6]C[5,6]C)(CH3){2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CH3){2|H<1>,4|C<4>}	107.7005	0.347	6	107.7005	0.120	6	107.8507	0.189	12	107.8550	0.177	15	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:4:4:3:	4:3:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,5]-4:C[5]-4:C[5,6]-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]H)(CH3)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5]C[5]O[5]H)(C[5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]H)(CH3){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5]C[5]O[5]H)(C[5,6]C[5,6]C){2|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(H){2|H<1>,4|C<4>}	107.5780	0.000	1	107.5780	0.000	1	107.5780	0.000	1	107.5780	0.000	1	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:4:3:	4:2:3:2:	3:4:4:	C[5,5,6]-4:C[5,6]-4:C[5,6]-3:	C[5,6]-4:O[5,6]-2:C[5,6]-3:O[5]-2:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,6]O[5])(C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])	C[5,5,6](C[5,6]C[5]C[6]O)(O[5,6]C[5,5,6])(C[5,6]C[5,6]2)(O[5]C[5,5])	C[5,6](C[5,6]C[5,5,6]C[5,6])(C[5]C[5,6]C[5]H)(C[6]C[6]CO)	C[5,6](C[5,5,6]C[5,6]O[5,6]O[5])(C[5,6]C[5]2C[6])(C[5,6]C[5]C[6]){1|O<1>,2|O<2>,4|H<1>,9|C<4>}	C[5,5,6](C[5,6]C[5]C[6]O)(O[5,6]C[5,5,6])(C[5,6]C[5,6]2)(O[5]C[5,5]){1|C<3>,1|O<2>,3|H<1>,7|C<4>}	C[5,6](C[5,6]C[5,5,6]C[5,6])(C[5]C[5,6]C[5]H)(C[6]C[6]CO){1|C<3>,3|H<1>,4|C<4>,4|O<2>}	108.3700	0.000	1	108.3700	0.000	1	108.3700	0.000	1	108.3700	0.000	1	108.1066	2.517	309	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5]	4:3:3:	3:3:3:4:	3:3:3:	C[5,5,6]-4:C[5,6]-3:C[5]-3:	C[5,5,6]-3:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]C[6a])	C[5,5,6](C[5,5,6]C[5,5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]C[5,6]HH)	C[5](C[5,6]C[5,5,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]C[6a]){2|C<4>,2|H<1>,8|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]C[5,6]HH){10|C<3>,1|H<1>}	C[5](C[5,6]C[5,5,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){3|Cl<1>,1|C<4>,7|C<3>}	107.8910	0.000	1	107.8910	0.000	1	107.8910	0.000	1	107.8910	0.000	1	109.7022	3.465	19	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5]	4:3:3:	3:3:4:4:	3:3:3:	C[5,5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:N[5,6]-3:C[5,5]-4:C-4:	C[5,6]-3:C[5]-3:C-3:	C[5,6](C[5,5,6]C[5,5]N[5,6]C)(C[5]C[5]C)(C[6]C[6]H)	C[5,5,6](C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(C[5,5]C[5]2O)(CH3)	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]C)(COO)	C[5,6](C[5,5,6]C[5,5]N[5,6]C)(C[5]C[5]C)(C[6]C[6]H){1|H<1>,1|O<2>,4|C<3>}	C[5,5,6](C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(C[5,5]C[5]2O)(CH3){2|H<1>,5|C<3>}	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]C)(COO){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	108.0860	0.000	1	108.0860	0.000	1	108.0860	0.000	1	108.0860	0.000	1	109.7022	3.465	19	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5]	4:3:3:	3:4:3:4:	3:2:4:	C[5,5,6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,5]-4:C[5,6]-3:C[6]-4:	C[5,6]-3:O[5]-2:C-4:	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[5]O[5]C)(C[6]N[6]O)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)	C[5](C[5,6]C[5,5,6]C[6])(O[5]C[5,5])(CH3)	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[5]O[5]C)(C[6]N[6]O){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,5,6]C[6])(O[5]C[5,5])(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|N<3>}	109.9160	0.000	1	109.9160	0.000	1	109.9160	0.000	1	109.9160	0.000	1	109.7022	3.465	19	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5]	4:3:3:	3:4:3:4:	3:3:1:	C[5,5,6]-4:C[5]-3:C[6]-3:	C[6,6a]-3:C[5,5]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5]C[5]H)(C[6]C[6]H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]O)(H)	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5]C[5]H)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6])(C[5]C[5]HH){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]O)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	111.2810	0.000	1	111.2810	0.000	1	111.2810	0.000	1	111.2810	0.000	1	109.7022	3.465	19	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5]	4:3:3:	4:3:3:3:	3:3:2:	C[5,5,6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6]-3:C[5]-3:C[5]-3:	C[5,6]-3:C[6a]-3:N[5]-2:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]C[6a]N[5])(C[6]C[6a]C[6])	C[5,5,6](C[5,6]C[5,6]CC)(C[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[5]N[5]C)	C[5](C[5,6]C[5,5,6]C[6])(C[6a]C[6a]2)(N[5]C[5])	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]C[6a]N[5])(C[6]C[6a]C[6]){1|H<1>,2|C<4>,8|C<3>}	C[5,5,6](C[5,6]C[5,6]CC)(C[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[5]N[5]C){1|H<1>,6|C<3>}	C[5](C[5,6]C[5,5,6]C[6])(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,2|H<1>,6|C<3>}	106.3960	0.000	1	106.3960	0.000	1	106.3960	0.000	1	106.3960	0.000	1	109.7022	3.465	19	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5]	4:3:3:	4:3:4:3:	3:3:1:	C[5,5,6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6]-3:C[5]-4:C[5]-3:	C[5,6]-3:N[5]-3:O-1:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]N[5]O)(C[6]C[6]H)	C[5,5,6](C[5,6]C[5]C[6]O)(C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5,6]C[5,5,6]C[6])(N[5]C[6a]C[5])(O)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]N[5]O)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[5]C[6]O)(C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]N[5]O){1|O<1>,3|C<3>,5|H<1>}	C[5](C[5,6]C[5,5,6]C[6])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	110.5785	0.050	2	110.5785	0.003	2	110.5785	0.003	2	110.5785	0.003	2	109.7022	3.465	19	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5]	4:3:3:	4:4:3:1:	3:2:1:	C[5,5,6]-4:C[5]-3:C[6]-3:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(C[6]O[6]H)	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(H)	C[5](C[5,6]C[5,5,6]C[6])(O[5]C[5,5])(O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(C[6]O[6]H){1|C<4>,2|C<3>,2|H<1>}	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(H){1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[5](C[5,6]C[5,5,6]C[6])(O[5]C[5,5])(O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	109.0600	0.000	1	109.0600	0.000	1	109.0600	0.000	1	109.0600	0.000	1	109.7022	3.465	19	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5]	4:3:3:	4:4:3:2:	3:2:1:	C[5,5,6]-4:C[5]-3:C[6]-3:	C[5,5]-4:C[5,6]-4:C[5,6]-3:O-2:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]O[5]O)(C[6]C[6]H)	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(OH)	C[5](C[5,6]C[5,5,6]C[6])(O[5]C[5,5])(O)	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]O[5]O)(C[6]C[6]H){3|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,7|H<1>}	C[5](C[5,6]C[5,5,6]C[6])(O[5]C[5,5])(O){1|O<2>,2|H<1>,3|C<4>}	107.6960	0.000	1	107.6960	0.000	1	107.6960	0.000	1	107.6960	0.000	1	109.7022	3.465	19	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5]	4:3:3:	4:4:3:2:	3:3:1:	C[5,5,6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6]-4:C[5,6]-3:O[5]-2:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[5,5,6]C[5,6]2O[5])(C[5]C[5]H)(C[6]C[6]H)	C[5,5,6](C[5,6]N[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5,6]C[5]C[6])(O[5]C[5])	C[5](C[5,6]C[5,5,6]C[6])(C[5]O[5]O)(H)	C[5,6](C[5,5,6]C[5,6]2O[5])(C[5]C[5]H)(C[6]C[6]H){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,5,6](C[5,6]N[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5,6]C[5]C[6])(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,5,6]C[6])(C[5]O[5]O)(H){1|C<3>,1|H<1>,2|C<4>}	109.1590	0.000	1	109.1590	0.000	1	109.1590	0.000	1	109.1590	0.000	1	109.7022	3.465	19	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5]	4:3:3:	4:4:3:3:	3:3:3:	C[5,5,6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[5,5]-4:C[5,6]-3:C-3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5]C[6a]C[5])(C[6]C[6,6a]H)	C[5,5,6](C[5,6]C[6,6a]C[5]O)(C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6])(COO)	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]C)(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5]C[6a]C[5])(C[6]C[6,6a]H){1|C<4>,1|H<1>,2|O<2>,5|C<3>}	C[5,5,6](C[5,6]C[6,6a]C[5]O)(C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6])(COO){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]C)(C[6a]C[6a]2){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	107.5870	0.000	1	107.5870	0.000	1	107.5870	0.000	1	107.5870	0.000	1	109.7022	3.465	19	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5]	4:3:3:	4:4:3:4:	3:2:1:	C[5,5,6]-4:C[6]-3:C[5]-3:	C[5,3x6]-4:C[3,5]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,5,6]C[5,3x6]C[3,5]C[5])(C[6]C[6,6]H)(C[5]O[5]O)	C[5,5,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[3,5]C[5,6]C[3]O[3])(C[5,6]C[5]C[6])(C[5]O[5]HH)	C[5](C[5,6]C[5,5,6]C[6])(O[5]C[5])(O)	C[5,6](C[5,5,6]C[5,3x6]C[3,5]C[5])(C[6]C[6,6]H)(C[5]O[5]O){1|C<3>,1|O<2>,2|H<1>,6|C<4>}	C[5,5,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[3,5]C[5,6]C[3]O[3])(C[5,6]C[5]C[6])(C[5]O[5]HH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,8|H<1>}	C[5](C[5,6]C[5,5,6]C[6])(O[5]C[5])(O){3|C<4>,3|H<1>}	109.4645	0.682	2	109.4645	0.466	2	109.4645	0.466	2	109.4645	0.466	2	109.7022	3.465	19	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5]	4:4:3:	3:2:4:2:	3:3:4:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:O[5,6]-2:C[5]-4:O[5]-2:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[5,5,6]O[5,6]C[5]O[5])(C[6]C[5,6]HH)(C[5]C[5]C)	C[5,5,6](C[5,6]C[5]C[6])(O[5,6]C[5,5,6])(C[5]C[5]HH)(O[5]C[5])	C[5](C[5,6]C[5,5,6]C[6])(C[5]O[5]O)(CH3)	C[5,6](C[5,5,6]O[5,6]C[5]O[5])(C[6]C[5,6]HH)(C[5]C[5]C){1|O<1>,3|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[5]C[6])(O[5,6]C[5,5,6])(C[5]C[5]HH)(O[5]C[5]){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,5,6]C[6])(C[5]O[5]O)(CH3){1|O<2>,2|C<4>,2|H<1>}	109.7630	0.000	1	109.7630	0.000	1	109.7630	0.000	1	109.7630	0.000	1	109.7022	3.465	19	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5]	4:4:3:	3:3:3:3:	3:3:1:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:N[5,5]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]H)	C[5,5,6](C[5,6]C[5]C[6])(N[5,5]C[5]2)(C[5]C[5]H)(C[6]C[6]H)	C[5](C[5,6]C[5,5,6]C[6])(C[5]N[5,5]O)(H)	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,5,6](C[5,6]C[5]C[6])(N[5,5]C[5]2)(C[5]C[5]H)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,6|H<1>}	C[5](C[5,6]C[5,5,6]C[6])(C[5]N[5,5]O)(H){2|C<3>,2|C<4>,2|H<1>}	109.9460	0.000	1	109.9460	0.000	1	109.9460	0.000	1	109.9460	0.000	1	109.7022	3.465	19	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5]	4:4:3:	3:3:4:4:	3:3:1:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5,6]-3:C[5,5]-4:C[6]-4:	C[5,6]-3:N[5]-3:H-1:	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[6]N[6]HH)(C[5]N[5]H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[5,5]N[5]2H)(C[6]C[6]HH)	C[5](C[5,6]C[5,5,6]C[6])(N[5]C[5,5]S)(H)	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[6]N[6]HH)(C[5]N[5]H){1|C<4>,1|N<3>,2|C<3>,2|S<4>,3|H<1>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[5,5]N[5]2H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|S<4>,2|C<3>,6|H<1>}	C[5](C[5,6]C[5,5,6]C[6])(N[5]C[5,5]S)(H){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	111.5780	0.000	1	111.5780	0.000	1	111.5780	0.000	1	111.5780	0.000	1	109.7022	3.465	19	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5]	4:4:3:	3:4:4:3:	3:3:1:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[5,5]-4:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[6]CC)(C[5]C[5]H)	C[5,5,6](C[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]HH)(C[6]C[6]C)	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]O)(H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[6]CC)(C[5]C[5]H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]HH)(C[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,7|H<1>}	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]O)(H){1|H<1>,3|C<3>,3|C<4>}	113.4165	0.308	2	113.4165	0.095	2	113.4165	0.095	2	113.4165	0.095	2	109.7022	3.465	19	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5]	4:4:3:	4:3:2:2:	3:3:4:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6]-3:O[5]-2:O[5]-2:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[5,5,6]C[5,6]O[5]2)(C[6]C[5,6]HH)(C[5]C[5]C)	C[5,5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6])(O[5]C[5])2	C[5](C[5,6]C[5,5,6]C[6])(C[5]O[5]O)(CH3)	C[5,6](C[5,5,6]C[5,6]O[5]2)(C[6]C[5,6]HH)(C[5]C[5]C){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6])(O[5]C[5])2{1|O<1>,3|H<1>,5|C<4>}	C[5](C[5,6]C[5,5,6]C[6])(C[5]O[5]O)(CH3){1|O<2>,2|C<4>,2|H<1>}	109.0630	0.000	1	109.0630	0.000	1	109.0630	0.000	1	109.0630	0.000	1	109.7022	3.465	19	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5]	C[5,6]	3:3:4:	3:4:3:3:	4:3:4:	C[5,6]-3:C[6]-3:C[5,5]-4:	C[5,6]-3:C[5]-4:C[5]-3:C[5]-3:	C[3,6]-4:C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[3,6]C[5])(C[6]C[6,6a]O)(C[5,5]C[5]3)	C[5,5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(C[5]C[5]C)(C[5]O[5]O)	C[5,6](C[3,6]C[6,6a]C[3]2)(C[5,6]C[5,5]C[6])(C[5]C[5]HH)	C[5,6](C[5,6]C[3,6]C[5])(C[6]C[6,6a]O)(C[5,5]C[5]3){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[5,5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(C[5]C[5]C)(C[5]O[5]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[3,6]C[6,6a]C[3]2)(C[5,6]C[5,5]C[6])(C[5]C[5]HH){1|O<1>,4|C<3>,6|H<1>}	112.6670	0.000	1	112.6670	0.000	1	112.6670	0.000	1	112.6670	0.000	1	110.4485	3.070	30	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5]	C[5,6]	3:4:3:	3:3:3:3:	3:3:3:	C[5,6]-3:C[5,5]-4:C[6]-3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6]-3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5,6a]C[6])(C[5,5]C[5,6a]3)(C[6]C[6]H)	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5,6]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5]C[6])(C[6]C[6]H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5,5]C[5,6a]3)(C[6]C[6]H){1|C<2>,1|H<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5,6]C[5,6]C[6]){4|H<1>,8|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5]C[6])(C[6]C[6]H){2|H<1>,5|C<3>}	111.5900	0.000	1	111.1215	0.439	2	111.1215	0.439	2	111.1215	0.439	2	110.4485	3.070	30	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5]	C[5,6]	3:4:3:	3:3:3:3:	3:3:3:	C[5,6]-3:C[5,5]-4:C[6]-3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6]-3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5,6a]C[6])(C[5,5]C[5,6a]3)(C[6]C[6]H)	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5,6]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5]C[6])(C[6]C[6]H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5,5]C[5,6a]3)(C[6]C[6]H){1|H<1>,1|O<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5,6]C[5,6]C[6]){4|H<1>,8|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5]C[6])(C[6]C[6]H){1|I<1>,2|H<1>,5|C<3>}	110.6530	0.000	1	111.1215	0.439	2	111.1215	0.439	2	111.1215	0.439	2	110.4485	3.070	30	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5]	C[5,6]	3:4:3:	3:4:2:2:	4:3:3:	C[5,6]-3:C[5,5]-4:C[6]-3:	C[5,6]-3:C[5]-4:O[5]-2:O[5]-2:	C[6,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[6,6]C[5])(C[5,5]C[5]O[5]2)(C[6]C[6]O)	C[5,5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(O[5]C[5])2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,5]C[6])(C[5]O[5]O)	C[5,6](C[5,6]C[6,6]C[5])(C[5,5]C[5]O[5]2)(C[6]C[6]O){1|O<1>,4|H<1>,5|C<4>}	C[5,5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(O[5]C[5])2{2|O<1>,3|C<4>,3|H<1>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,5]C[6])(C[5]O[5]O){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	112.0870	0.000	1	112.0870	0.000	1	112.0870	0.000	1	112.0870	0.000	1	110.4485	3.070	30	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5]	C[5,6]	3:4:4:	3:3:3:3:	3:3:3:	C[5,6]-3:C[5,5]-4:C[6]-4:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6]-3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5,6a]C[6])(C[5,5]C[5,6a]3)(C[6]C[6]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5,6]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5]C[6])(C[6]C[6]H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5,5]C[5,6a]3)(C[6]C[6]HH){1|H<1>,1|O<2>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5,6]C[5,6]C[6]){5|H<1>,8|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5]C[6])(C[6]C[6]H){1|I<1>,3|H<1>,5|C<3>}	115.0780	0.000	1	115.0780	0.000	1	115.0780	0.000	1	115.0780	0.000	1	110.4485	3.070	30	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5]	C[5,6]	4:3:2:	3:4:3:1:	4:3:3:	C[5,5]-4:C[5,6]-3:C[6]-2:	C[5,6a]-3:C[3,5,5]-4:C[5,6]-3:H-1:	C[3,5]-4:C[5,6]-3:C[6]-3:	C[5,6](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6]C[3,5]C[6])(C[6]C[6])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5,5]C[3,5]2C)(C[5,6]C[5,6]C[6])(H)	C[5,6](C[3,5]C[3,5,5]C[3,5]H)(C[5,6]C[5,5]C[6])(C[6]C[6]H)	C[5,6](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6]C[3,5]C[6])(C[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5,5]C[3,5]2C)(C[5,6]C[5,6]C[6])(H){2|H<1>,5|C<3>}	C[5,6](C[3,5]C[3,5,5]C[3,5]H)(C[5,6]C[5,5]C[6])(C[6]C[6]H){2|H<1>,5|C<3>}	109.8300	0.000	1	109.8300	0.000	1	109.8300	0.000	1	109.8300	0.000	1	110.4485	3.070	30	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5]	C[5,6]	4:3:3:	3:3:3:3:	3:3:3:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,6a]-3:C[5,6a]-3:C[5,6]-3:C[5,6]-3:	C[5,6]-3:C[5,6]-3:N[6]-3:	C[5,6](C[5,5]C[5,6a]2C[5,6])(C[5,6]C[5,6]N[6])(C[6]C[6]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,6]C[5,6]C[6])2	C[5,6](C[5,6]C[5,5]C[6])(C[5,6]C[5,6]N[6])(N[6]C[6]Ir)	C[5,6](C[5,5]C[5,6a]2C[5,6])(C[5,6]C[5,6]N[6])(C[6]C[6]H){1|Ir<6>,1|H<1>,1|N<3>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,6]C[5,6]C[6])2{2|N<3>,4|H<1>,6|C<3>}	C[5,6](C[5,6]C[5,5]C[6])(C[5,6]C[5,6]N[6])(N[6]C[6]Ir){1|H<1>,6|C<3>}	110.0000	0.000	1	109.1980	1.286	2	109.1980	1.286	2	109.1980	1.286	2	110.4485	3.070	30	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5]	C[5,6]	4:3:3:	3:3:3:3:	3:3:3:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,6a]-3:C[5,6a]-3:C[5,6]-3:C[5,6]-3:	C[5,6]-3:C[5,6]-3:N[6]-3:	C[5,6](C[5,5]C[5,6a]2C[5,6])(C[5,6]C[5,6]N[6])(C[6]C[6]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,6]C[5,6]C[6])2	C[5,6](C[5,6]C[5,5]C[6])(C[5,6]C[5,6]N[6])(N[6]C[6]Ir)	C[5,6](C[5,5]C[5,6a]2C[5,6])(C[5,6]C[5,6]N[6])(C[6]C[6]H){1|Ir<6>,1|H<1>,1|N<3>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,6]C[5,6]C[6])2{2|N<3>,4|H<1>,6|C<3>}	C[5,6](C[5,6]C[5,5]C[6])(C[5,6]C[5,6]N[6])(N[6]C[6]Ir){2|H<1>,5|C<3>}	108.3960	0.000	1	109.1980	1.286	2	109.1980	1.286	2	109.1980	1.286	2	110.4485	3.070	30	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5]	C[5,6]	4:3:3:	3:3:3:3:	3:3:4:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:C[5]-3:N[5]-3:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5,6]C[5]C[6])(C[6]C[6,6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5]N[5]O)(N[5]C[5]H)	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6,6a]O)(C[5]N[5]CH)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5,6]C[5]C[6])(C[6]C[6,6a]O){1|C<4>,1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6,6a]O)(C[5]N[5]CH){1|H<1>,1|O<1>,4|C<3>}	111.1965	0.435	2	111.1965	0.189	2	111.1965	0.189	2	111.1965	0.189	2	110.4485	3.070	30	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5]	C[5,6]	4:3:3:	3:3:4:4:	3:2:3:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:C[5,5]-4:C-4:	C[5,6]-3:N[5]-2:C[6]-3:	C[5,6](C[5,5]C[5,6a]C[5,5]C)(C[5,6]C[6]N[5])(C[6]C[6]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,5]N[5]O[5]H)(CC[6]HH)	C[5,6](C[5,6]C[5,5]C[6])(N[5]C[5,5])(C[6]C[6]H)	C[5,6](C[5,5]C[5,6a]C[5,5]C)(C[5,6]C[6]N[5])(C[6]C[6]H){2|H<1>,3|C<3>,3|O<2>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,5]N[5]O[5]H)(CC[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,5]C[6])(N[5]C[5,5])(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	104.7030	0.000	1	104.7030	0.000	1	104.7030	0.000	1	104.7030	0.000	1	110.4485	3.070	30	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5]	C[5,6]	4:3:3:	3:4:3:1:	3:3:3:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[5,5]-4:P[5]-3:H-1:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6](C[5,5]C[5,5]P[5]H)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[5,5](C[5,6]C[5,6]C[6])(C[5,5]C[5]P[5]H)(P[5]C[5]P[5])(H)	C[5,6](C[5,6]C[5,5]C[6])(C[5]C[5,5]H)(C[6]C[6]H)	C[5,6](C[5,5]C[5,5]P[5]H)(C[5,6]C[5]C[6])(C[6]C[6]H){2|C<3>,2|P<3>,3|H<1>}	C[5,5](C[5,6]C[5,6]C[6])(C[5,5]C[5]P[5]H)(P[5]C[5]P[5])(H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,5]C[6])(C[5]C[5,5]H)(C[6]C[6]H){1|C<2>,2|P<3>,4|H<1>}	112.1610	0.000	1	112.1610	0.000	1	112.1610	0.000	1	112.1610	0.000	1	110.4485	3.070	30	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5]	C[5,6]	4:3:3:	3:4:3:1:	3:4:2:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,6a]-3:C[5,5]-4:C[5,6]-3:H-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[6]O[5])(C[6]C[6]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]C[6]O[5])(C[5,6]C[5,6]C[6])(H)	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6]HH)(O[5]C[5,5])	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[6]O[5])(C[6]C[6]O){2|C<4>,3|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]C[6]O[5])(C[5,6]C[5,6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6]HH)(O[5]C[5,5]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	109.1990	0.000	1	109.1990	0.000	1	109.1990	0.000	1	109.1990	0.000	1	110.4485	3.070	30	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5]	C[5,6]	4:3:3:	3:4:4:1:	3:4:2:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[5,5]-4:C[5]-4:H-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O)	C[5,5](C[5,6]C[5,6]C[6])(C[5,5]N[5]O[5]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6]HH)(O[5]C[5,5])	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	C[5,5](C[5,6]C[5,6]C[6])(C[5,5]N[5]O[5]C)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<1>}	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6]HH)(O[5]C[5,5]){1|H<1>,1|N<3>,1|O<1>,5|C<4>}	110.1780	0.018	2	110.1620	0.008	4	110.1318	0.010	5	110.1318	0.010	5	110.4485	3.070	30	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5]	C[5,6]	4:3:3:	3:4:4:1:	3:4:2:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[5,5]-4:C[5]-4:H-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O)	C[5,5](C[5,6]C[5,6]C[6])(C[5,5]N[5]O[5]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6]HH)(O[5]C[5,5])	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	C[5,5](C[5,6]C[5,6]C[6])(C[5,5]N[5]O[5]C)(C[5]C[5]HH)(H){2|O<1>,3|C<4>}	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6]HH)(O[5]C[5,5]){1|H<1>,1|N<3>,1|O<1>,5|C<4>}	110.1460	0.147	2	110.1620	0.008	4	110.1318	0.010	5	110.1318	0.010	5	110.4485	3.070	30	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5]	C[5,6]	4:3:3:	3:4:4:1:	3:4:2:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[5,5]-4:C[5]-4:H-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O)	C[5,5](C[5,6]C[5,6]C[6])(C[5,5]O[5]2C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6]HH)(O[5]C[5,5])	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[5,5](C[5,6]C[5,6]C[6])(C[5,5]O[5]2C)(C[5]C[5]HH)(H){2|C<4>,2|O<1>}	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6]HH)(O[5]C[5,5]){1|H<1>,1|O<1>,1|O<2>,5|C<4>}	110.0110	0.000	1	110.0110	0.000	1	110.1318	0.010	5	110.1318	0.010	5	110.4485	3.070	30	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5]	C[5,6]	4:3:3:	3:4:4:1:	3:4:3:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[5,5]-4:N[5]-4:H-1:	C[5,6]-3:C[5]-4:N[6]-3:	C[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[5]N[6])(C[6]C[6]H)	C[5,5](C[5,6]C[5,6]C[6])(C[5,5]C[5]2H)(N[5]C[5]CH)(H)	C[5,6](C[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(N[6]C[6]H)	C[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[5]N[6])(C[6]C[6]H){1|C<3>,3|C<4>,6|H<1>}	C[5,5](C[5,6]C[5,6]C[6])(C[5,5]C[5]2H)(N[5]C[5]CH)(H){1|C<3>,1|N<3>,7|H<1>}	C[5,6](C[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<4>,4|H<1>}	110.0480	0.000	1	110.0480	0.000	1	110.0480	0.000	1	110.0480	0.000	1	110.4485	3.070	30	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5]	C[5,6]	4:3:3:	4:3:3:1:	3:3:4:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,5]-4:C[5,6]-3:N[5]-3:H-1:	C[5,6]-3:N[5]-3:C[6]-4:	C[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[6]N[5])(C[6]C[6]O)	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5,6]C[5,6]C[6])(N[5]C[5]C)(H)	C[5,6](C[5,6]C[5,5]C[6])(N[5]C[5,5]C[6a])(C[6]C[6]HH)	C[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[6]N[5])(C[6]C[6]O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5,6]C[5,6]C[6])(N[5]C[5]C)(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[5,6](C[5,6]C[5,5]C[6])(N[5]C[5,5]C[6a])(C[6]C[6]HH){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|C<4>}	109.5110	0.020	2	109.5110	0.000	2	109.5110	0.000	2	109.5110	0.000	2	110.4485	3.070	30	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5]	C[5,6]	4:3:3:	4:3:3:2:	3:3:4:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,5]-4:C[5,6]-3:C[5]-3:O-2:	C[5,6]-3:N[5]-3:C[6]-4:	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6]N[5])(C[6]C[6]O)	C[5,5](C[5,5]C[5,6a]N[5]N)(C[5,6]C[5,6]C[6])(C[5]C[5,6a]O)(OH)	C[5,6](C[5,6]C[5,5]C[6])(N[5]C[5,5]C[6a])(C[6]C[6]HH)	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6]N[5])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]N)(C[5,6]C[5,6]C[6])(C[5]C[5,6a]O)(OH){1|O<1>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[5,5]C[6])(N[5]C[5,5]C[6a])(C[6]C[6]HH){1|N<3>,1|O<1>,1|O<2>,3|C<4>,4|C<3>}	110.6510	0.000	1	110.6510	0.000	1	109.7947	0.419	4	109.7947	0.419	4	110.4485	3.070	30	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5]	C[5,6]	4:3:3:	4:3:3:2:	3:3:4:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,5]-4:C[5,6]-3:C[5]-3:O-2:	C[5,6]-3:N[5]-3:C[6]-4:	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6]N[5])(C[6]C[6]O)	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5,6]C[5,6]C[6])(C[5]C[5,6a]O)(OH)	C[5,6](C[5,6]C[5,5]C[6])(N[5]C[5,5]C[6a])(C[6]C[6]HH)	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6]N[5])(C[6]C[6]O){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5,6]C[5,6]C[6])(C[5]C[5,6a]O)(OH){1|O<1>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[5,5]C[6])(N[5]C[5,5]C[6a])(C[6]C[6]HH){1|O<1>,2|O<2>,3|C<4>,4|C<3>}	109.7065	0.214	2	109.7065	0.046	2	109.7947	0.419	4	109.7947	0.419	4	110.4485	3.070	30	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5]	C[5,6]	4:3:3:	4:3:3:2:	3:3:4:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,5]-4:C[5,6]-3:C[5]-3:O-2:	C[5,6]-3:N[5]-3:C[6]-4:	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6]N[5])(C[6]C[6]O)	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5,6]C[5,6]C[6])(C[5]C[5,6a]O)(OH)	C[5,6](C[5,6]C[5,5]C[6])(N[5]C[5,5]H)(C[6]C[6]HH)	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6]N[5])(C[6]C[6]O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5,6]C[5,6]C[6])(C[5]C[5,6a]O)(OH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5,5]C[6])(N[5]C[5,5]H)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	109.1150	0.000	1	109.1150	0.000	1	109.7947	0.419	4	109.7947	0.419	4	110.4485	3.070	30	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5]	C[5,6]	4:3:4:	3:4:3:2:	3:4:3:	C[5,5]-4:C[5,6]-3:C[6]-4:	C[5,6]-3:C[5]-4:N[5]-3:O[5]-2:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,5]C[5]N[5]O[5])(C[5,6]C[5]C[6])(C[6]C[6]CH)	C[5,5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(N[5]C[5]C)(O[5]C[5])	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6]HH)(C[5]O[5]O)	C[5,6](C[5,5]C[5]N[5]O[5])(C[5,6]C[5]C[6])(C[6]C[6]CH){1|O<1>,4|C<4>,6|H<1>}	C[5,5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(N[5]C[5]C)(O[5]C[5]){1|O<1>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	109.9015	0.011	2	109.9015	0.000	2	110.2450	0.354	3	110.2450	0.354	3	110.4485	3.070	30	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5]	C[5,6]	4:3:4:	3:4:3:2:	3:4:3:	C[5,5]-4:C[5,6]-3:C[6]-4:	C[5,6]-3:C[5]-4:N[5]-3:O[5]-2:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,5]C[5]N[5]O[5])(C[5,6]C[5]C[6])(C[6]C[6]HH)	C[5,5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(N[5]C[5]C)(O[5]C[5])	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6]CH)(C[5]O[5]O)	C[5,6](C[5,5]C[5]N[5]O[5])(C[5,6]C[5]C[6])(C[6]C[6]HH){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	C[5,5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(N[5]C[5]C)(O[5]C[5]){1|O<1>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6]CH)(C[5]O[5]O){1|N<3>,2|C<4>,4|H<1>}	110.9320	0.000	1	110.9320	0.000	1	110.2450	0.354	3	110.2450	0.354	3	110.4485	3.070	30	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,5]	C[5,6]	4:3:4:	4:3:4:4:	3:3:2:	C[5,5]-4:C[5,6]-3:C[6]-4:	C[5,5]-4:C[5,6]-3:C[5,5]-4:C-4:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6](C[5,5]C[5,5]2C)(C[5,6]C[5]O[6])(C[6]C[6]HH)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6])(C[5,5]C[5]2H)(CH3)	C[5,6](C[5,6]C[5,5]C[6])(C[5]C[5,5]O)(O[6]C[6])	C[5,6](C[5,5]C[5,5]2C)(C[5,6]C[5]O[6])(C[6]C[6]HH){1|O<1>,3|H<1>,5|C<4>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6])(C[5,5]C[5]2H)(CH3){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,5]C[6])(C[5]C[5,5]O)(O[6]C[6]){3|H<1>,6|C<4>}	112.5270	0.382	2	112.5270	0.146	2	112.5270	0.146	2	112.5270	0.146	2	110.4485	3.070	30	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6,6]	C[5,5]	4:3:4:	4:3:4:3:	4:3:3:	C[5,6,6]-4:C[5,5]-3:C[6]-4:	C[5,6]-4:C[5,6]-3:C[6]-4:C[6]-3:	C[5,5]-4:C[5,6]-3:N[5]-3:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,5]C[5,5]N[5])(C[6]N[6]HH)	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5,5]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5,6]C[5,6,6]C[6])(N[5]C[5,6a]S)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,5]C[5,5]N[5])(C[6]N[6]HH){2|C<4>,2|S<4>,3|C<3>,5|H<1>}	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5,5]C[6])(C[6]C[6]HH)(C[6]C[6]H){2|C<3>,2|N<3>,8|H<1>}	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5,6]C[5,6,6]C[6])(N[5]C[5,6a]S){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	108.8480	0.000	1	108.8480	0.000	1	108.8480	0.000	1	108.8480	0.000	1	108.8480	0.000	1	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6,6]	C[5,6]	4:3:3:	4:3:4:4:	3:2:3:	C[5,6,6]-4:C[5,6]-3:C[6]-3:	C[5,6,6]-4:C[5,6]-3:C[6]-4:C[6]-4:	C[5,6]-3:O[5]-2:C[6]-3:	C[5,6](C[5,6,6]C[5,6,6]C[6]2)(C[5,6]C[6]O[5])(C[6]C[6]H)	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5,6]C[5,6]C[6])(C[6]C[6]HH)2	C[5,6](C[5,6]C[5,6,6]C[6])(O[5]C[5,6,6])(C[6]C[6]O)	C[5,6](C[5,6,6]C[5,6,6]C[6]2)(C[5,6]C[6]O[5])(C[6]C[6]H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5,6]C[5,6]C[6])(C[6]C[6]HH)2{1|C<4>,1|N<4>,2|C<3>,6|H<1>}	C[5,6](C[5,6]C[5,6,6]C[6])(O[5]C[5,6,6])(C[6]C[6]O){1|C<3>,3|C<4>,3|H<1>}	105.6390	0.000	1	105.6390	0.000	1	105.6390	0.000	1	105.6390	0.000	1	107.7395	8.824	2	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6,6]	C[5,6]	4:3:4:	4:3:4:3:	3:2:3:	C[5,6,6]-4:C[5,6]-3:C[6]-4:	C[5,6,6]-4:C[5,6]-3:C[6]-4:C[6]-3:	C[5,6]-3:O[5]-2:C[6]-3:	C[5,6](C[5,6,6]C[5,6,6]C[6]2)(C[5,6]C[6]O[5])(C[6]C[6]HH)	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5,6]C[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[5,6](C[5,6]C[5,6,6]C[6])(O[5]C[5,6,6])(C[6]C[6]H)	C[5,6](C[5,6,6]C[5,6,6]C[6]2)(C[5,6]C[6]O[5])(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5,6]C[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[5,6](C[5,6]C[5,6,6]C[6])(O[5]C[5,6,6])(C[6]C[6]H){2|C<3>,2|C<4>,4|H<1>}	109.8400	0.000	1	109.8400	0.000	1	109.8400	0.000	1	109.8400	0.000	1	107.7395	8.824	2	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6,6]	C[5]	4:3:2:	3:4:4:2:	3:3:3:	C[5,6,6]-4:C[5]-3:O[6]-2:	C[5,6]-3:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6]-3:C[5]-3:C-3:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]C)(O[6]C[6])	C[5,6,6](C[5,6]C[5]O[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(O[5]C[5])	C[5](C[5,6]C[5,6,6]O[6])(C[5]O[5]O)(CCO)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]C)(O[6]C[6]){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[5,6,6](C[5,6]C[5]O[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]O[6])(C[5]O[5]O)(CCO){3|C<4>}	110.8050	0.000	1	110.8050	0.000	1	110.8050	0.000	1	110.8050	0.000	1	109.6351	3.920	35	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6,6]	C[5]	4:3:3:	3:2:4:4:	3:4:4:	C[5,6,6]-4:C[6]-3:C[5]-3:	C[5,6]-3:O[6,6]-2:C[5]-4:C[6]-4:	C[5,6]-3:C[5]-4:C-4:	C[5,6](C[5,6,6]O[6,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]C)	C[5,6,6](C[5,6]C[5]C[6])(O[6,6]C[5,6,6])(C[5]C[5]HH)(C[6]C[6]CH)	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5]HH)(CHHO)	C[5,6](C[5,6,6]O[6,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]C){1|C<3>,4|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5]C[6])(O[6,6]C[5,6,6])(C[5]C[5]HH)(C[6]C[6]CH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5]HH)(CHHO){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	111.8840	0.000	1	111.8840	0.000	1	111.8840	0.000	1	111.8840	0.000	1	109.6351	3.920	35	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6,6]	C[5]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6,6]-4:C[5,6]-3:C[5]-3:	C[5,6a]-3:C[5,6]-3:C[5,6,6]-3:C[6]-3:	C[5,6]-3:C[5,6a]-3:O-1:	C[5,6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5,6,6]C[5,6]2)(C[6]C[5,6]C[6a])	C[5](C[5,6]C[5,6,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O){9|C<3>}	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5,6,6]C[5,6]2)(C[6]C[5,6]C[6a]){10|C<3>,1|H<1>,1|O<1>}	C[5](C[5,6]C[5,6,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,6|C<3>}	107.7070	0.000	1	107.7070	0.000	1	107.7070	0.000	1	107.7070	0.000	1	109.6351	3.920	35	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6,6]	C[5]	4:3:3:	3:3:3:4:	3:4:1:	C[5,6,6]-4:C[5]-3:C[6]-3:	C[6,6a]-3:C[5,6]-3:N[5,6]-3:C[6]-4:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[5]C[5]H)(C[6]C[6]H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(C[6]C[6]HH)	C[5](C[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[5]C[5]H)(C[6]C[6]H){2|C<3>,2|C<4>,5|H<1>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(C[6]C[6]HH){1|C<4>,1|O<2>,3|C<3>,8|H<1>}	C[5](C[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H){1|H<1>,2|C<3>,2|C<4>}	111.1710	0.430	3	111.1710	0.185	3	111.1710	0.185	3	111.1710	0.185	3	109.6351	3.920	35	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6,6]	C[5]	4:3:3:	3:3:4:1:	3:4:3:	C[5,6,6]-4:C[6,6a]-3:C[5]-3:	C[5,6]-3:N[5,6]-3:C[6,6]-4:H-1:	C[5,6]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]C[6a])	C[5,6,6](C[5,6]C[6,6a]C[5])(N[5,6]C[5,6]C[6])(C[6,6]C[6]2H)(H)	C[5](C[5,6]C[5,6,6]C[6,6a])(C[5,6]N[5,6]C[6]2)(C[6a]C[6a]2)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]C[6a]){2|C<4>,2|H<1>,7|C<3>}	C[5,6,6](C[5,6]C[6,6a]C[5])(N[5,6]C[5,6]C[6])(C[6,6]C[6]2H)(H){1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[5](C[5,6]C[5,6,6]C[6,6a])(C[5,6]N[5,6]C[6]2)(C[6a]C[6a]2){1|C<4>,5|H<1>,7|C<3>}	110.8615	0.026	2	110.8615	0.001	2	110.8615	0.001	2	110.8615	0.001	2	109.6351	3.920	35	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6,6]	C[5]	4:3:3:	3:4:4:4:	3:2:1:	C[5,6,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H)	C[5,6,6](C[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH)	C[5](C[5,6]C[5,6,6]C[6])(O[5]C[5])(O)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H){1|O<2>,3|C<4>,6|H<1>}	C[5,6,6](C[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH){1|O<1>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6,6]C[6])(O[5]C[5])(O){3|C<4>,3|H<1>}	106.3080	0.000	1	106.6385	0.218	2	106.6385	0.218	2	106.6385	0.218	2	109.6351	3.920	35	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6,6]	C[5]	4:3:3:	3:4:4:4:	3:2:1:	C[5,6,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H)	C[5,6,6](C[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH)	C[5](C[5,6]C[5,6,6]C[6])(O[5]C[5])(O)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H){3|C<4>,7|H<1>}	C[5,6,6](C[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH){1|O<1>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6,6]C[6])(O[5]C[5])(O){3|C<4>,3|H<1>}	106.9690	0.000	1	106.6385	0.218	2	106.6385	0.218	2	106.6385	0.218	2	109.6351	3.920	35	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6,6]	C[5]	4:3:3:	4:3:3:3:	3:3:3:	C[5,6,6]-4:C[6,6a]-3:C[5]-3:	C[5,6]-4:C[5,6]-3:C[6,6]-3:C[6a]-3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6a])(C[6,6a]C[6,6a,6a]C[6a])(C[5]C[6a]C[5])	C[5,6,6](C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[6,6a]C[5])(C[6,6]C[6,6a]C[6])(C[6a]C[6a]2)	C[5](C[5,6]C[5,6,6]C[6,6a])(C[5]C[5,6]O)(C[6a]C[6a]2)	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6a])(C[6,6a]C[6,6a,6a]C[6a])(C[5]C[6a]C[5]){10|C<3>,1|H<1>,1|O<1>}	C[5,6,6](C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[6,6a]C[5])(C[6,6]C[6,6a]C[6])(C[6a]C[6a]2){11|C<3>,1|O<1>,2|H<1>}	C[5](C[5,6]C[5,6,6]C[6,6a])(C[5]C[5,6]O)(C[6a]C[6a]2){2|H<1>,8|C<3>}	113.0635	0.131	2	113.0635	0.017	2	113.0635	0.017	2	113.0635	0.017	2	109.6351	3.920	35	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6,6]	C[5]	4:3:3:	4:3:4:2:	3:3:1:	C[5,6,6]-4:C[5]-3:C[6]-3:	C[6,6]-4:C[5,6]-3:C[6]-4:O[5]-2:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]H)(C[6]C[6]H)	C[5,6,6](C[6,6]C[6,6]HH)(C[5,6]C[5]C[6])(C[6]C[5,6]HO)(O[5]C[5])	C[5](C[5,6]C[5,6,6]C[6])(C[5]O[5]O)(H)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]H)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5,6,6](C[6,6]C[6,6]HH)(C[5,6]C[5]C[6])(C[6]C[5,6]HO)(O[5]C[5]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6])(C[5]O[5]O)(H){1|C<3>,1|H<1>,2|C<4>}	109.0400	0.000	1	109.0400	0.000	1	109.0400	0.000	1	109.0400	0.000	1	109.6351	3.920	35	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6,6]	C[5]	4:3:3:	4:3:4:4:	3:2:1:	C[5,6,6]-4:C[5]-3:C[6]-3:	C[3,6,6]-4:C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6,6]C[3,6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H)	C[5,6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH)	C[5](C[5,6]C[5,6,6]C[6])(O[5]C[5])(O)	C[5,6](C[5,6,6]C[3,6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H){2|O<2>,3|C<4>,5|H<1>}	C[5,6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH){1|O<1>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6])(O[5]C[5])(O){3|C<4>,3|H<1>}	106.9650	0.000	1	106.9650	0.000	1	106.9650	0.000	1	107.2342	0.385	5	109.6351	3.920	35	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6,6]	C[5]	4:3:3:	4:3:4:4:	3:2:1:	C[5,6,6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6]-3:C[6,6]-4:C-4:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]O[5]O)(C[6]C[6]H)	C[5,6,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6])(C[6,6]C[6]2H)(CH3)	C[5](C[5,6]C[5,6,6]C[6])(O[5]C[5,6])(O)	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]O[5]O)(C[6]C[6]H){1|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6])(C[6,6]C[6]2H)(CH3){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6,6]C[6])(O[5]C[5,6])(O){1|C<3>,2|H<1>,3|C<4>}	107.5605	0.162	2	107.5605	0.026	2	107.5605	0.026	2	107.2342	0.385	5	109.6351	3.920	35	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6,6]	C[5]	4:3:3:	4:3:4:4:	3:2:1:	C[5,6,6]-4:C[5]-3:C[6]-3:	C[6,6]-4:C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H)	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)	C[5](C[5,6]C[5,6,6]C[6])(O[5]C[5])(O)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H){1|O<2>,3|C<4>,6|H<1>}	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6,6]C[6])(O[5]C[5])(O){3|C<4>,3|H<1>}	106.2830	0.000	1	106.2830	0.000	1	107.0425	1.154	2	107.2342	0.385	5	109.6351	3.920	35	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6,6]	C[5]	4:3:3:	4:3:4:4:	3:2:1:	C[5,6,6]-4:C[5]-3:C[6]-3:	C[6,6]-4:C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH)	C[5](C[5,6]C[5,6,6]C[6])(O[5]C[5])(O)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H){1|O<2>,3|C<4>,6|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH){1|O<1>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6,6]C[6])(O[5]C[5])(O){3|C<4>,3|H<1>}	107.8020	0.000	1	107.8020	0.000	1	107.0425	1.154	2	107.2342	0.385	5	109.6351	3.920	35	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6,6]	C[5]	4:3:4:	3:2:4:3:	3:4:1:	C[5,6,6]-4:C[5]-3:C[6]-4:	C[5,6]-3:O[5,6]-2:C[6]-4:C[6]-3:	C[5,6]-3:C[5,6]-4:H-1:	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]H)(C[6]C[6]HO)	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[5](C[5,6]C[5,6,6]C[6])(C[5,6]O[5,6]C[6]H)(H)	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]H)(C[6]C[6]HO){1|Br<1>,1|C<4>,2|C<3>,5|H<1>}	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[5](C[5,6]C[5,6,6]C[6])(C[5,6]O[5,6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	107.6240	0.000	1	107.6240	0.000	1	107.6240	0.000	1	107.6240	0.000	1	109.6351	3.920	35	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6,6]	C[5]	4:3:4:	3:3:2:4:	3:4:1:	C[5,6,6]-4:C[5]-3:C[6]-4:	C[5a,6]-3:C[5,6]-3:O[5,6]-2:C[6]-4:	C[5,6]-3:C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5a,6]O[5,6]C[6])(C[5]C[5,6]H)(C[6]C[6]HO)	C[5,6,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)	C[5](C[5,6]C[5,6,6]C[6])(C[5,6]O[5,6]C[6]H)(H)	C[5,6](C[5,6,6]C[5a,6]O[5,6]C[6])(C[5]C[5,6]H)(C[6]C[6]HO){2|C<3>,2|C<4>,5|H<1>}	C[5,6,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5](C[5,6]C[5,6,6]C[6])(C[5,6]O[5,6]C[6]H)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	108.2290	0.000	1	108.2290	0.000	1	108.2290	0.000	1	108.2290	0.000	1	109.6351	3.920	35	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6,6]	C[5]	4:3:4:	3:3:2:4:	4:3:1:	C[5,6,6]-4:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-3:O[5,6]-2:C[6]-4:	C[5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]H)(C[6]O[6]HH)	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[5](C[5,6]C[6,6a]O[5,6]H)(C[5,6]C[5,6,6]C[6])(H)	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]H)(C[6]O[6]HH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	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[5](C[5,6]C[6,6a]O[5,6]H)(C[5,6]C[5,6,6]C[6])(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	107.7730	0.000	1	107.7730	0.000	1	107.7730	0.000	1	107.7730	0.000	1	109.6351	3.920	35	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6,6]	C[5]	4:3:4:	3:3:3:4:	3:3:3:	C[5,6,6]-4:C[5]-3:C[6]-4:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:C[6,6]-4:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6](C[5,6,6]C[5,6a]C[6,6a]C[6,6])(C[5]C[5,6a]C[6a])(C[6]N[6]HH)	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[6,6]C[6]2H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]C[6])(C[6a]C[6a]2)	C[5,6](C[5,6,6]C[5,6a]C[6,6a]C[6,6])(C[5]C[5,6a]C[6a])(C[6]N[6]HH){1|H<1>,1|S<4>,2|C<4>,6|C<3>}	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[6,6]C[6]2H){2|N<3>,5|C<3>,8|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]C[6])(C[6a]C[6a]2){1|C<4>,1|N<3>,5|C<3>,5|H<1>}	111.7180	0.000	1	111.7180	0.000	1	111.7180	0.000	1	111.7180	0.000	1	109.6351	3.920	35	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6,6]	C[5]	4:3:4:	3:3:4:4:	3:3:1:	C[5,6,6]-4:C[5]-3:C[6]-4:	C[5,6a]-3:C[5,6]-3:C[6,6]-4:C[6]-4:	C[5,6a]-3:C[5,6]-3:Br-1:	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(C[5]C[5,6a]Br)(C[6]N[6]HH)	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]C[6])(Br)	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(C[5]C[5,6a]Br)(C[6]N[6]HH){1|O<2>,1|S<4>,2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH){2|Br<1>,1|C<4>,1|N<3>,2|C<3>,8|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]C[6])(Br){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	109.8370	0.000	1	109.8370	0.000	1	109.8370	0.000	1	109.8660	0.002	2	109.6351	3.920	35	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6,6]	C[5]	4:3:4:	3:3:4:4:	3:3:1:	C[5,6,6]-4:C[5]-3:C[6]-4:	C[5,6a]-3:C[5,6]-3:C[6,6]-4:C[6]-4:	C[5,6a]-3:C[5,6]-3:Cl-1:	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(C[5]C[5,6a]Cl)(C[6]N[6]HH)	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]C[6])(Cl)	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(C[5]C[5,6a]Cl)(C[6]N[6]HH){1|O<2>,1|S<4>,2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH){2|Cl<1>,1|C<4>,1|N<3>,2|C<3>,8|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]C[6])(Cl){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	109.8950	0.000	1	109.8950	0.000	1	109.8950	0.000	1	109.8660	0.002	2	109.6351	3.920	35	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6,6]	C[5]	4:3:4:	4:3:2:4:	4:3:1:	C[5,6,6]-4:C[5]-3:C[6]-4:	C[6,6]-4:C[5,6]-3:O[5,6]-2:C[6]-4:	C[5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]H)(C[6]C[6]HH)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]CH)	C[5](C[5,6]C[6,6]O[5,6]C[6a])(C[5,6]C[5,6,6]C[6])(H)	C[5,6](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]H)(C[6]C[6]HH){2|C<3>,4|C<4>,4|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]CH){1|C<3>,1|O<1>,3|C<4>,7|H<1>}	C[5](C[5,6]C[6,6]O[5,6]C[6a])(C[5,6]C[5,6,6]C[6])(H){3|C<3>,3|H<1>,4|C<4>}	107.7510	0.000	1	107.7510	0.000	1	107.7510	0.000	1	107.7510	0.000	1	109.6351	3.920	35	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6,6]	C[5]	4:4:3:	3:3:4:3:	3:4:1:	C[5,6,6]-4:C[6,6]-4:C[5]-3:	C[5,6]-3:C[5,6]-3:C[6]-4:C[6]-3:	C[5,6]-3:C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]H)	C[5,6,6](C[5,6]C[6,6]C[5])(C[5,6]C[5,6]O)(C[6]C[6]HH)(C[6]C[6]O)	C[5](C[5,6]C[5,6,6]C[6,6])(C[5,6]C[5,6]C[6]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]H){2|C<3>,2|O<1>,3|C<4>,6|H<1>}	C[5,6,6](C[5,6]C[6,6]C[5])(C[5,6]C[5,6]O)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6,6]C[6,6])(C[5,6]C[5,6]C[6]H)(H){1|Si<4>,1|O<1>,2|C<3>,4|C<4>}	110.1450	0.000	1	110.1450	0.000	1	110.1450	0.000	1	110.1450	0.000	1	109.6351	3.920	35	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6,6]	C[5]	4:4:3:	3:4:3:2:	3:3:4:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[6,6]-3:C[6,6]-4:C[5,6]-3:O[5]-2:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[5,6,6]C[6,6]2O[5])(C[6]C[5,6]HO)(C[5]C[5]C)	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[5](C[5,6]C[5,6,6]C[6])(C[5]O[5]O)(CH3)	C[5,6](C[5,6,6]C[6,6]2O[5])(C[6]C[5,6]HO)(C[5]C[5]C){1|O<1>,2|C<4>,2|H<1>,3|C<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]){1|O<1>,1|O<2>,2|C<3>,3|H<1>,6|C<4>}	C[5](C[5,6]C[5,6,6]C[6])(C[5]O[5]O)(CH3){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	109.3950	0.000	1	109.3950	0.000	1	109.3950	0.000	1	109.3950	0.000	1	109.6351	3.920	35	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6,6]	C[5]	4:4:3:	3:4:3:3:	3:3:1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[6,6a]-3:C[5,6]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]O)(H)	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,7|H<1>}	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]O)(H){2|C<3>,2|C<4>,3|H<1>}	113.0870	0.000	1	113.0870	0.000	1	113.0870	0.000	1	112.0400	2.192	2	109.6351	3.920	35	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6,6]	C[5]	4:4:3:	3:4:3:3:	3:3:1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[6,6a]-3:C[6,6]-4:C[5,6]-3:N[5]-3:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[5,6,6]C[6,6a]C[6,6]N[5])(C[6]C[6,6a]HH)(C[5]C[5]H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6])(N[5]C[5]C)	C[5](C[5,6]C[5,6,6]C[6])(C[5]N[5]O)(H)	C[5,6](C[5,6,6]C[6,6a]C[6,6]N[5])(C[6]C[6,6a]HH)(C[5]C[5]H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6])(N[5]C[5]C){1|O<1>,5|C<3>,5|H<1>}	C[5](C[5,6]C[5,6,6]C[6])(C[5]N[5]O)(H){2|C<3>,2|C<4>,2|H<1>}	110.9930	0.000	1	110.9930	0.000	1	110.9930	0.000	1	112.0400	2.192	2	109.6351	3.920	35	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6,6]	C[5]	4:4:3:	3:4:4:2:	3:3:1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[6]HH)(C[5]C[5]H)	C[5,6,6](C[5,6]C[5]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(O[5]C[5])	C[5](C[5,6]C[5,6,6]C[6])(C[5]O[5]O)(H)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[6]HH)(C[5]C[5]H){1|O<1>,4|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,2|C<4>,9|H<1>}	C[5](C[5,6]C[5,6,6]C[6])(C[5]O[5]O)(H){2|H<1>,3|C<4>}	109.4580	0.000	1	109.4580	0.000	1	109.4580	0.000	1	109.4580	0.000	1	109.6351	3.920	35	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6,6]	C[5]	4:4:3:	4:3:3:1:	3:3:1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6]-3:C[6,6]-3:H-1:	C[5,6]-3:N[5]-3:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]N[5]H)	C[5,6,6](C[5,6]C[6]N[5]H)(C[5,6]C[5]C[6])(C[6,6]C[6]2)(H)	C[5](C[5,6]C[5,6,6]C[6])(N[5]C[5,6]S)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]N[5]H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[5,6,6](C[5,6]C[6]N[5]H)(C[5,6]C[5]C[6])(C[6,6]C[6]2)(H){1|C<3>,1|C<4>,1|S<4>,7|H<1>}	C[5](C[5,6]C[5,6,6]C[6])(N[5]C[5,6]S)(H){1|C<4>,2|C<3>,4|H<1>}	110.3260	0.000	1	110.3260	0.000	1	110.3260	0.000	1	110.3260	0.000	1	109.6351	3.920	35	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6,6]	C[5]	4:4:3:	4:3:3:3:	3:3:1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6]-3:C[6]-3:C[6]-3:	C[5,6]-3:C[5]-3:Cl-1:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(C[5]C[5]Cl)	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]Cl)(C[6]C[6]H)	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]O)(Cl)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(C[5]C[5]Cl){1|Cl<1>,1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]Cl)(C[6]C[6]H){1|Cl<1>,1|O<1>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]O)(Cl){2|C<3>,2|C<4>,3|H<1>}	111.1040	0.000	1	111.1040	0.000	1	111.1040	0.000	1	111.1040	0.000	1	109.6351	3.920	35	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6,6]	C[5]	4:4:3:	4:3:4:1:	3:3:2:	C[5,6,6]-4:P[6]-4:C[5]-3:	C[5,6]-4:C[5,6]-3:C[6,6]-4:H-1:	C[5,6]-3:C[6a]-3:O[5]-2:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(P[6]C[6a]2C[6])(C[5]C[6a]O[5])	C[5,6,6](C[5,6]C[6a]O[5]O[6])(C[5,6]C[5]P[6])(C[6,6]C[6]2H)(H)	C[5](C[5,6]C[5,6,6]P[6])(C[6a]C[6a]2)(O[5]C[5,6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(P[6]C[6a]2C[6])(C[5]C[6a]O[5]){1|O<2>,2|C<4>,3|H<1>,7|C<3>}	C[5,6,6](C[5,6]C[6a]O[5]O[6])(C[5,6]C[5]P[6])(C[6,6]C[6]2H)(H){1|B<4>,1|C<4>,4|H<1>,5|C<3>}	C[5](C[5,6]C[5,6,6]P[6])(C[6a]C[6a]2)(O[5]C[5,6]){1|O<2>,2|C<4>,3|H<1>,5|C<3>}	108.1420	0.000	1	108.1420	0.000	1	108.1420	0.000	1	108.1420	0.000	1	109.6351	3.920	35	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6,6]	C[5]	4:4:3:	4:3:4:2:	3:3:4:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[6,6]-4:C[5,6]-3:C[6]-4:O[5]-2:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[5,6]HH)(C[5]C[5]C)	C[5,6,6](C[6,6]C[5,6]O[6]H)(C[5,6]C[5]C[6])(C[6]C[6]CH)(O[5]C[5])	C[5](C[5,6]C[5,6,6]C[6])(C[5]O[5]O)(CH3)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[5,6]HH)(C[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[6,6]C[5,6]O[6]H)(C[5,6]C[5]C[6])(C[6]C[6]CH)(O[5]C[5]){1|O<1>,1|O<2>,2|H<1>,6|C<4>}	C[5](C[5,6]C[5,6,6]C[6])(C[5]O[5]O)(CH3){2|H<1>,3|C<4>}	109.9450	0.000	1	109.9450	0.000	1	109.9450	0.000	1	109.9450	0.000	1	109.6351	3.920	35	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6,6]	C[5]	4:4:3:	4:3:4:3:	3:3:1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6]-3:C[6]-4:C[6]-3:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]CC)(C[5]C[5]H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]O)(H)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]CC)(C[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]O)(H){1|H<1>,3|C<3>,3|C<4>}	111.5590	0.000	1	111.5590	0.000	1	111.5590	0.000	1	111.5590	0.000	1	109.6351	3.920	35	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,5]	3:3:4:	3:4:4:1:	3:4:3:	C[6,6a]-3:C[5,5]-3:C[5,6]-4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[5,5]-4:C[5]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)	C[5,6](C[5,6]C[6,6a]C[5,5])(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	C[5,5](C[5,6]C[6,6a]C[5,6])(C[5,5]C[5]2H)(C[5]N[5]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,6|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,5])(C[5]C[5,5]HH)(C[6]C[6]HH)(H){3|H<1>,4|C<3>}	C[5,5](C[5,6]C[6,6a]C[5,6])(C[5,5]C[5]2H)(C[5]N[5]O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	108.2830	0.000	1	108.2830	0.000	1	108.2830	0.000	1	108.2830	0.000	1	108.2830	0.000	1	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	3:3:4:	3:3:4:1:	3:3:4:	C[5,6]-3:C[6,6a]-3:C[5,6]-4:	C[5,6a]-3:C[5,6]-3:C[6]-4:H-1:	C[5,6,6a]-3:C[5,6]-3:C[6]-4:	C[5,6](C[5,6]C[5,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HH)(H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HH)	C[5,6](C[5,6]C[5,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H){2|C<4>,4|C<3>,5|H<1>}	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HH){2|C<4>,3|H<1>,4|C<3>}	110.4500	0.000	1	110.4500	0.000	1	110.0615	0.219	6	110.0615	0.219	6	110.6569	2.778	22	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	3:3:4:	3:3:4:1:	3:3:4:	C[5,6]-3:C[6,6a]-3:C[5,6]-4:	C[5,6a]-3:C[5,6]-3:C[6]-4:H-1:	C[5,6,6a]-3:C[5,6]-3:C[6]-4:	C[5,6](C[5,6]C[5,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HH)(H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HO)	C[5,6](C[5,6]C[5,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HO){2|C<4>,3|H<1>,4|C<3>}	109.8478	0.425	4	109.8478	0.181	4	110.0615	0.219	6	110.0615	0.219	6	110.6569	2.778	22	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	3:3:4:	3:3:4:1:	3:3:4:	C[5,6]-3:C[6,6a]-3:C[5,6]-4:	C[5,6a]-3:C[5,6]-3:C[6]-4:H-1:	C[5,6,6a]-3:C[5,6]-3:C[6]-4:	C[5,6](C[5,6]C[5,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HO)(H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HH)	C[5,6](C[5,6]C[5,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HH){1|C<4>,3|H<1>,5|C<3>}	110.5280	0.000	1	110.5280	0.000	1	110.0615	0.219	6	110.0615	0.219	6	110.6569	2.778	22	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	3:4:3:	3:4:3:4:	3:3:3:	C[5,6]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[6,6a]-3:C[5,6]-3:C[5,6]-3:	C[5,6](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]C)(C[6]C[6,6a]O)	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6,6a]O)(CH3)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]C)(C[6]C[6,6a]O){1|O<1>,2|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6,6a]O)(CH3){1|O<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]){1|Br<1>,1|C<4>,1|O<1>,3|H<1>,5|C<3>}	112.2590	0.000	1	112.2590	0.000	1	112.2590	0.000	1	110.6240	5.346	2	110.6569	2.778	22	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	3:4:3:	3:4:3:4:	3:3:3:	C[5,6]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	N[5,6]-3:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]N[5,6]C[6])(C[5,6]C[5]C[6]C)(C[6]C[6,6]H)	C[5,6](C[5,6]C[5,6]C[6])(C[6]C[6,6]HH)(C[5]N[5,6]O)(CH3)	C[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5,6]C[6])(C[6]C[6]H)	C[5,6](C[5,6]N[5,6]C[6])(C[5,6]C[5]C[6]C)(C[6]C[6,6]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6])(C[6]C[6,6]HH)(C[5]N[5,6]O)(CH3){1|C<4>,2|H<1>,3|C<3>}	C[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5,6]C[6])(C[6]C[6]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	108.9890	0.000	1	108.9890	0.000	1	108.9890	0.000	1	110.6240	5.346	2	110.6569	2.778	22	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	3:4:3:	3:4:4:1:	3:3:4:	C[6,6a]-3:C[5,6]-4:C[5,6]-3:	C[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6a]C[5,6])(C[5]C[5,6]O)(C[6]C[6]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,6])(C[5]C[5,6]O)(C[6]C[6]HH){2|C<3>,3|C<4>,3|H<1>}	111.9230	0.000	1	111.9230	0.000	1	111.9230	0.000	1	111.9230	0.000	1	110.6569	2.778	22	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	3:4:3:	4:3:3:4:	3:3:3:	C[5,6]-3:C[5,6]-4:C[6]-3:	C[6]-4:C[5,6]-3:C[5]-3:C-4:	N[5,6]-3:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]N[5,6]C[6])(C[5,6]C[5]C[6]C)(C[6]C[6,6]H)	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5,6]C[6])(C[5]N[5,6]O)(CH3)	C[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5,6]C[6])(C[6]C[6]H)	C[5,6](C[5,6]N[5,6]C[6])(C[5,6]C[5]C[6]C)(C[6]C[6,6]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5,6]C[6])(C[5]N[5,6]O)(CH3){1|C<4>,2|H<1>,5|C<3>}	C[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5,6]C[6])(C[6]C[6]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	109.5260	0.000	1	109.5260	0.000	1	109.5260	0.000	1	109.5260	0.000	1	110.6569	2.778	22	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	3:4:4:	3:4:2:1:	4:3:4:	C[5,6]-3:C[5,6]-4:C[6]-4:	C[5,6]-3:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-3:C[6]-4:	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]O[6]H)(C[6]C[6]CH)	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(O[6]C[6])(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5,6]C[6])(C[6]C[6]HH)	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]O[6]H)(C[6]C[6]CH){4|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(O[6]C[6])(H){2|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5,6]C[6])(C[6]C[6]HH){2|O<2>,5|C<4>,5|H<1>}	110.6730	0.000	1	110.6730	0.000	1	110.6730	0.000	1	110.6730	0.000	1	110.6569	2.778	22	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	4:3:2:	3:3:3:3:	3:3:3:	C[5,6]-4:C[5,6]-3:C[6]-2:	C[5a,6]-3:C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6](C[5,6]C[5a,6]C[5]C[6])(C[5,6]C[6]N[5])(C[6]C[6])	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[6])(C[5]N[5]O)(C[6]C[6]C)	C[5,6](C[5,6]C[5,6]C[6])(C[6]C[6]H)(N[5]C[5]H)	C[5,6](C[5,6]C[5a,6]C[5]C[6])(C[5,6]C[6]N[5])(C[6]C[6]){1|C<2>,1|I<1>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[6])(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|N<3>}	C[5,6](C[5,6]C[5,6]C[6])(C[6]C[6]H)(N[5]C[5]H){1|H<1>,1|O<1>,3|C<3>}	108.9510	0.000	1	108.9510	0.000	1	108.9510	0.000	1	108.9510	0.000	1	110.6569	2.778	22	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	4:3:3:	3:3:3:3:	3:3:4:	C[5,6]-4:C[5,6]-3:C[6]-3:	C[6,6a]-3:C[5,6]-3:C[5,6]-3:C[5]-3:	C[5,6]-3:N[5]-3:C[6]-4:	C[5,6](C[5,6]C[6,6a]C[5,6]C[5])(C[5,6]C[6]N[5])(C[6]C[6]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5,6]C[5,6]C[6])(C[5]N[5]O)	C[5,6](C[5,6]C[5,6]C[6])(N[5]C[6a]C[5])(C[6]C[6]HH)	C[5,6](C[5,6]C[6,6a]C[5,6]C[5])(C[5,6]C[6]N[5])(C[6]C[6]O){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5,6]C[5,6]C[6])(C[5]N[5]O){1|H<1>,1|N<3>,2|C<4>,2|O<1>,5|C<3>}	C[5,6](C[5,6]C[5,6]C[6])(N[5]C[6a]C[5])(C[6]C[6]HH){2|O<1>,3|C<4>,4|C<3>}	110.8950	0.000	1	110.8950	0.000	1	110.8950	0.000	1	110.7865	0.024	2	110.6569	2.778	22	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	4:3:3:	3:3:3:3:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[5,6]-3:	C[5,6]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6](C[5,6]C[6,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]C)(C[6]C[6]O)	C[5,6](C[5,6]C[6,6a]C[5,6])(C[5]C[5]N[6])(C[6]S[6]HH)	C[5,6](C[5,6]C[6,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]){1|C<2>,1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]C)(C[6]C[6]O){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,6])(C[5]C[5]N[6])(C[6]S[6]HH){1|C<2>,2|C<4>,4|C<3>}	110.6780	0.000	1	110.6780	0.000	1	110.6780	0.000	1	110.7865	0.024	2	110.6569	2.778	22	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	4:3:3:	3:4:4:1:	3:2:3:	C[5,6]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-3:O[5]-2:C[6]-3:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5])(C[6]C[6]O)	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[6]O[5]H)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5,6]C[6])(O[5]C[5,6])(C[6]C[6]C)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5])(C[6]C[6]O){2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[6]O[5]H)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5,6]C[6])(O[5]C[5,6])(C[6]C[6]C){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	108.0500	0.000	1	108.0500	0.000	1	108.0500	0.000	1	108.0500	0.000	1	110.6569	2.778	22	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	4:3:3:	3:4:4:4:	3:4:3:	C[5,6]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6])(C[6]C[6]O)	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HO)(C[6]C[6]O)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6])(C[6]C[6]O){1|C<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HO)(C[6]C[6]O){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	111.9070	0.636	2	111.9070	0.405	2	111.9070	0.405	2	111.9070	0.405	2	110.6569	2.778	22	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	4:3:3:	4:3:3:4:	3:4:3:	C[5,6]-4:C[5,6]-3:C[6]-3:	C[5,6]-4:C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]C[5]C[6])(C[5,6]C[5]C[6])(C[6]C[5,6]C)	C[5,6](C[5,6]C[5,6,6]C[5]C)(C[5,6]C[5,6]C[6])(C[6]C[6,6]O)(C[5]C[5]HH)	C[5,6](C[5,6]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]H)	C[5,6](C[5,6]C[5,6]C[5]C[6])(C[5,6]C[5]C[6])(C[6]C[5,6]C){1|C<3>,1|O<1>,5|H<1>,6|C<4>}	C[5,6](C[5,6]C[5,6,6]C[5]C)(C[5,6]C[5,6]C[6])(C[6]C[6,6]O)(C[5]C[5]HH){1|N<3>,4|H<1>,7|C<4>}	C[5,6](C[5,6]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]H){1|C<3>,3|C<4>,4|H<1>}	108.2870	0.000	1	108.2870	0.000	1	108.2870	0.000	1	108.2870	0.000	1	110.6569	2.778	22	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	4:3:4:	3:3:4:4:	3:3:4:	C[5,6]-4:C[5,6]-3:C[6]-4:	C[6,6a]-3:C[5,6]-3:C[5,6]-4:C-4:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6](C[5,6]C[6,6a]C[5,6]C)(C[5,6]C[5]C[6])(C[6]C[6]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(CCHH)	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]O)(C[6]C[6]HH)	C[5,6](C[5,6]C[6,6a]C[5,6]C)(C[5,6]C[5]C[6])(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(CCHH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]O)(C[6]C[6]HH){1|C<3>,3|C<4>,5|H<1>}	114.1440	0.000	1	114.1440	0.000	1	114.1440	0.000	1	114.1440	0.000	1	110.6569	2.778	22	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	4:3:4:	3:4:4:4:	3:3:4:	C[5,6]-4:C[5,6]-3:C[6]-4:	C[5,6]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6])(C[6]C[6]HH)	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(CHHO)	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]O)(C[6]C[6]HH)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6])(C[6]C[6]HH){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(CHHO){1|O<1>,4|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]O)(C[6]C[6]HH){3|H<1>,6|C<4>}	110.5240	0.000	1	110.5240	0.000	1	110.5240	0.000	1	110.5240	0.000	1	110.6569	2.778	22	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	4:3:4:	3:4:4:4:	3:4:4:	C[5,6]-4:C[5,6]-3:C[6]-4:	C[5,6]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6])(C[6]C[3,6]HH)	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CCl2H)	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[3,6]HH)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6])(C[6]C[3,6]HH){1|O<2>,4|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CCl2H){3|C<4>,8|H<1>}	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[3,6]HH){4|H<1>,5|C<4>}	110.7390	0.000	1	110.7390	0.000	1	110.7390	0.000	1	110.7390	0.000	1	110.6569	2.778	22	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	4:3:4:	4:3:4:4:	3:4:4:	C[5,6]-4:C[5,6]-3:C[6]-4:	C[6,6]-4:C[5,6]-3:C[5]-4:C-4:	C[5,6]-3:C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5,6]C[6])(C[6]C[6]HH)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(CH3)	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]O[6]H)(C[6]C[6]CH)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5,6]C[6])(C[6]C[6]HH){2|O<2>,5|C<4>,5|H<1>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(CH3){1|O<2>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]O[6]H)(C[6]C[6]CH){4|C<4>,6|H<1>}	114.6310	0.000	1	114.6310	0.000	1	114.6310	0.000	1	114.6310	0.000	1	110.6569	2.778	22	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	3:4:3:	3:3:2:4:	3:3:3:	C[6,6]-3:C[5,6]-4:C[5]-3:	C[5,6]-3:C[6]-3:O[5]-2:C-4:	C[5,6]-3:C[5]-3:C-3:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]C)(C[5]C[5]C)	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]O)(O[5]C[5])(CH3)	C[5](C[5,6]C[5,6]C[6,6])(C[5]O[5]O)(CCO)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]C)(C[5]C[5]C){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	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[5](C[5,6]C[5,6]C[6,6])(C[5]O[5]O)(CCO){1|C<4>,3|C<3>}	109.0060	0.123	2	109.0060	0.015	2	109.0060	0.015	2	109.7770	0.836	4	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	3:4:3:	3:3:2:4:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6a]-3:C[5,6]-3:O[6]-2:C-4:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]O[6]C)(C[5]C[5,6a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(O[6]C[6])(CH3)	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]O[6]C)(C[5]C[5,6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(O[6]C[6])(CH3){3|H<1>,5|C<3>}	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,6|C<3>}	110.7890	0.000	1	110.7890	0.000	1	110.7890	0.000	1	109.7770	0.836	4	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	3:4:3:	3:3:2:4:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6a]-3:C[5,6]-3:O[6]-2:C-4:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]O[6]C)(C[5]C[5,6a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(O[6]C[6])(CH3)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]O[6]C)(C[5]C[5,6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(O[6]C[6])(CH3){3|H<1>,5|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2){1|C<4>,1|O<2>,2|H<1>,7|C<3>}	110.3070	0.000	1	110.3070	0.000	1	110.3070	0.000	1	109.7770	0.836	4	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6a]-3:C[5,6]-3:C[6]-4:H-1:	C[5,6]-3:C[5,6a]-3:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6]C[6a]O[6]H)(H)	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]H){1|O<2>,2|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6]C[6a]O[6]H)(H){2|H<1>,6|C<3>}	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	110.7200	0.000	1	110.7200	0.000	1	110.7200	0.000	1	110.7200	0.000	1	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	3:4:3:	3:3:4:3:	3:4:1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-3:N[5]-3:C[6]-4:C-3:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]C)(C[5]C[5]H)	C[5,6](C[5,6]C[6,6a]C[5])(N[5]C[6a]C[5])(C[6]N[6]HH)(CHO)	C[5](C[5,6]C[6,6a]C[5,6])(C[5]C[6a]N[5]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]C)(C[5]C[5]H){1|N<3>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]C[5])(N[5]C[6a]C[5])(C[6]N[6]HH)(CHO){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,6]C[6,6a]C[5,6])(C[5]C[6a]N[5]H)(H){1|C<4>,6|C<3>}	109.9030	0.000	1	109.9030	0.000	1	109.9030	0.000	1	109.9030	0.000	1	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	3:4:3:	3:4:2:4:	3:3:2:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-3:C[5]-4:O[6]-2:C-4:	C[5,6]-3:C[5]-3:O-2:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]C)(C[5]C[5]O)	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(O[6]C[6])(CH3)	C[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]O)(OH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]C)(C[5]C[5]O){1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(O[6]C[6])(CH3){1|O<2>,2|C<3>,2|O<1>}	C[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]O)(OH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	111.4610	0.000	1	111.4610	0.000	1	111.4610	0.000	1	111.4610	0.000	1	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	3:4:3:	3:4:3:1:	3:2:1:	C[6,6]-3:C[5,6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]O[5]O)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]O[5]H)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(O)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]O[5]O){1|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]O[5]H)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(O){1|C<3>,2|H<1>,3|C<4>}	106.4140	0.636	2	106.4140	0.405	2	106.4140	0.405	2	106.4140	0.405	2	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	3:4:3:	3:4:3:1:	3:3:4:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-3:C[6]-4:N[5]-3:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[6,6a]C[5a,6,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]C)	C[5,6](C[5,6]C[6,6a]C[5])(C[6]C[5a,6]HH)(N[5]C[5]C)(H)	C[5](C[5,6]C[6,6a]C[5,6])(C[5]N[5]O)(CH3)	C[5,6](C[6,6a]C[5a,6,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]C){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5])(C[6]C[5a,6]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,3|C<3>}	C[5](C[5,6]C[6,6a]C[5,6])(C[5]N[5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	109.3680	0.000	1	109.3680	0.000	1	109.3680	0.000	1	109.3680	0.000	1	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	3:4:3:	3:4:3:4:	3:3:2:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5,6]-3:C[6a]-3:S[5]-2:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]S[5])	C[5,6](C[5,6]C[6,6a]C[5])(C[5]S[5]HH)(C[6]N[6]O)(CH3)	C[5](C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(S[5]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]S[5]){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]S[5]HH)(C[6]N[6]O)(CH3){1|C<4>,3|C<3>}	C[5](C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(S[5]C[5]){1|C<4>,4|H<1>,5|C<3>}	114.3480	0.000	1	114.3480	0.000	1	114.3480	0.000	1	114.3480	0.000	1	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	3:4:3:	3:4:3:4:	3:3:4:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5,6]-3:C[6a]-3:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]C[5])	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]N[6]O)(CH3)	C[5](C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]C[5]){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]N[6]O)(CH3){1|S<4>,2|C<4>,3|C<3>}	C[5](C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]CC){1|C<4>,4|H<1>,5|C<3>}	111.6320	0.000	1	111.6320	0.000	1	112.7097	0.947	3	112.7097	0.947	3	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	3:4:3:	3:4:3:4:	3:3:4:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5,6]-3:C[6a]-3:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]C[5])	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]N[6]O)(CH3)	C[5](C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]CF)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]C[5]){1|F<1>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]N[6]O)(CH3){1|F<1>,1|S<4>,4|C<3>}	C[5](C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]CF){1|C<4>,4|H<1>,5|C<3>}	113.2485	0.390	2	113.2485	0.152	2	112.7097	0.947	3	112.7097	0.947	3	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	3:4:3:	3:4:3:4:	3:4:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5,6]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5,6]C[6a])	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(CH3)	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5,6]C[6a]){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(CH3){1|S<4>,2|C<4>,3|C<3>}	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2){3|C<4>,5|C<3>,8|H<1>}	112.8700	0.000	1	112.4642	0.207	4	112.8038	0.732	5	112.8038	0.732	5	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	3:4:3:	3:4:3:4:	3:4:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5,6]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5,6]C[6a])	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(CH3)	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5,6]C[6a]){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(CH3){1|C<4>,5|C<3>}	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2){1|C<4>,6|H<1>,7|C<3>}	112.2290	0.584	2	112.4642	0.207	4	112.8038	0.732	5	112.8038	0.732	5	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	3:4:3:	3:4:3:4:	3:4:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5,6]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5,6]C[6a])	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(CH3)	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5,6]C[6a]){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(CH3){1|S<4>,5|C<3>}	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2){2|O<1>,3|C<4>,4|H<1>,5|C<3>}	112.5290	0.000	1	112.4642	0.207	4	112.8038	0.732	5	112.8038	0.732	5	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	3:4:3:	3:4:3:4:	3:4:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5,6]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5,6]C[6a])	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(CH3)	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]O[6])(C[6a]C[6a]2)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5,6]C[6a]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(CH3){1|C<4>,1|O<2>,1|S<4>,3|C<3>}	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]O[6])(C[6a]C[6a]2){1|C<4>,1|O<2>,6|C<3>,6|H<1>}	114.1620	0.000	1	114.1620	0.000	1	112.8038	0.732	5	112.8038	0.732	5	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	3:4:3:	3:4:4:1:	3:3:1:	N[5,6]-3:C[5,6]-4:C[5]-3:	C[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-3:C[5]-3:H-1:	C[5,6](N[5,6]C[5,3x6]C[5])(C[5,6]C[5]C[6]H)(C[5]C[5]H)	C[5,6](C[5,6]N[5,6]C[5])(C[6]C[4x6]HH)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]N[5,6])(C[5]C[5]O)(H)	C[5,6](N[5,6]C[5,3x6]C[5])(C[5,6]C[5]C[6]H)(C[5]C[5]H){1|O<1>,3|C<4>,7|H<1>}	C[5,6](C[5,6]N[5,6]C[5])(C[6]C[4x6]HH)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,4|C<4>}	C[5](C[5,6]C[5,6]N[5,6])(C[5]C[5]O)(H){3|C<4>,3|H<1>}	112.3820	0.000	1	112.3820	0.000	1	112.3820	0.000	1	111.8905	0.483	2	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	3:4:3:	3:4:4:1:	3:3:1:	N[6,6]-3:C[5,6]-4:C[5]-3:	C[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-3:C[5]-3:H-1:	C[5,6](N[6,6]C[3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[5]C[5]H)	C[5,6](C[5,6]N[6,6]C[5])(C[6]C[6,6]HH)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]N[6,6])(C[5]C[5]O)(H)	C[5,6](N[6,6]C[3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[5]C[5]H){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	C[5,6](C[5,6]N[6,6]C[5])(C[6]C[6,6]HH)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]N[6,6])(C[5]C[5]O)(H){3|C<4>,3|H<1>}	111.3990	0.000	1	111.3990	0.000	1	111.3990	0.000	1	111.8905	0.483	2	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	3:4:3:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5](C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]CH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,4|C<3>,5|H<1>}	113.1930	0.000	1	113.1930	0.000	1	113.1930	0.000	1	113.1930	0.000	1	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	3:4:3:	3:4:4:1:	3:3:4:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[5]-3:Si-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]Si)	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]O)(SiC3)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]Si){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|Si<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]O)(SiC3){1|C<4>,2|C<3>,3|H<1>}	114.0845	0.129	4	114.0845	0.017	4	114.0845	0.017	4	114.0845	0.017	4	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	3:4:3:	3:4:4:1:	3:4:1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[5,6]-4:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5,6]H)	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]CC)(C[6]C[6]HH)(H)	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]O[6]2)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5,6]H){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]CC)(C[6]C[6]HH)(H){2|C<3>,2|O<2>,3|H<1>}	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]O[6]2)(H){1|H<1>,3|C<3>,4|C<4>}	110.3660	0.000	1	110.3660	0.000	1	110.5385	0.060	2	111.2718	0.578	5	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	3:4:3:	3:4:4:1:	3:4:1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[5,6]-4:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5,6]H)	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]O[6]2)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5,6]H){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]CH)(C[6]C[6]HH)(H){2|C<3>,2|O<2>,3|H<1>}	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]O[6]2)(H){2|H<1>,3|C<3>,3|C<4>}	110.7110	0.000	1	110.7110	0.000	1	110.5385	0.060	2	111.2718	0.578	5	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	3:4:3:	3:4:4:1:	3:4:1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]CC)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H){5|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]CC)(H){1|C<4>,2|C<3>,3|H<1>}	111.4750	0.000	1	111.4750	0.000	1	111.7607	0.230	3	111.2718	0.578	5	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	3:4:3:	3:4:4:1:	3:4:1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]N[6]CH)(H)	C[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]CC)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]N[6]CH)(H){1|H<1>,1|S<4>,4|C<3>}	C[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]CC)(H){1|C<4>,2|C<3>,3|H<1>}	112.3140	0.000	1	112.3140	0.000	1	111.7607	0.230	3	111.2718	0.578	5	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	3:4:3:	3:4:4:1:	3:4:1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]S[6]HH)(H)	C[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]CC)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H){1|S<2>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]S[6]HH)(H){1|H<1>,4|C<3>}	C[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]CC)(H){1|C<4>,2|C<3>,3|H<1>}	111.4930	0.000	1	111.4930	0.000	1	111.7607	0.230	3	111.2718	0.578	5	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	3:4:3:	3:4:4:3:	3:4:1:	C[5,6]-3:C[5,6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:C-3:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(COO)	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(H){1|H<1>,2|C<3>,3|C<4>}	112.3570	0.000	1	112.3570	0.000	1	112.3570	0.000	1	112.3570	0.000	1	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	3:4:3:	3:4:4:4:	3:4:1:	C[6,6]-3:C[5,6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-3:C[5]-4:O-1:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]O)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(O)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]O){1|O<2>,4|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(O){1|H<1>,5|C<4>}	107.5310	0.000	1	107.5310	0.000	1	107.5310	0.000	1	107.5310	0.000	1	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	3:4:3:	4:3:3:1:	3:3:1:	C[6]-3:C[5,6]-4:C[5]-3:	C[6]-4:C[5,6]-3:C[5]-3:H-1:	C[5,6]-3:N[5]-3:O-1:	C[5,6](C[6]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)	C[5,6](C[6]C[6,6a]C[6a]2)(C[5,6]C[5]C[6])(C[5]N[5]O)(H)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(O)	C[5,6](C[6]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]O){1|C<4>,1|O<1>,6|C<3>}	C[5,6](C[6]C[6,6a]C[6a]2)(C[5,6]C[5]C[6])(C[5]N[5]O)(H){1|C<4>,1|O<1>,7|C<3>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	108.3540	0.000	1	108.3540	0.000	1	108.3540	0.000	1	108.3540	0.000	1	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	3:4:3:	4:3:4:1:	3:4:1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[3,5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-3:C[3,5]-4:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[3,5]C[6]H)(C[5]C[3,5]H)	C[5,6](C[3,5]C[3,5]C[3]C)(C[5,6]C[6,6a]C[5])(C[6]O[6]HH)(H)	C[5](C[5,6]C[6,6a]C[5,6])(C[3,5]C[3,5]C[3]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[3,5]C[6]H)(C[5]C[3,5]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[3,5]C[3,5]C[3]C)(C[5,6]C[6,6a]C[5])(C[6]O[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,6]C[6,6a]C[5,6])(C[3,5]C[3,5]C[3]H)(H){2|C<3>,2|H<1>,3|C<4>}	111.1145	0.346	2	111.1145	0.120	2	111.1767	0.071	3	111.1767	0.071	3	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	3:4:3:	4:3:4:1:	3:4:1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[3,5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-3:C[3,5]-4:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[3,5]C[6]H)(C[5]C[3,5]H)	C[5,6](C[3,5]C[3,5]C[6a]C[3])(C[5,6]C[6,6a]C[5])(C[6]O[6]HH)(H)	C[5](C[5,6]C[6,6a]C[5,6])(C[3,5]C[3,5]C[3]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[3,5]C[6]H)(C[5]C[3,5]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[3,5]C[3,5]C[6a]C[3])(C[5,6]C[6,6a]C[5])(C[6]O[6]HH)(H){4|C<3>,4|H<1>}	C[5](C[5,6]C[6,6a]C[5,6])(C[3,5]C[3,5]C[3]H)(H){1|C<4>,3|C<3>,3|H<1>}	111.3010	0.000	1	111.3010	0.000	1	111.1767	0.071	3	111.1767	0.071	3	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:2:3:	3:2:3:4:	3:3:4:	C[5,6]-4:Se[6]-2:C[5]-3:	C[5,6]-3:Se[6]-2:C[5]-3:C-4:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[5,6]Se[6]C[5]C)(Se[6]C[5,6])(C[5]C[5]C)	C[5,6](C[5,6]Se[6]C[5])(Se[6]C[5,6])(C[5]C[5]C)(CH3)	C[5](C[5,6]C[5,6]Se[6])(C[5]C[5]C)(CH3)	C[5,6](C[5,6]Se[6]C[5]C)(Se[6]C[5,6])(C[5]C[5]C){2|C<3>,3|C<4>}	C[5,6](C[5,6]Se[6]C[5])(Se[6]C[5,6])(C[5]C[5]C)(CH3){1|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]Se[6])(C[5]C[5]C)(CH3){1|Se<2>,3|C<4>}	110.3110	0.000	1	110.3110	0.000	1	110.3110	0.000	1	110.3110	0.000	1	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:2:3:	3:4:3:4:	3:3:2:	C[5,6]-4:N[6]-2:C[5]-3:	C[5,6]-3:C[6]-4:C[6a]-3:C[5]-4:	C[5,6]-3:C[5]-3:O-2:	C[5,6](C[5,6]C[6a]C[5]C[6])(N[6]C[6,6a])(C[5]C[5]O)	C[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]C)(OC)	C[5,6](C[5,6]C[6a]C[5]C[6])(N[6]C[6,6a])(C[5]C[5]O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]C)(OC){1|C<4>,2|C<3>,2|H<1>}	106.8015	0.226	2	106.8015	0.051	2	106.8015	0.051	2	106.8015	0.051	2	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:2:3:	3:4:3:4:	3:3:4:	C[5,6]-4:N[6]-2:C[5]-3:	C[5,6]-3:C[6]-4:C[6a]-3:C[5]-4:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[5,6]C[6a]C[5]C[6])(N[6]C[6,6a])(C[5]C[5]C)	C[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]C)(CH3)	C[5,6](C[5,6]C[6a]C[5]C[6])(N[6]C[6,6a])(C[5]C[5]C){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]C)(CH3){1|C<4>,2|C<3>,2|H<1>}	109.1650	0.000	1	109.1650	0.000	1	109.1650	0.000	1	109.1650	0.000	1	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:2:3:	4:3:3:3:	3:3:2:	C[5,6]-4:O[6]-2:C[5]-3:	C[5,6]-4:C[5,6]-3:C[5]-3:C-3:	C[5,6]-3:C[5]-3:C-2:	C[5,6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(C[5]C[5]C)	C[5,6](C[5,6]C[6,6a]C[5]O[5])(C[5,6]C[5]O[6])(C[5]C[5]C)(COO)	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]N)(CN)	C[5,6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(C[5]C[5]C){1|N<2>,1|O<2>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]O[5])(C[5,6]C[5]O[6])(C[5]C[5]C)(COO){1|C<2>,1|N<2>,5|C<3>}	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]N)(CN){1|C<4>,3|C<3>}	112.6340	0.000	1	112.6340	0.000	1	112.6340	0.000	1	112.6340	0.000	1	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:2:	3:3:2:1:	3:3:3:	C[5,6]-4:C[5]-3:N[6]-2:	C[5,6a]-3:C[5,6]-3:O[6]-2:H-1:	C[5,6a]-3:C[5,6]-3:C[5a]-3:	C[5,6](C[5,6]C[5,6a]O[6]H)(C[5]C[5,6a]C[5a])(N[6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(O[6]C[6])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6])(C[5a]C[5a]N[5a])	C[5,6](C[5,6]C[5,6a]O[6]H)(C[5]C[5,6a]C[5a])(N[6]C[6]){1|C<4>,1|N<3>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(O[6]C[6])(H){1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6])(C[5a]C[5a]N[5a]){1|O<2>,4|H<1>,5|C<3>}	109.2980	0.000	1	109.2980	0.000	1	109.2980	0.000	1	109.2980	0.000	1	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	3:2:4:1:	3:2:1:	C[5,6]-4:C[6]-3:C[5]-3:	C[5,6]-3:O[6]-2:C[5]-4:H-1:	C[5,6]-3:O[5]-2:H-1:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]O)(C[5]O[5]H)	C[5,6](C[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]O[5]CC)(H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]O)(C[5]O[5]H){4|C<3>}	C[5,6](C[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]O[5]CC)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	108.8880	0.000	1	108.8880	0.000	1	108.8880	0.000	1	108.8880	0.000	1	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	3:2:4:1:	3:3:1:	C[5,6]-4:C[6]-3:C[5]-3:	C[5,6]-3:O[6]-2:C[5]-4:H-1:	C[5,6]-3:C[5]-3:O-1:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]H)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(O)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]H)(C[5]C[5]O){2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]C[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(O){1|C<3>,1|O<2>,4|H<1>}	108.3970	0.000	1	108.3970	0.000	1	108.3970	0.000	1	108.3970	0.000	1	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	3:2:4:1:	3:4:1:	C[5,6]-4:C[6]-3:C[5]-3:	C[5,6]-3:O[6]-2:C[5]-4:H-1:	C[5,6]-3:C[5]-4:O-1:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]H)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]H)(C[5]C[5]O){2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]C[5]HH)(H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){1|C<3>,1|O<2>,4|H<1>}	108.8330	0.262	2	108.8330	0.068	2	108.8330	0.068	2	108.8330	0.068	2	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	3:3:2:1:	3:3:3:	C[5,6]-4:C[5]-3:C[6]-3:	N[5,5a]-3:C[5,6]-3:O[6]-2:H-1:	C[5,5a]-3:C[5,6]-3:C[5a]-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)	C[5,6](N[5,5a]C[5,5a]C[5a])(C[5,6]C[5]C[6])(O[6]C[6,6a])(H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5,6]C[6])(C[5a]C[5a]N[5a])	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>}	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>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5,6]C[6])(C[5a]C[5a]N[5a]){1|O<1>,1|O<2>,4|H<1>,5|C<3>}	110.2860	0.000	1	110.3763	0.024	3	110.3763	0.024	3	110.9700	1.190	5	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	3:3:2:1:	3:3:3:	C[5,6]-4:C[5]-3:C[6]-3:	N[5,5a]-3:C[5,6]-3:O[6]-2:H-1:	C[5,5a]-3:C[5,6]-3:C[5a]-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)	C[5,6](N[5,5a]C[5,5a]C[5a])(C[5,6]C[5]C[6])(O[6]C[6,6a])(H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5,6]C[6])(C[5a]C[5a]N[5a])	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>}	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>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5,6]C[6])(C[5a]C[5a]N[5a]){1|B<4>,2|O<2>,3|H<1>,5|C<3>}	110.4215	0.192	2	110.3763	0.024	3	110.3763	0.024	3	110.9700	1.190	5	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	3:3:2:1:	3:3:3:	C[5,6]-4:C[5]-3:N[6]-3:	C[5,6a]-3:C[5,6]-3:O[6]-2:H-1:	C[5,6a]-3:C[5,6]-3:C[5a]-3:	C[5,6](C[5,6]C[5,6a]O[6]H)(C[5]C[5,6a]C[5a])(N[6]C[6]Ni)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(O[6]C[6])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6])(C[5a]C[5a]N[5a])	C[5,6](C[5,6]C[5,6a]O[6]H)(C[5]C[5,6a]C[5a])(N[6]C[6]Ni){1|C<4>,1|N<3>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(O[6]C[6])(H){1|Ni<4>,1|C<2>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6])(C[5a]C[5a]N[5a]){1|Ni<4>,1|O<2>,3|H<1>,5|C<3>}	111.8605	1.438	2	111.8605	2.067	2	111.8605	2.067	2	110.9700	1.190	5	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	3:3:2:4:	3:3:3:	C[5,6]-4:C[5]-3:N[6]-3:	C[5,6a]-3:C[5,6]-3:S[6]-2:C-4:	C[5,6a]-3:C[5,6]-3:C[5a]-3:	C[5,6](C[5,6]C[5,6a]S[6]C)(C[5]C[5,6a]C[5a])(N[6]C[5,6]Ni)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(S[6]C[5,6])(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6])(C[5a]C[5a]N[5a])	C[5,6](C[5,6]C[5,6a]S[6]C)(C[5]C[5,6a]C[5a])(N[6]C[5,6]Ni){1|C<4>,1|N<3>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(S[6]C[5,6])(CH3){1|Ni<4>,1|C<4>,1|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6])(C[5a]C[5a]N[5a]){1|Ni<4>,1|C<4>,1|S<2>,2|H<1>,5|C<3>}	111.4340	0.591	2	111.4340	0.349	2	111.4340	0.349	2	111.4340	0.349	2	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	3:3:3:2:	3:3:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:O[6]-2:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5,6a]C[6a]O[6])(C[5]C[5,6a]O)(C[6]C[6,6a]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])	C[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[6a]O[6])(C[5]C[5,6a]O)(C[6]C[6,6a]C){6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6,6a]){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	C[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|O<2>,4|C<3>}	109.5460	0.000	1	109.5460	0.000	1	109.5460	0.000	1	109.5460	0.000	1	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	3:3:3:2:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[5]-3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:O[6]-2:	C[5,6]-3:C[5,6a]-3:C-4:	C[5,6](C[5,6]C[5,6a]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6a]C[6a]2)(O[6]C[6])	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6](C[5,6]C[5,6a]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C){1|C<4>,1|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,5|H<1>,6|C<3>}	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,5|C<3>}	110.8910	0.000	1	110.8910	0.000	1	110.8910	0.000	1	110.8910	0.000	1	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:C[5]-3:	C[5,6]-3:N[5]-3:N[6]-3:C[6a]-3:	C[5,6]-3:C[5]-3:O-1:	C[5,6](C[5,6]C[6a]N[5]N[6])(C[6]C[6a]N[6])(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(N[6]C[6a]C[6])(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(O)	C[5,6](C[5,6]C[6a]N[5]N[6])(C[6]C[6a]N[6])(C[5]C[5]O){1|O<1>,8|C<3>}	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(N[6]C[6a]C[6])(C[6a]C[6a]2){1|N<3>,2|H<1>,3|O<1>,7|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(O){2|N<3>,3|C<3>}	110.3430	0.509	2	110.3430	0.259	2	110.3430	0.259	2	110.4140	0.145	3	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:C[5]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6](C[5,6]C[5,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[5]C[5,6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[6a]C[6a]2)	C[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[6,6a]C[6a])(C[6]C[6a]C[6])(C[5]C[5,6a]H){1|H<1>,8|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[6a]C[6a]2){5|H<1>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H){1|H<1>,6|C<3>}	110.5560	0.000	1	110.5560	0.000	1	110.5560	0.000	1	110.4140	0.145	3	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	3:3:3:4:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[5]-3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:C[6]-4:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[6a]){1|C<4>,3|H<1>,8|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,8|C<3>}	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	111.4960	0.000	1	111.4960	0.000	1	111.4960	0.000	1	111.4960	0.000	1	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	3:3:4:1:	3:3:4:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-3:C-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]C)(C[6]C[6]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]CH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CH3)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]C)(C[6]C[6]C){2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]CH)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CH3){2|C<4>,2|H<1>,3|C<3>}	110.9620	0.000	1	110.9620	0.000	1	110.9620	0.000	1	110.9620	0.000	1	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	3:3:4:4:	3:3:1:	C[5,6]-4:C[6]-3:C[5]-3:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6]C[6a]C[6])(C[5]C[5,6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3)	C[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]C)(C[6]C[6a]C[6])(C[5]C[5,6a]H){1|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3){4|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H){1|H<1>,2|C<4>,4|C<3>}	110.7510	0.000	1	110.7510	0.000	1	110.7510	0.000	1	110.7510	0.000	1	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	3:4:3:1:	3:2:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-4:N[6]-3:H-1:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[5]N[6]H)(C[5]O[5]O)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HO)(N[6]C[6]C)(H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O)	C[5,6](C[5,6]C[5]N[6]H)(C[5]O[5]O)(C[6]C[6]H){1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HO)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O){1|C<4>,1|N<3>,1|O<2>,3|H<1>}	107.3040	0.000	1	107.3040	0.000	1	107.3040	0.000	1	107.3040	0.000	1	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	3:4:3:1:	3:3:3:	C[5,6]-4:C[5]-3:N[6]-3:	C[5,6]-3:C[6]-4:N[5]-3:H-1:	C[5,6]-3:C[5]-3:C-3:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]C)(N[6]C[6]C)	C[5,6](C[5,6]C[5]N[6])(C[6]C[6]CH)(N[5]C[5]H)(H)	C[5](C[5,6]C[5,6]N[6])(C[5]N[5]O)(CCO)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]C)(N[6]C[6]C){1|O<1>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]N[6])(C[6]C[6]CH)(N[5]C[5]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]N[6])(C[5]N[5]O)(CCO){2|H<1>,3|C<4>}	110.1630	0.421	2	110.1630	0.178	2	110.1630	0.178	2	110.1630	0.178	2	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	3:4:3:3:	3:3:3:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-4:C[5]-3:C[6a]-3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5,6](C[5,6]C[6a]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6,6a]O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HO)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6,6a]O){1|H<1>,1|O<2>,8|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HO)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,7|C<3>}	110.4300	0.000	1	110.4300	0.000	1	110.4300	0.000	1	110.4300	0.000	1	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	3:4:3:3:	3:4:3:	C[5,6]-4:C[6,6a]-3:C[5]-3:	C[5,6]-3:C[5]-4:C[6a]-3:C[6]-3:	C[5,6]-3:Si[5]-4:C[6a]-3:	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]Si[5])	C[5,6](C[5,6]C[6,6a]C[5])(C[5]Si[5]HH)(C[6a]C[6a]2)(C[6]N[6]O)	C[5](C[5,6]C[6,6a]C[5,6])(Si[5]C[5]Si2)(C[6a]C[6a]2)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]Si[5]){2|Si<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]Si[5]HH)(C[6a]C[6a]2)(C[6]N[6]O){2|Si<4>,1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,6]C[6,6a]C[5,6])(Si[5]C[5]Si2)(C[6a]C[6a]2){4|H<1>,6|C<3>}	117.2800	0.000	1	117.2800	0.000	1	117.2800	0.000	1	117.2800	0.000	1	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	3:4:3:4:	3:3:3:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6]-3:N[5]-3:C[6a]-3:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[6a]N[5])(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]N[5]O)(CH3)	C[5](C[5,6]C[5,6]C[6])(N[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[6a]N[5])(C[6]C[6]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]N[5]O)(CH3){2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	109.7950	0.000	1	109.7950	0.000	1	109.7950	0.000	1	109.7950	0.000	1	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	3:4:4:1:	3:2:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]O)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]O[5]H)(C[6]C[6]CC)(H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]O)(C[6]C[6]H){3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]O[5]H)(C[6]C[6]CC)(H){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O){3|C<4>,3|H<1>}	108.0330	0.000	1	108.0330	0.000	1	107.7985	0.110	2	107.7027	0.083	3	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	3:4:4:1:	3:2:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]O)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]SS)(H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]O)(C[6]C[6]H){1|C<4>,1|O<2>,2|S<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]SS)(H){1|C<4>,1|O<1>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O){1|O<2>,2|C<4>,3|H<1>}	107.5640	0.000	1	107.5640	0.000	1	107.7985	0.110	2	107.7027	0.083	3	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	3:4:4:1:	3:2:1:	C[5,6]-4:C[6]-3:C[5]-3:	C[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]H)(C[5]O[5]O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]CH)(C[5]O[5]CH)(H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]H)(C[5]O[5]O){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]CH)(C[5]O[5]CH)(H){1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O){3|C<4>,3|H<1>}	107.5110	0.000	1	107.5110	0.000	1	107.5110	0.000	1	107.7027	0.083	3	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	3:4:4:1:	3:3:1:	C[5,6]-4:C[6]-3:C[5]-3:	C[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]C)(C[5]C[5]H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]C)(C[5]C[5]H){2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]H)(H){3|C<4>,3|H<1>}	105.0260	0.000	1	105.0260	0.000	1	105.0260	0.000	1	105.0260	0.000	1	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	3:4:4:1:	3:3:4:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]2)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]H)(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]2){1|N<3>,2|C<4>,8|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(H){1|H<1>,1|S<4>,3|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]H)(CH3){3|C<4>,3|H<1>}	106.1640	0.000	1	106.1640	0.000	1	106.1640	0.000	1	106.1640	0.000	1	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	3:4:4:1:	3:4:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[5]-4:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O)(C[6]C[6]H){1|C<3>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CC)(H){1|O<1>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(O){2|C<4>,4|H<1>}	107.2340	0.000	1	107.2340	0.000	1	107.2340	0.000	1	107.2340	0.000	1	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	3:4:4:1:	3:4:3:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[5]-4:C-3:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]2)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHH)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]2){1|N<3>,2|C<4>,9|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(H){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHH){3|C<4>,3|H<1>}	105.9640	0.000	1	105.9640	0.000	1	105.9640	0.000	1	110.0450	12.520	3	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	3:4:4:1:	3:4:3:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[5]-4:C[6a]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(C[6]C[6]Si)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]B[6]HH)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]SiH)(C[6a]C[6a]2)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(C[6]C[6]Si){1|Si<4>,1|B<3>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]B[6]HH)(H){2|Si<4>,1|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]SiH)(C[6a]C[6a]2){1|Si<4>,1|C<4>,2|F<1>,3|C<3>,3|H<1>}	112.0855	0.243	2	112.0855	0.059	2	112.0855	0.059	2	110.0450	12.520	3	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	3:4:4:2:	3:3:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]O[5])(C[5]C[5]H)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]N[5]H)(C[6]C[6]HH)(O[5]C[5])	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5]C[6]O[5])(C[5]C[5]H)(C[6]C[6]H){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]N[5]H)(C[6]C[6]HH)(O[5]C[5]){1|Cl<1>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(H){1|C<3>,1|H<1>,2|C<4>}	109.7093	0.227	3	109.7093	0.052	3	109.7093	0.052	3	109.7093	0.052	3	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	3:4:4:2:	3:4:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-4:C[5]-4:O-2:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]H)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[3]C[6]H)(C[5]C[5]CC)(OH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]H)(C[6]C[6]H){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[3]C[6]H)(C[5]C[5]CC)(OH){1|C<3>,2|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	111.5240	0.276	2	111.5240	0.076	2	111.5240	0.076	2	111.5240	0.076	2	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	3:4:4:3:	3:2:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6,6]-4:C[5]-4:C-3:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]O[5]O)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[5]O[5]HH)(CCC)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]O[5]O)(C[6]C[6]H){2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[5]O[5]HH)(CCC){2|O<1>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O){1|C<3>,2|C<4>,3|H<1>}	110.0083	0.200	3	110.0083	0.040	3	110.0083	0.040	3	110.0083	0.040	3	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	3:4:4:3:	3:4:1:	C[5,6]-4:C[5]-3:N[6]-3:	C[5,6]-3:C[5]-4:C[6]-4:C-3:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]H)(N[6]C[6]C)	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH)(COO)	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]H)(N[6]C[6]C){1|C<4>,1|O<1>,6|H<1>}	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH)(COO){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]HH)(H){2|C<3>,2|C<4>,2|H<1>}	112.8710	0.000	1	112.8710	0.000	1	112.8710	0.000	1	112.8710	0.000	1	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	3:4:4:4:	3:3:3:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-3:C[5]-3:C-3:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(CHHO)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]H)(CCC)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]H){2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(CHHO){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]H)(CCC){3|C<4>,3|H<1>}	107.3760	0.000	1	107.3760	0.000	1	111.2890	11.556	3	111.2890	11.556	3	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	3:4:4:4:	3:3:3:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-3:C[5]-3:C-3:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CCC)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]H){1|O<1>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CCC){1|C<3>,2|C<4>,3|H<1>}	113.2455	0.381	2	113.2455	0.145	2	111.2890	11.556	3	111.2890	11.556	3	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	3:4:4:4:	3:3:4:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-3:C[5]-3:Si-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]Si)(C[6]C[6]C)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(SiC3)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]Si)(C[6]C[6]C){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|Si<4>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(SiC3){1|C<3>,2|H<1>,3|C<4>}	114.0450	0.137	2	114.0450	0.019	2	114.0450	0.019	2	114.0450	0.019	2	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	3:4:4:4:	3:4:1:	C[5,6]-4:C[5]-3:N[6]-3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]H)(N[6]C[6]C)	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]CH)(CCHH)	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]CC)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]H)(N[6]C[6]C){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]CH)(CCHH){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]CC)(H){1|C<3>,2|H<1>,3|C<4>}	113.2550	0.000	1	113.2550	0.000	1	113.2550	0.000	1	113.2550	0.000	1	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	3:4:4:4:	3:4:3:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-3:C[5]-4:C-3:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]C)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHH)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]C){1|N<3>,8|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(CH3){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHH){2|H<1>,4|C<4>}	106.0080	0.000	1	106.0080	0.000	1	106.0080	0.000	1	106.0080	0.000	1	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	3:4:4:4:	3:4:4:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-3:C[5]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]C)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]C){1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	111.8480	0.000	1	111.8480	0.000	1	111.8480	0.000	1	111.8480	0.000	1	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	4:3:2:1:	3:3:3:	C[5,6]-4:C[5]-3:C[6]-3:	C[6,6]-4:C[5,6]-3:O[5]-2:H-1:	C[5,6]-3:C[5]-3:C-3:	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]C)(C[6]C[6]O)	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6])(O[5]C[5])(H)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CC[6a]H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]C)(C[6]C[6]O){1|O<2>,2|C<4>,2|O<1>}	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6])(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CC[6a]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	106.4960	0.000	1	106.4960	0.000	1	106.4960	0.000	1	106.4960	0.000	1	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	4:3:2:1:	3:3:4:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6]-3:O[5]-2:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]C)(C[6]C[6]O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])(O[5]C[5])(H)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]C)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])(O[5]C[5])(H){1|C<3>,2|O<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3){1|H<1>,1|O<1>,2|C<4>}	110.0950	0.000	1	110.0950	0.000	1	110.0950	0.000	1	110.0950	0.000	1	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	4:3:2:2:	3:2:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6]-3:O[6]-2:O-2:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[5,6]O[6]O)(C[5]O[5]O)(C[6]C[6]C)	C[5,6](C[5,6]C[6]2O[5])(C[5,6]C[5]C[6])(O[6]O[6])(OH)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5,6])(O)	C[5,6](C[5,6]C[5,6]O[6]O)(C[5]O[5]O)(C[6]C[6]C){1|O<2>,4|C<4>}	C[5,6](C[5,6]C[6]2O[5])(C[5,6]C[5]C[6])(O[6]O[6])(OH){1|O<1>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5,6])(O){2|O<2>,4|C<4>}	104.3690	0.000	1	104.3690	0.000	1	104.3690	0.000	1	104.3690	0.000	1	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	4:3:2:4:	3:3:1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-4:C[5,6]-3:S[5]-2:C-4:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H)	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CCHH)	C[5](C[5,6]C[5,6]2)(C[5]C[6a]S[5])(H)	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H){1|S<2>,2|C<3>,2|F<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CCHH){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]2)(C[5]C[6a]S[5])(H){3|C<3>,3|C<4>}	113.0090	0.525	2	113.0090	0.275	2	112.2841	0.408	12	112.2841	0.408	12	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	4:3:2:4:	3:3:1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-4:C[5,6]-3:S[5]-2:C-4:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H)	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CH3)	C[5](C[5,6]C[5,6]2)(C[5]C[6a]S[5])(H)	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H){1|S<2>,2|C<3>,2|F<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CH3){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]2)(C[5]C[6a]S[5])(H){3|C<3>,3|C<4>}	112.5520	0.309	4	112.5520	0.095	4	112.2841	0.408	12	112.2841	0.408	12	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	4:3:2:4:	3:3:1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-4:C[5,6]-3:S[5]-2:C-4:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H)	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CH3)	C[5](C[5,6]C[5,6]2)(C[5]S[5]C)(H)	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H){1|C<3>,1|S<2>,2|F<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CH3){1|H<1>,2|C<4>,3|C<3>}	C[5](C[5,6]C[5,6]2)(C[5]S[5]C)(H){1|C<3>,3|C<4>}	111.8305	0.457	2	111.8305	0.209	2	112.2841	0.408	12	112.2841	0.408	12	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	4:3:2:4:	3:3:1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-4:C[5,6]-3:S[5]-2:C-4:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H)	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CH3)	C[5](C[5,6]C[5,6]2)(C[5]S[5]Fe)(H)	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H){1|Fe<8>,1|C<3>,1|S<2>,2|F<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CH3){1|Fe<8>,1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]2)(C[5]S[5]Fe)(H){1|C<3>,3|C<4>}	111.6750	0.991	2	111.6750	0.983	2	112.2841	0.408	12	112.2841	0.408	12	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	4:3:2:4:	3:3:1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-4:C[5,6]-3:S[5]-2:C-4:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H)	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CH3)	C[5](C[5,6]C[5,6]2)(C[5]S[5]Ru)(H)	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H){1|Ru<8>,1|C<3>,1|S<2>,2|F<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CH3){1|Ru<8>,1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]2)(C[5]S[5]Ru)(H){1|C<3>,3|C<4>}	112.0860	0.406	2	112.0860	0.165	2	112.2841	0.408	12	112.2841	0.408	12	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	4:3:2:4:	3:3:4:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-4:C[5,6]-3:S[5]-2:C-4:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]C)	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CH3)	C[5](C[5,6]C[5,6]2)(C[5]C[6a]S[5])(CH3)	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]C){1|S<2>,2|C<3>,2|F<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CH3){2|C<4>,4|C<3>}	C[5](C[5,6]C[5,6]2)(C[5]C[6a]S[5])(CH3){3|C<3>,3|C<4>}	112.8330	0.380	2	112.8330	0.145	2	112.8330	0.145	2	112.8330	0.145	2	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	4:3:3:1:	3:3:2:	C[5,6]-4:C[5]-3:C[6]-3:	Si[5,5]-4:C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[6a]-3:O[5]-2:	C[5,6](C[5,6]Si[5,5]C[6]H)(C[5]C[6a]O[5])(C[6]C[6]H)	C[5,6](Si[5,5]C[5]2O[5])(C[5,6]C[5]C[6])(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]Si[5,5])	C[5,6](C[5,6]Si[5,5]C[6]H)(C[5]C[6a]O[5])(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	C[5,6](Si[5,5]C[5]2O[5])(C[5,6]C[5]C[6])(C[6]C[6]H)(H){4|Si<4>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]Si[5,5]){2|C<4>,4|C<3>,4|H<1>}	115.0090	0.000	1	115.0090	0.000	1	115.0090	0.000	1	115.0090	0.000	1	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	4:3:3:1:	3:3:3:	C[5,6]-4:C[5]-3:C[6]-3:	Si[5,6]-4:C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5]-3:C[6a]-3:	C[5,6](C[5,6]Si[5,6]C[6]H)(C[5]C[6a]N[5])(C[6]C[6]H)	C[5,6](Si[5,6]N[5]N[6]2)(C[5,6]C[5]C[6])(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6])(N[5]Si[5,6]N)(C[6a]C[6a]2)	C[5,6](C[5,6]Si[5,6]C[6]H)(C[5]C[6a]N[5])(C[6]C[6]H){2|H<1>,3|C<3>,3|N<3>}	C[5,6](Si[5,6]N[5]N[6]2)(C[5,6]C[5]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,6|C<3>}	C[5](C[5,6]C[5,6]C[6])(N[5]Si[5,6]N)(C[6a]C[6a]2){2|N<3>,4|C<3>,4|H<1>}	115.5850	0.000	1	115.5850	0.000	1	115.5850	0.000	1	115.5850	0.000	1	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	4:3:3:2:	3:3:1:	C[5,6]-4:C[6]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[5,6]-3:O-2:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[5a]C[6])(C[5]C[5,6a]O)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(OH)	C[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[5,6]O)(C[6]C[5a]C[6])(C[5]C[5,6a]O){1|H<1>,1|S<2>,2|C<4>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(OH){1|C<4>,1|N<3>,2|H<1>,2|O<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	109.2860	0.000	1	109.2860	0.000	1	109.2860	0.000	1	109.2860	0.000	1	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	4:3:3:2:	4:3:3:	C[5,6]-4:C[6,6a]-3:C[5]-3:	C[5,5]-4:C[5,6]-3:C[6a]-3:O[6]-2:	C[5,5]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[5,6]C[5,5]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,5]C[6a])	C[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[6,6a]C[5])(C[6a]C[6a]2)(O[6]C[6])	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)	C[5,6](C[5,6]C[5,5]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,5]C[6a]){1|C<4>,1|N<3>,3|H<1>,7|C<3>}	C[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[6,6a]C[5])(C[6a]C[6a]2)(O[6]C[6]){1|S<4>,5|H<1>,7|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2){1|N<3>,1|O<2>,3|H<1>,7|C<3>}	112.1785	0.694	2	112.1785	0.481	2	112.1785	0.481	2	112.1785	0.481	2	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	4:3:3:4:	4:3:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,5]-4:C[5,6]-3:C[6]-3:C-4:	C[5,5]-4:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5,5]O)(C[6]C[6]O)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6])(C[6]C[6]C)(CH3)	C[5](C[5,5]C[5,5]C[5]O)(C[5,6]C[5,6]C[6])(O)	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5,5]O)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6])(C[6]C[6]C)(CH3){1|C<4>,1|O<1>,3|C<3>,3|O<2>}	C[5](C[5,5]C[5,5]C[5]O)(C[5,6]C[5,6]C[6])(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	107.4900	0.000	1	107.4900	0.000	1	107.4900	0.000	1	107.4900	0.000	1	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	4:3:4:1:	3:2:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[3,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[3,6]C[5]H)(C[5]O[5]O)(C[6]C[6]H)	C[5,6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5]C[6])(C[5]O[5]CH)(H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O)	C[5,6](C[5,6]C[3,6]C[5]H)(C[5]O[5]O)(C[6]C[6]H){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5]C[6])(C[5]O[5]CH)(H){1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O){3|C<4>,3|H<1>}	108.4610	0.000	1	108.4610	0.000	1	108.4610	0.000	1	107.8674	0.489	9	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	4:3:4:1:	3:2:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[6,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]O)(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HH)(H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]O)(C[6]C[6]H){3|C<4>,4|H<1>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HH)(H){1|O<1>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O){2|C<4>,4|H<1>}	108.1232	0.688	4	108.1232	0.473	4	107.7933	0.503	8	107.8674	0.489	9	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	4:3:4:1:	3:2:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[6,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]O)(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HO)(H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]O)(C[6]C[6]H){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HO)(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O){1|O<2>,2|C<4>,3|H<1>}	107.0250	0.000	1	107.6150	0.476	3	107.7933	0.503	8	107.8674	0.489	9	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	4:3:4:1:	3:2:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[6,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]O)(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HO)(H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]O)(C[6]C[6]H){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HO)(H){1|O<1>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O){1|O<2>,2|C<4>,3|H<1>}	107.9100	0.656	2	107.6150	0.476	3	107.7933	0.503	8	107.8674	0.489	9	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	4:3:4:1:	3:2:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[6,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]O)(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)(H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]O)(C[6]C[6]H){2|C<4>,5|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O){2|C<4>,4|H<1>}	107.0080	0.000	1	107.0080	0.000	1	107.7933	0.503	8	107.8674	0.489	9	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	4:3:4:1:	3:3:2:	C[5,6]-4:C[5]-3:C[6]-3:	C[6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-3:C[6a]-3:O[5]-2:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]O[5])(C[6]C[6]H)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)(H)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]O[5])(C[6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)(H){2|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,3|C<3>,6|H<1>}	108.8200	0.000	1	108.8200	0.000	1	108.8200	0.000	1	108.8200	0.000	1	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	4:3:4:1:	3:4:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[4x6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-3:C[5]-4:O-1:	C[5,6](C[5,6]C[4x6]C[5]H)(C[5]C[5]O)(C[6]C[6]H)	C[5,6](C[4x6]C[3x6]C[6,6]2)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[4x6]C[5]H)(C[5]C[5]O)(C[6]C[6]H){1|C<4>,2|C<3>,5|H<1>}	C[5,6](C[4x6]C[3x6]C[6,6]2)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H){2|C<3>,2|O<1>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){1|C<3>,1|C<4>,4|H<1>}	109.9550	0.000	1	109.9550	0.000	1	109.9550	0.000	1	111.0220	2.277	2	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	4:3:4:1:	3:4:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]H)(C[6]C[6]C)	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]H)(C[6]C[6]C){1|N<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<3>,2|C<4>,3|C<2>,7|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H){1|C<2>,1|C<3>,1|C<4>,3|H<1>}	112.0890	0.000	1	112.0890	0.000	1	112.0890	0.000	1	111.0220	2.277	2	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	4:3:4:1:	4:3:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,5,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,5,6]-4:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5,6]O)(C[6]C[6]H)	C[5,6](C[5,5,6]C[5,5,6]2H)(C[5,6]C[5]C[6])(C[6]C[6]HN)(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5,6]C[5,6]C[6])(O)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5,6]O)(C[6]C[6]H){1|N<3>,4|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]2H)(C[5,6]C[5]C[6])(C[6]C[6]HN)(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5,6]C[5,6]C[6])(O){1|C<3>,4|C<4>,4|H<1>}	109.4340	0.000	1	109.4340	0.000	1	109.4340	0.000	1	109.4340	0.000	1	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	4:3:4:2:	3:4:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[4,6]-4:C[5,6]-3:C[5]-4:O-2:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[4,6]C[5]O)(C[5]C[5]H)(C[6]C[6]O)	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5]C[6])(C[5]C[5]HO)(OH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)	C[5,6](C[5,6]C[4,6]C[5]O)(C[5]C[5]H)(C[6]C[6]O){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5]C[6])(C[5]C[5]HO)(OH){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	111.6470	0.000	1	111.6470	0.000	1	111.6470	0.000	1	111.6470	0.000	1	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	4:3:4:3:	3:3:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6]-3:C[6]-4:C-3:	C[5,6]-3:N[5,6]-3:O-1:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]N[5,6]O)(C[6]C[6]H)	C[5,6](C[5,6]C[5a,6]N[5,6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(COO)	C[5](C[5,6]C[5,6]C[6])(N[5,6]C[5,6]C[6])(O)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]N[5,6]O)(C[6]C[6]H){1|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5a,6]N[5,6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(COO){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(N[5,6]C[5,6]C[6])(O){2|C<3>,3|C<4>,4|H<1>}	108.0480	0.000	1	108.0480	0.000	1	107.9105	0.038	2	108.1707	0.122	4	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	4:3:4:3:	3:3:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6]-3:C[6]-4:C-3:	C[5,6]-3:N[5,6]-3:O-1:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]N[5,6]O)(C[6]C[6]H)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(COO)	C[5](C[5,6]C[5,6]C[6])(N[5,6]C[5,6]C[6])(O)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]N[5,6]O)(C[6]C[6]H){1|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(COO){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(N[5,6]C[5,6]C[6])(O){2|C<3>,3|C<4>,4|H<1>}	107.7730	0.000	1	107.7730	0.000	1	107.9105	0.038	2	108.1707	0.122	4	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	4:3:4:3:	3:3:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6]-3:C[6]-4:C-3:	C[5,6]-3:N[5,6]-3:S-1:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]N[5,6]S)(C[6]C[6]H)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(COO)	C[5](C[5,6]C[5,6]C[6])(N[5,6]C[5,6]C[6])(S)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]N[5,6]S)(C[6]C[6]H){1|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(COO){1|S<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(N[5,6]C[5,6]C[6])(S){2|C<3>,3|C<4>,4|H<1>}	108.5980	0.000	1	108.5980	0.000	1	108.5980	0.000	1	108.1707	0.122	4	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	4:3:4:3:	3:3:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5]-4:C[5,6]-3:C[6]-4:C-3:	C[5,6]-3:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]O)(C[6]C[6]H)	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(COO)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]O)(C[6]C[6]H){1|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(COO){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(O){2|C<3>,2|C<4>,2|H<1>}	108.2640	0.000	1	108.2640	0.000	1	108.2640	0.000	1	108.1707	0.122	4	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	4:3:4:4:	3:2:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,5,6]-4:C[5,6]-3:C[5]-4:C-4:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[5,5,6]C[5]C)(C[5]O[5]O)(C[6]C[6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,6]C[5]C[6])(C[5]O[5]HH)(CH3)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O)	C[5,6](C[5,6]C[5,5,6]C[5]C)(C[5]O[5]O)(C[6]C[6]H){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,6]C[5]C[6])(C[5]O[5]HH)(CH3){1|O<1>,3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O){3|C<4>,3|H<1>}	109.8910	0.000	1	109.8910	0.000	1	109.8910	0.000	1	107.0662	1.287	10	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	4:3:4:4:	3:2:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]O)(C[6]C[6]C)	C[5,6](C[5]C[5a]O[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O)	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]O)(C[6]C[6]C){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5]C[5a]O[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O){1|C<3>,1|H<1>,4|C<4>}	106.6146	0.440	8	106.6146	0.193	8	106.6146	0.193	8	107.0662	1.287	10	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	4:3:4:4:	3:2:1:	C[5,6]-4:C[6]-3:C[5]-3:	C[5]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5a,6]C)(C[5]O[5]O)	C[5,6](C[5]C[5a]O[5]H)(C[5,6]C[5]C[6])(C[6]C[5a,6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5a,6]C)(C[5]O[5]O){1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[5]C[5a]O[5]H)(C[5,6]C[5]C[6])(C[6]C[5a,6]HH)(CH3){1|C<4>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O){1|H<1>,2|C<3>,3|C<4>}	107.8540	0.000	1	107.8540	0.000	1	107.8540	0.000	1	107.0662	1.287	10	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	4:3:4:4:	3:4:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6]-3:C[5]-4:O-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]O)(C[6]C[6]H)	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)(O)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]O)(C[6]C[6]H){1|C<4>,2|C<3>,6|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)(O){1|C<3>,2|H<1>,3|C<4>}	110.0090	0.000	1	110.0090	0.000	1	110.0090	0.000	1	110.0090	0.000	1	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:3:	4:3:4:4:	4:3:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[3,5]-4:C[5,6]-3:C[6]-4:C-4:	C[3,5]-4:C[5,6]-3:O-1:	C[5,6](C[5,6]C[3,5]C[6]C)(C[5]C[3,5]O)(C[6]C[6]H)	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6])(C[6]C[6]CH)(CH3)	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6])(O)	C[5,6](C[5,6]C[3,5]C[6]C)(C[5]C[3,5]O)(C[6]C[6]H){1|O<1>,3|C<4>,3|H<1>}	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6])(C[6]C[6]CH)(CH3){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6])(O){1|C<3>,2|H<1>,4|C<4>}	109.3500	0.000	1	109.3500	0.000	1	109.3500	0.000	1	109.3500	0.000	1	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:4:	3:3:2:1:	4:3:1:	C[5,6]-4:C[5]-3:C[6]-4:	C[6,6a]-3:C[5,6]-3:O[5]-2:H-1:	C[5,5]-4:C[5,6]-3:H-1:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5,5]H)(C[6]O[6]HH)	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6])(O[5]C[5,5])(H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5,6]C[6])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5,5]H)(C[6]O[6]HH){4|C<3>}	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6])(O[5]C[5,5])(H){1|O<2>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5,6]C[6])(H){1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	111.0565	0.056	2	111.0565	0.003	2	111.0565	0.003	2	111.0565	0.003	2	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:4:	3:3:3:1:	3:3:4:	C[5,6]-4:C[5]-3:C[6]-4:	C[6,6a]-3:C[5,6]-3:N[5]-3:H-1:	C[5,6]-3:C[6a]-3:C[5]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5])(C[6]O[6]CH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]CH)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5])(C[6]O[6]CH){1|C<4>,1|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5]C[5]C)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]CH){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	111.7270	0.000	1	111.7270	0.000	1	111.7270	0.000	1	111.7270	0.000	1	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:4:	3:3:3:1:	4:3:1:	C[5,6]-4:C[5]-3:C[6]-4:	C[6,6a]-3:N[5,5]-3:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-3:H-1:	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]H)(C[6]O[6]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6])(H)	C[5](C[5,5]C[5,5]N[5,5]C)(C[5,6]C[5,6]C[6])(H)	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]H)(C[6]O[6]HH){2|C<4>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6])(H){1|O<2>,2|C<4>,4|C<3>,5|H<1>}	C[5](C[5,5]C[5,5]N[5,5]C)(C[5,6]C[5,6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	110.0820	0.000	1	110.0820	0.000	1	110.0820	0.000	1	110.0820	0.000	1	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:4:	3:3:3:4:	3:3:3:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6a]-3:C[5,6]-3:C[6a]-3:C[6]-4:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[5]C[5,6a]C[6a])(C[6]C[6]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[5]C[5,6a]C[6a])(C[6]C[6]HH){1|C<4>,4|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|N<2>,2|C<4>,4|C<3>,6|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2){2|C<4>,5|C<3>,5|H<1>}	111.9600	0.742	2	111.9600	0.551	2	111.9600	0.551	2	111.9600	0.551	2	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:4:	3:3:4:1:	3:3:4:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,5a]-3:C[5,6]-3:C[6]-4:H-1:	C[5,5a]-3:C[5,6]-3:C-4:	C[5,6](C[5,6]C[5,5a]C[6]H)(C[5]C[5,5a]C)(C[6]C[6]HH)	C[5,6](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5]C[6])(C[6]C[6]CO)(H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5,6]C[6])(CH3)	C[5,6](C[5,6]C[5,5a]C[6]H)(C[5]C[5,5a]C)(C[6]C[6]HH){1|C<2>,1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5]C[6])(C[6]C[6]CO)(H){1|N<3>,2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5,6]C[6])(CH3){2|C<3>,2|C<4>,4|H<1>}	111.2920	0.000	1	111.2920	0.000	1	111.2920	0.000	1	110.9340	0.256	2	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:4:	3:3:4:1:	3:3:4:	C[5,6]-4:C[5]-3:C[6]-4:	N[5,5a]-3:C[5,6]-3:C[6]-4:H-1:	C[5,5a]-3:C[5,6]-3:C-4:	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)	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5,6]C[6])(CSiHH)	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>}	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>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5,6]C[6])(CSiHH){2|C<3>,2|C<4>,4|H<1>}	110.5760	0.000	1	110.5760	0.000	1	110.5760	0.000	1	110.9340	0.256	2	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:4:	3:3:4:1:	4:3:1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6]-3:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5,6]H)(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6])(N[5]C[5,6]S)(C[6]C[6]HH)(H)	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5,6]C[5,6]C[6])(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5,6]H)(C[6]C[6]HH){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(N[5]C[5,6]S)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5,6]C[5,6]C[6])(H){1|O<2>,1|S<4>,2|C<3>,2|C<4>,5|H<1>}	112.1420	0.000	1	112.1420	0.000	1	112.1420	0.000	1	112.1420	0.000	1	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:4:	3:3:4:4:	3:3:1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]H)(C[6]C[6]CC)	C[5,6](C[5,6a]C[5,6a]2)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3)	C[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]C)(C[5]C[5,6a]H)(C[6]C[6]CC){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]2)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H){1|Br<1>,2|C<3>,5|C<4>}	109.6750	0.486	4	109.6750	0.236	4	109.7952	0.249	5	109.7952	0.249	5	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:4:	3:3:4:4:	3:3:1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]H)(C[6]C[6]CC)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3)	C[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]C)(C[5]C[5,6a]H)(C[6]C[6]CC){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H){1|H<1>,2|C<3>,5|C<4>}	110.2760	0.000	1	110.2760	0.000	1	109.7952	0.249	5	109.7952	0.249	5	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:4:	3:4:2:1:	3:3:3:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5])(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HO)(O[5]C[5])(H)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]O)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5])(C[6]C[6]HH){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]O){2|C<3>,2|C<4>,5|H<1>}	109.6830	0.000	1	109.6830	0.000	1	109.6830	0.000	1	109.6830	0.000	1	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:4:	3:4:2:3:	3:4:1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:O[5]-2:C[5]-3:	C[5,6]-3:C[5,5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]O[5])(C[5]C[5,5]H)(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5,5])(C[5]C[5]2)	C[5](C[5,6]C[5,6]C[6])(C[5,5]C[5]2O[5])(H)	C[5,6](C[5,6]C[5]C[6]O[5])(C[5]C[5,5]H)(C[6]C[6]HH){2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5,5])(C[5]C[5]2){1|O<1>,5|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5,5]C[5]2O[5])(H){1|C<3>,5|C<4>,5|H<1>}	109.0500	0.000	1	109.0500	0.000	1	109.0500	0.000	1	109.0500	0.000	1	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:4:	3:4:4:1:	3:3:3:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]O){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	112.2950	0.000	1	112.2950	0.000	1	112.2950	0.000	1	112.2950	0.000	1	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:4:	4:3:3:1:	3:3:4:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6]-4:C[5,6a]-3:C[5,6]-3:H-1:	C[5,6a]-3:C[5,6]-3:Si-4:	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5]C[5,6a]Si)(C[6]C[6]HH)	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(SiC3)	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5]C[5,6a]Si)(C[6]C[6]HH){3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(H){1|Si<4>,1|C<4>,3|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(SiC3){2|C<3>,2|C<4>,4|H<1>}	111.9860	0.328	2	111.9860	0.108	2	111.9860	0.108	2	111.9860	0.108	2	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:4:	4:3:4:1:	4:3:1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(C[6]C[6]CC)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(C[6]C[6]CC){2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|C<3>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(H){1|C<3>,1|H<1>,7|C<4>}	110.5720	0.000	1	110.5720	0.000	1	110.5720	0.000	1	110.5720	0.000	1	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:4:	4:3:4:1:	4:3:2:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,5]-4:C[5,6]-3:C[6]-4:H-1:	C[3,5,5]-4:C[5,6]-3:O-2:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[3,5,5]O)(C[6]C[6]HH)	C[5,6](C[5,5]C[3,5,5]C[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[5](C[3,5,5]C[3,5]C[5,5]C[3])(C[5,6]C[5,6]C[6])(OC)	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[3,5,5]O)(C[6]C[6]HH){4|C<4>,5|H<1>}	C[5,6](C[5,5]C[3,5,5]C[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|O<2>,4|C<4>,6|H<1>}	C[5](C[3,5,5]C[3,5]C[5,5]C[3])(C[5,6]C[5,6]C[6])(OC){4|C<4>,7|H<1>}	109.7320	0.000	1	109.7320	0.000	1	109.7320	0.000	1	109.7320	0.000	1	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:3:4:	4:3:4:4:	3:3:4:	C[5,6]-4:C[5]-3:C[6]-4:	C[6,6]-4:C[5,6]-3:C[5]-4:C-4:	C[5,6]-3:C[5a]-3:C[5]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5a]C[5])(C[6]C[6]HH)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HO)(CH3)	C[5](C[5,6]C[5,6]C[6])(C[5a]C[5a]2)(C[5]C[5]HH)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5a]C[5])(C[6]C[6]HH){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HO)(CH3){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5a]C[5a]2)(C[5]C[5]HH){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	113.1040	0.000	1	113.1040	0.000	1	113.1040	0.000	1	113.1040	0.000	1	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:3:2:2:	3:3:4:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:N[5]-3:O[6]-2:O-2:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[5,6]N[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]C)	C[5,6](C[5,6]C[5]C[6])(N[5]C[5]C)(O[6]C[6])(OC)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CC[6a]HH)	C[5,6](C[5,6]N[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6](C[5,6]C[5]C[6])(N[5]C[5]C)(O[6]C[6])(OC){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CC[6a]HH){2|C<4>,2|H<1>,2|O<2>}	110.0553	0.254	3	110.0553	0.065	3	110.0553	0.065	3	110.0553	0.065	3	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:3:3:2:	3:3:3:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6a]-3:C[5,6]-3:C[5,6]-3:O-2:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[5,6]O)(C[5]C[5,6a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])2(OC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(C[6a]C[6a]2)	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[5,6]O)(C[5]C[5,6a]C[6a]){1|C<4>,8|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])2(OC){1|C<4>,1|H<1>,1|O<2>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(C[6a]C[6a]2){2|Cl<1>,1|C<4>,1|H<1>,1|O<2>,7|C<3>}	109.3640	0.000	1	109.3640	0.000	1	109.5245	0.052	2	109.5245	0.052	2	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:3:3:2:	3:3:3:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6a]-3:C[5,6]-3:C[5,6]-3:O-2:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6a]C[5,6]O)2(C[5]C[5,6a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])2(OC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(C[6a]C[6a]2)	C[5,6](C[5,6]C[5,6a]C[5,6]O)2(C[5]C[5,6a]C[6a]){1|C<4>,8|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])2(OC){1|C<4>,1|H<1>,1|O<2>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(C[6a]C[6a]2){2|Cl<1>,1|H<1>,2|O<2>,7|C<3>}	109.6850	0.000	1	109.6850	0.000	1	109.5245	0.052	2	109.5245	0.052	2	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:3:3:4:	3:3:3:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6a]-3:C[5,6]-3:C[5,6]-3:C-4:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[5,6]O)(C[5]C[5,6a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])2(CHHO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(C[6a]C[6a]2)	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[5,6]O)(C[5]C[5,6a]C[6a]){1|C<4>,8|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])2(CHHO){1|H<1>,2|O<2>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(C[6a]C[6a]2){2|Cl<1>,1|C<4>,1|H<1>,1|O<2>,7|C<3>}	109.8770	0.000	1	109.8770	0.000	1	109.8770	0.000	1	109.8770	0.000	1	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:3:4:1:	3:3:4:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[5]-3:C[6]-4:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C)	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]F)(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]HH)(H){1|F<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]F)(CH3){1|C<3>,2|C<4>,3|H<1>}	110.1260	0.000	1	110.1260	0.000	1	110.1260	0.000	1	110.1260	0.000	1	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:3:4:4:	3:3:1:	C[5,6]-4:C[6,6]-4:C[5]-3:	C[5,6]-3:C[5,6a]-3:C[6]-4:C-4:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]H)	C[5,6](C[5,6]C[6,6]C[5])(C[5,6a]C[5,6a]2)(C[6]C[6]HH)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6,6])(H)	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]H){2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[5,6a]C[5,6a]2)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6,6])(H){1|O<2>,2|C<3>,5|C<4>}	110.0210	0.000	1	110.0210	0.000	1	110.0210	0.000	1	110.0210	0.000	1	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:3:4:4:	3:3:4:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-3:C[5]-3:C[6]-4:C-4:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[6a]C[5])(C[6]C[6,6]HH)(CCHO)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]C[6])(C[6]C[6]2H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]C[6]){1|C<3>,5|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[6a]C[5])(C[6]C[6,6]HH)(CCHO){2|C<3>,2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]C[6])(C[6]C[6]2H){1|C<3>,6|H<1>,8|C<4>}	109.6490	0.000	1	109.6490	0.000	1	109.6490	0.000	1	109.6490	0.000	1	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:2:1:	3:3:4:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HO)(C[5]C[5]C)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(H)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HO)(C[5]C[5]C){1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3){1|O<2>,2|C<4>,2|H<1>}	109.4350	0.000	1	109.4350	0.000	1	109.4635	0.002	2	109.4635	0.002	2	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:2:1:	3:3:4:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(C[5]C[5]C)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CCHH)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(C[5]C[5]C){1|C<4>,1|O<1>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CCHH){2|C<4>,3|H<1>}	109.4920	0.000	1	109.4920	0.000	1	109.4635	0.002	2	109.4635	0.002	2	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:2:1:	3:4:1:	C[3,5,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-3:C[5,5]-4:H-1:	C[5,6](C[3,5,6]C[3,5,6]C[3]C[5])(C[5,6]C[6]O[5]H)(C[5]C[5,5]H)	C[5,6](C[5,6]C[3,5,6]C[5])(C[6]C[6]HH)(O[5]C[5,5])(H)	C[5](C[5,6]C[3,5,6]C[5,6])(C[5,5]C[5]O[5]2)(H)	C[5,6](C[3,5,6]C[3,5,6]C[3]C[5])(C[5,6]C[6]O[5]H)(C[5]C[5,5]H){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[3,5,6]C[5])(C[6]C[6]HH)(O[5]C[5,5])(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[3,5,6]C[5,6])(C[5,5]C[5]O[5]2)(H){1|C<3>,3|H<1>,5|C<4>}	109.0880	0.074	2	109.0880	0.005	2	109.0880	0.005	2	109.4073	0.448	4	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:2:1:	3:4:1:	C[5,6,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-3:C[5]-4:O[6]-2:H-1:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5,6]C[5]O[6]H)(C[5]C[5]H)	C[5,6](C[5,6]C[5,6,6]C[5])(C[5]C[5]HH)(O[6]C[6])(H)	C[5](C[5,6]C[5,6,6]C[5,6])(C[5]C[5]HH)(H)	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5,6]C[5]O[6]H)(C[5]C[5]H){2|C<3>,3|C<4>,8|H<1>}	C[5,6](C[5,6]C[5,6,6]C[5])(C[5]C[5]HH)(O[6]C[6])(H){1|O<1>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[5,6])(C[5]C[5]HH)(H){1|O<2>,3|C<4>,3|H<1>}	110.4090	0.000	1	110.4090	0.000	1	110.4090	0.000	1	109.4073	0.448	4	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:2:1:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(C[5]C[5]H)	C[5,6](C[5,6]C[5]C[6])(C[6]N[5,6]HH)(O[5]C[5])(H)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(C[5]C[5]H){1|C<4>,1|N<3>,5|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]N[5,6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(H){2|C<4>,3|H<1>}	109.0440	0.000	1	109.0440	0.000	1	109.0440	0.000	1	109.4073	0.448	4	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:2:2:	3:3:1:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]O)(C[5]C[5]H)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O[5]C[5])(OH)	C[5](C[5,6]C[5,6]2)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]O)(C[5]C[5]H){1|O<1>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O[5]C[5])(OH){1|O<1>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]2)(C[5]O[5]O)(H){1|H<1>,1|O<2>,3|C<4>}	109.6820	0.000	1	109.6820	0.000	1	109.6820	0.000	1	109.0083	0.542	4	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:2:2:	3:3:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]CC)(C[5]C[5]H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(H)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]CC)(C[5]C[5]H){1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(H){1|O<2>,4|C<4>}	109.1925	0.128	2	109.1925	0.016	2	108.7837	0.510	3	109.0083	0.542	4	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:2:2:	3:3:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]CH)(C[5]C[5]H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OC)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(H)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]CH)(C[5]C[5]H){1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OC){1|O<1>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(H){1|H<1>,1|O<2>,3|C<4>}	107.9660	0.000	1	107.9660	0.000	1	108.7837	0.510	3	109.0083	0.542	4	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:2:2:	3:3:4:	C[3,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[3,6]C[3,6,6]O[3]H)(C[5,6]C[6]O[5]O)(C[5]C[5]C)	C[5,6](C[5,6]C[3,6]C[5])(C[6]C[6,6]HO)(O[5]C[5])(OC[6a])	C[5](C[5,6]C[3,6]C[5,6])(C[5]O[5]O)(CH3)	C[5,6](C[3,6]C[3,6,6]O[3]H)(C[5,6]C[6]O[5]O)(C[5]C[5]C){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[3,6]C[5])(C[6]C[6,6]HO)(O[5]C[5])(OC[6a]){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[3,6]C[5,6])(C[5]O[5]O)(CH3){1|H<1>,2|C<4>,2|O<2>}	110.8270	0.000	1	110.8270	0.000	1	110.8270	0.000	1	110.1406	0.453	13	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:2:2:	3:3:4:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[5,6]C[6]O[5]O)(C[5]C[5]C)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(O[5]C[5])(OC)	C[5](C[5,6]C[5,6]2)(C[5]O[5]O)(CH3)	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[5,6]C[6]O[5]O)(C[5]C[5]C){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(O[5]C[5])(OC){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]2)(C[5]O[5]O)(CH3){1|H<1>,2|C<4>,2|O<2>}	110.0630	0.000	1	110.0630	0.000	1	110.5335	0.443	2	110.1406	0.453	13	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:2:2:	3:3:4:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[5,6]C[6]O[5]O)(C[5]C[5]C)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(O[5]C[5])(OH)	C[5](C[5,6]C[5,6]2)(C[5]O[5]O)(CH3)	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[5,6]C[6]O[5]O)(C[5]C[5]C){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(O[5]C[5])(OH){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]2)(C[5]O[5]O)(CH3){1|H<1>,2|C<4>,2|O<2>}	111.0040	0.000	1	111.0040	0.000	1	110.5335	0.443	2	110.1406	0.453	13	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:2:2:	3:3:4:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[5,6]HO)(C[5]C[5]C)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]HH)(O[5]C[5])(OC[5])	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[5,6]HO)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]HH)(O[5]C[5])(OC[5]){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3){1|H<1>,2|C<4>,2|O<2>}	109.8860	0.000	1	109.8860	0.000	1	109.9934	0.444	10	110.1406	0.453	13	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:2:2:	3:3:4:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HH)(C[5]C[5]C)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HH)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3){1|O<2>,2|C<4>,2|H<1>}	109.7770	0.000	1	109.9305	0.684	6	109.9934	0.444	10	110.1406	0.453	13	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:2:2:	3:3:4:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HH)(C[5]C[5]C)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HH)(C[5]C[5]C){1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3){1|O<2>,2|C<4>,2|H<1>}	111.1130	0.000	1	109.9305	0.684	6	109.9934	0.444	10	110.1406	0.453	13	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:2:2:	3:3:4:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HH)(C[5]C[5]C)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HH)(C[5]C[5]C){1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH){1|O<1>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3){1|O<2>,2|C<4>,2|H<1>}	109.5390	1.281	2	109.9305	0.684	6	109.9934	0.444	10	110.1406	0.453	13	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:2:2:	3:3:4:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HH)(C[5]C[5]C)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HH)(C[5]C[5]C){1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3){1|O<2>,2|C<4>,2|H<1>}	109.8075	0.135	2	109.9305	0.684	6	109.9934	0.444	10	110.1406	0.453	13	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:2:2:	3:3:4:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HO)(C[5]C[5]C)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HO)(C[5]C[5]C){1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3){1|H<1>,2|C<4>,2|O<2>}	109.6920	0.000	1	110.1550	0.232	3	109.9934	0.444	10	110.1406	0.453	13	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:2:2:	3:3:4:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HO)(C[5]C[5]C)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HO)(C[5]C[5]C){1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3){1|H<1>,2|C<4>,2|O<2>}	110.3865	0.378	2	110.1550	0.232	3	109.9934	0.444	10	110.1406	0.453	13	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:2:2:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]CO)(C[5]C[5]H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OC)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HO)(H)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]CO)(C[5]C[5]H){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OC){2|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HO)(H){2|O<2>,3|C<4>}	109.2470	0.064	2	109.2470	0.004	2	109.2470	0.004	2	109.2470	0.004	2	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:2:3:	3:3:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:O[5]-2:N-3:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[5,6]C[6]O[5]N)(C[6]C[6]HH)(C[5]C[5]H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(NCC)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(H)	C[5,6](C[5,6]C[6]O[5]N)(C[6]C[6]HH)(C[5]C[5]H){1|C<4>,1|O<1>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(NCC){1|C<4>,1|O<1>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(H){1|N<3>,2|C<4>,2|H<1>}	109.8160	0.000	1	109.8160	0.000	1	109.8160	0.000	1	109.8160	0.000	1	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:2:4:	3:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-3:C[6]-4:N[5]-2:C-4:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]N[5]C)(C[5]C[5]H)	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(N[5]C[5])(CCHH)	C[5](C[5,6]C[5,6]C[6,6])(C[5]N[5]H)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]N[5]C)(C[5]C[5]H){3|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(N[5]C[5])(CCHH){3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6])(C[5]N[5]H)(H){5|C<4>}	107.1480	0.402	2	107.1480	0.161	2	107.1480	0.161	2	107.1480	0.161	2	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:2:4:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[5]-4:O[6]-2:C-4:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[5]O[6]C)(C[6]O[6]HH)(C[5]C[5]H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[6])(CH3)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HO)(H)	C[5,6](C[5,6]C[5]O[6]C)(C[6]O[6]HH)(C[5]C[5]H){1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[6])(CH3){2|C<4>,2|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HO)(H){1|C<4>,2|O<2>,4|H<1>}	111.3570	0.000	1	111.3570	0.000	1	111.3570	0.000	1	111.3570	0.000	1	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6,6]-4:C[5]-3:	C[5,6]-3:C[6]-4:C[5]-3:H-1:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]3)(C[5]C[5]H)	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6a]N[6]H)(C[5]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]3)(C[5]C[5]H){1|N<3>,2|C<3>,2|C<4>,8|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6a]N[6]H)(C[5]C[5]H)(H){2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]H)(H){2|H<1>,4|C<4>}	108.3080	0.000	1	108.3080	0.000	1	108.3080	0.000	1	108.3080	0.000	1	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:3:1:	3:3:2:	C[5,6,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-3:P[5]-4:C[6]-3:H-1:	C[5,6]-3:C[6a]-3:O[5]-2:	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[6]P[5]H)(C[5]C[6a]O[5])	C[5,6](C[5,6]C[5,6,6]C[5])(P[5]O[5]MoC)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6,6]C[5,6])(C[6a]C[6a]2)(O[5]P[5])	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[6]P[5]H)(C[5]C[6a]O[5]){1|Mo<6>,1|C<4>,1|O<2>,1|P<4>,2|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6,6]C[5])(P[5]O[5]MoC)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6,6]C[5,6])(C[6a]C[6a]2)(O[5]P[5]){1|Mo<6>,3|C<3>,3|C<4>,4|H<1>}	113.4640	0.000	1	113.4640	0.000	1	113.4640	0.000	1	113.4640	0.000	1	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:3:1:	3:4:1:	C[3,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-3:C[6]-4:N[5]-3:H-1:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[6]N[5]H)(C[5]C[5]H)	C[5,6](C[5,6]C[3,6]C[5])(C[6]C[6]HH)(N[5]C[5]S)(H)	C[5](C[5,6]C[3,6]C[5,6])(C[5]N[5]HH)(H)	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[6]N[5]H)(C[5]C[5]H){1|C<4>,1|S<4>,5|H<1>}	C[5,6](C[5,6]C[3,6]C[5])(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<4>,2|O<2>,5|H<1>}	C[5](C[5,6]C[3,6]C[5,6])(C[5]N[5]HH)(H){1|O<2>,1|S<4>,2|C<4>,2|H<1>}	112.3665	0.435	2	112.3665	0.189	2	112.3665	0.189	2	112.1885	0.151	4	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:3:1:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:N[5]-3:H-1:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(C[5]C[5]H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]S)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]N[5]H)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(C[5]C[5]H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<3>,1|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]N[5]H)(H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	111.7490	0.000	1	111.7490	0.000	1	112.0105	0.137	2	112.1885	0.151	4	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:3:1:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:N[5]-3:H-1:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(C[5]C[5]H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]S)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]CH)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(C[5]C[5]H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<3>,1|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]CH)(H){1|S<4>,2|C<4>,3|H<1>}	112.2720	0.000	1	112.2720	0.000	1	112.0105	0.137	2	112.1885	0.151	4	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:3:4:	3:3:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]C)(CCHH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]C)(CCHH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(H){1|H<1>,3|C<3>,3|C<4>}	113.2400	0.000	1	113.2400	0.000	1	113.2400	0.000	1	113.2400	0.000	1	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:4:1:	3:3:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]H){1|O<1>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(H){2|C<4>,5|H<1>}	112.4220	0.000	1	112.4220	0.000	1	112.6957	0.057	3	112.6226	0.038	5	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:4:1:	3:3:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<4>,1|O<1>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(H){2|C<4>,5|H<1>}	112.8325	0.039	2	112.8325	0.002	2	112.6957	0.057	3	112.6226	0.038	5	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[6,6]C[6,6]N[5,6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]H)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]O)(H)	C[5,6](C[6,6]C[6,6]N[5,6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]O)(H){1|N<3>,2|C<4>,4|H<1>}	112.5130	0.000	2	112.5130	0.000	2	112.5130	0.000	2	112.6226	0.038	5	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:4:1:	3:3:3:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]N[6]H)(C[5]C[6a]C[5])	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]N[6]H)(C[5]C[6a]C[5]){1|O<1>,1|O<2>,1|S<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]HH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	113.9570	0.000	1	113.9570	0.000	1	113.9570	0.000	1	113.0145	1.777	2	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:4:1:	3:3:3:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]){1|O<1>,2|C<4>,3|C<3>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6,6])(C[6a]C[6a]2)(C[5]C[5]O){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	112.0720	0.000	1	112.0720	0.000	1	112.0720	0.000	1	113.0145	1.777	2	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:4:1:	3:3:4:	C[4,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[4,6]C[4,6]N[4]H)(C[5,6]C[5]C[6]H)(C[5]C[5]C)	C[5,6](C[5,6]C[4,6]C[5])(C[5]C[5]HH)(C[6]N[6]HH)(H)	C[5](C[5,6]C[4,6]C[5,6])(C[5]C[5]O)(CH3)	C[5,6](C[4,6]C[4,6]N[4]H)(C[5,6]C[5]C[6]H)(C[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[5,6](C[5,6]C[4,6]C[5])(C[5]C[5]HH)(C[6]N[6]HH)(H){1|H<1>,1|N<3>,1|O<1>,1|S<4>,2|C<4>}	C[5](C[5,6]C[4,6]C[5,6])(C[5]C[5]O)(CH3){1|N<3>,2|C<4>,4|H<1>}	113.8460	0.000	1	113.8460	0.000	1	113.8460	0.000	1	114.0228	0.313	5	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:4:1:	3:3:4:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CO)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CO)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CH3){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	114.5710	0.000	1	114.5710	0.000	1	113.8615	1.007	2	114.0228	0.313	5	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:4:1:	3:3:4:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C){1|C<3>,1|N<3>,1|O<1>,5|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(H){1|O<1>,1|S<4>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CH3){2|C<4>,5|H<1>}	113.1520	0.000	1	113.1520	0.000	1	113.8615	1.007	2	114.0228	0.313	5	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:4:1:	3:3:4:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[5]-3:Si-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]Si)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]N)(SiC3)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]Si){1|C<2>,1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CC)(C[6]C[6]HH)(H){1|Si<4>,1|C<4>,1|N<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]N)(SiC3){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	114.2725	0.192	2	114.2725	0.037	2	114.2725	0.037	2	114.0228	0.313	5	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:4:1:	3:4:1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[6,6]C[6,6]N[5,6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]H)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)	C[5,6](C[6,6]C[6,6]N[5,6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]H){4|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H){1|N<3>,2|C<4>,4|H<1>}	112.3130	0.000	1	112.0300	0.160	2	112.0300	0.160	2	112.0300	0.160	2	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:4:1:	3:4:1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[6,6]C[6,6]N[5,6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]H)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)	C[5,6](C[6,6]C[6,6]N[5,6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]H){5|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H){1|N<4>,2|C<4>,4|H<1>}	111.7470	0.000	1	112.0300	0.160	2	112.0300	0.160	2	112.0300	0.160	2	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:4:2:	3:3:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:C-4:O[5]-2:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(C[5]C[5]H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(CC[6a]HN)(O[5]C[5])	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(H)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(C[5]C[5]H){1|C<4>,1|O<1>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(CC[6a]HN)(O[5]C[5]){1|C<4>,1|O<1>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(H){2|H<1>,3|C<4>}	109.1940	0.000	1	109.1940	0.000	1	109.1940	0.000	1	109.1940	0.000	1	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:4:3:	3:4:1:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-3:C[6]-4:C[5]-4:C-3:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(C[5]C[5]CH)(COO)	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(C[5]C[5]CH)(COO){1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(H){1|C<3>,1|H<1>,5|C<4>}	111.7420	0.000	1	111.6720	0.010	2	111.6720	0.010	2	111.4657	0.133	3	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:4:3:	3:4:1:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-3:C[6]-4:C[5]-4:C-3:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(C[5]C[5]CH)(COO)	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|Cl<1>,1|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(C[5]C[5]CH)(COO){1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(H){1|C<3>,1|H<1>,5|C<4>}	111.6020	0.000	1	111.6720	0.010	2	111.6720	0.010	2	111.4657	0.133	3	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:4:3:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:C-3:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(COO)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]H){1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(COO){1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H){1|C<3>,1|H<1>,5|C<4>}	111.0530	0.000	1	111.0530	0.000	1	111.0530	0.000	1	111.4657	0.133	3	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:4:4:	3:3:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]H){1|O<1>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(H){1|H<1>,6|C<4>}	112.0130	0.000	1	112.0130	0.000	1	112.3915	0.109	4	112.3487	0.070	6	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:4:4:	3:3:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(H){1|C<3>,1|O<2>,5|C<4>}	112.4150	0.267	2	112.4150	0.071	2	112.3915	0.109	4	112.3487	0.070	6	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:4:4:	3:3:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(H){2|H<1>,5|C<4>}	112.7230	0.000	1	112.7230	0.000	1	112.3915	0.109	4	112.3487	0.070	6	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:4:4:	3:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]O)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]O)(H){1|C<3>,2|H<1>,4|C<4>}	112.2630	0.038	2	112.2630	0.001	2	112.2630	0.001	2	112.3487	0.070	6	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:4:4:	3:3:4:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]C)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CO)(CH3)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CO)(CH3){1|O<1>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CH3){3|C<4>,4|H<1>}	113.9200	0.000	1	113.9200	0.000	1	113.9200	0.000	1	113.9200	0.000	1	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:4:4:	3:4:1:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	111.7825	0.330	2	112.1440	0.447	3	112.1440	0.447	3	111.2468	0.651	14	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:4:4:	3:4:1:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H){2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	112.8670	0.000	1	112.1440	0.447	3	112.1440	0.447	3	111.2468	0.651	14	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:4:4:	3:4:1:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-3:C[6]-4:C[5]-4:C-4:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(C[5]C[5]CH)(CCHO)	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|O<2>,3|C<4>,8|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(C[5]C[5]CH)(CCHO){2|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(H){1|H<1>,6|C<4>}	110.2470	0.000	1	110.2470	0.000	1	110.2470	0.000	1	111.2468	0.651	14	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:4:4:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CCHH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]H){1|C<4>,2|O<2>,6|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CCHH){1|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H){3|C<4>,4|H<1>}	111.5110	0.325	2	111.5110	0.106	2	111.2837	0.208	3	111.2468	0.651	14	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:4:4:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(CCHH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]H){1|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(CCHH){1|O<1>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H){1|H<1>,6|C<4>}	110.8290	0.000	1	110.8290	0.000	1	111.2837	0.208	3	111.2468	0.651	14	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:4:4:	3:4:1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[6,6]C[3x6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6,6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)	C[5,6](C[6,6]C[3x6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6,6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H){1|H<1>,2|C<3>,4|C<4>}	111.7910	0.000	1	111.7910	0.000	1	110.9893	0.546	7	111.2468	0.651	14	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:4:4:	3:4:1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H){1|C<3>,1|H<1>,5|C<4>}	111.7110	0.000	1	110.7714	0.578	5	110.9893	0.546	7	111.2468	0.651	14	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:4:4:	3:4:1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H){1|C<3>,1|H<1>,5|C<4>}	110.4857	0.768	3	110.7714	0.578	5	110.9893	0.546	7	111.2468	0.651	14	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:4:4:	3:4:1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H){1|C<3>,1|H<1>,5|C<4>}	110.6890	0.000	1	110.7714	0.578	5	110.9893	0.546	7	111.2468	0.651	14	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:4:4:	3:4:1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HO)(CH3)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HO)(CH3){1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H){1|O<2>,2|H<1>,4|C<4>}	111.2770	0.000	1	111.2770	0.000	1	110.9893	0.546	7	111.2468	0.651	14	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:4:4:	3:4:3:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-3:C[5]-4:C-3:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]C)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(CH3)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)(CHO)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]C){1|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(CH3){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)(CHO){3|C<4>,4|H<1>}	112.3680	0.000	1	112.3680	0.000	1	112.3680	0.000	1	112.3680	0.000	1	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:4:4:	3:4:4:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-3:C[5]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]C)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]C){3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH){3|H<1>,4|C<4>}	113.1210	0.000	1	113.1210	0.000	1	113.1210	0.000	1	112.5445	0.665	2	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	3:4:4:4:	3:4:4:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-3:C[5]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]C)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(CCCH)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]C){4|C<4>,8|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(CCCH){3|H<1>,4|C<4>}	111.9680	0.000	1	111.9680	0.000	1	111.9680	0.000	1	112.5445	0.665	2	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	4:3:2:1:	3:3:3:	C[5,6]-4:C[6]-4:C[5]-3:	C[6,6]-4:C[5,6]-3:O[5]-2:H-1:	C[5,6]-3:C[5]-3:C-3:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HO)(C[5]C[5]C)	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[5]C[6])(O[5]C[5])(H)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(COO)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HO)(C[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[5]C[6])(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(COO){1|C<4>,2|H<1>,2|O<2>}	110.0320	0.000	1	110.0320	0.000	1	110.0320	0.000	1	110.0320	0.000	1	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	4:3:2:2:	3:3:3:	C[5,6]-4:C[6]-4:C[5]-3:	C[6,6]-4:C[5,6]-3:O[5]-2:O-2:	C[5,6]-3:C[5]-3:C-3:	C[5,6](C[5,6]C[6,6]O[5]O)(C[6]O[6]HO)(C[5]C[5]C)	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[5]C[6])(O[5]C[5])(OH)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(COO)	C[5,6](C[5,6]C[6,6]O[5]O)(C[6]O[6]HO)(C[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[5]C[6])(O[5]C[5])(OH){1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(COO){1|C<4>,1|H<1>,3|O<2>}	109.4630	0.000	2	109.4630	0.000	2	109.4630	0.000	2	109.4630	0.000	2	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	4:3:3:1:	3:3:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[5,6]-3:H-1:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[6]N[5,6]CC)(C[5]C[5,6a]H)	C[5,6](C[5,6]C[5,6a]O[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(H)	C[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[5,6]H)(C[6]N[5,6]CC)(C[5]C[5,6a]H){1|H<1>,1|O<2>,4|C<3>}	C[5,6](C[5,6]C[5,6a]O[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(H){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	110.2020	0.000	1	110.2020	0.000	1	110.2020	0.000	1	110.2020	0.000	1	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	4:3:3:4:	3:3:2:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6]-3:C[6]-3:C-4:	C[5,6]-3:C[5]-3:O-2:	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6])(C[6]C[6]O)(CCHH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5,6]O)(OH)	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[5]C[5]O){1|H<1>,2|O<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6])(C[6]C[6]O)(CCHH){1|N<3>,1|O<1>,1|O<2>,2|C<4>,8|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5,6]O)(OH){1|C<3>,2|H<1>,4|C<4>}	112.8450	0.000	1	112.8450	0.000	1	112.8450	0.000	1	112.8450	0.000	1	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	4:3:4:1:	3:3:1:	C[5,6]-4:C[6]-4:C[5]-3:	P[5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[5,6]C[6]P[5]H)(C[6]C[6]HH)(C[5]C[5]H)	C[5,6](P[5]C[6a]C[5]C)(C[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]P[5]B)(H)	C[5,6](C[5,6]C[6]P[5]H)(C[6]C[6]HH)(C[5]C[5]H){1|B<3>,1|C<2>,1|C<3>,1|C<4>,4|H<1>}	C[5,6](P[5]C[6a]C[5]C)(C[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|B<3>,1|C<4>,2|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]P[5]B)(H){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	115.9540	0.000	1	115.9540	0.000	1	115.9540	0.000	1	115.9540	0.000	1	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	4:3:4:1:	3:3:4:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,5,6]HH)(C[5]C[5]C)	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CH3)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,5,6]HH)(C[5]C[5]C){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H){2|H<1>,2|O<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CH3){2|C<4>,5|H<1>}	113.2410	0.000	1	113.2440	0.000	2	113.2440	0.000	2	113.5043	0.203	3	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	4:3:4:1:	3:3:4:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,5,6]HH)(C[5]C[5]C)	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CH3)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,5,6]HH)(C[5]C[5]C){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|O<1>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CH3){2|C<4>,5|H<1>}	113.2470	0.000	1	113.2440	0.000	2	113.2440	0.000	2	113.5043	0.203	3	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	4:3:4:1:	3:3:4:	C[5,6]-4:C[6]-4:C[5]-3:	C[6,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CCCH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H){2|O<1>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CCCH){2|C<4>,5|H<1>}	114.0250	0.000	1	114.0250	0.000	1	114.0250	0.000	1	113.5043	0.203	3	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	4:3:4:1:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]H)	C[5,6](C[5,6]C[5,6a]C[5]O[6])(C[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]C[5]O[6])(C[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H){2|C<4>,5|H<1>}	112.2720	0.000	1	112.2720	0.000	1	112.2720	0.000	1	112.2720	0.000	1	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	4:3:4:1:	3:4:4:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-3:C[5]-4:C-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]C)	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]C){1|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|O<2>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3){1|O<2>,2|C<4>,4|H<1>}	111.4150	0.000	1	111.4150	0.000	1	111.4150	0.000	1	111.4150	0.000	1	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	4:3:4:2:	3:3:4:	C[5,6]-4:C[6,6]-4:C[5]-3:	C[5,6]-4:C[5,6]-3:C[6]-4:O[5]-2:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[5,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]H)(C[5]C[5]C)	C[5,6](C[5,6]C[5,6]C[6]O[5])(C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O[5]C[5])	C[5](C[5,6]C[5,6]C[6,6])(C[5]O[5]O)(CH3)	C[5,6](C[5,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]H)(C[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]O[5])(C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O[5]C[5]){1|O<1>,3|C<3>,4|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6,6])(C[5]O[5]O)(CH3){1|C<3>,1|H<1>,3|C<4>}	109.9230	0.018	2	109.9230	0.000	2	109.9230	0.000	2	109.9230	0.000	2	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	4:3:4:4:	3:3:4:	C[5,6]-4:C[6]-4:C[5]-3:	C[6,6]-4:C[5,6]-3:C[5]-4:C-4:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(CH3)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CCCH)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(CH3){1|O<1>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CCCH){3|C<4>,4|H<1>}	114.2990	0.000	1	114.2990	0.000	1	114.2990	0.000	1	114.2990	0.000	1	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	4:3:4:4:	3:4:1:	C[5,6]-4:C[6,6]-4:C[5]-3:	C[5,5]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6]-3:C[5,5]-4:H-1:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]H)	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6,6]C[5])(C[6]C[6]HO)(CH3)	C[5](C[5,6]C[5,6]C[6,6])(C[5,5]C[5,5]O[5]H)(H)	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]H){3|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6,6]C[5])(C[6]C[6]HO)(CH3){1|O<2>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6])(C[5,5]C[5,5]O[5]H)(H){1|H<1>,1|O<2>,6|C<4>}	112.9770	0.000	1	112.9770	0.000	1	112.9770	0.000	1	112.9770	0.000	1	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	4:3:4:4:	3:4:4:	C[5,6]-4:C[6]-4:C[5]-3:	C[6,6]-4:C[5,6]-3:C[5]-4:C-4:	C[5,6]-3:C[5]-4:C-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(CH3)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C){1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(CH3){4|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH){3|C<4>,4|H<1>}	114.2950	0.000	1	114.2950	0.000	1	113.6340	0.874	2	113.6340	0.874	2	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	4:3:4:4:	3:4:4:	C[5,6]-4:C[6]-4:C[5]-3:	C[6,6]-4:C[5,6]-3:C[5]-4:C-4:	C[5,6]-3:C[5]-4:C-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(CH3)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C){2|C<4>,7|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(CH3){5|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH){3|C<4>,4|H<1>}	112.9730	0.000	1	112.9730	0.000	1	113.6340	0.874	2	113.6340	0.874	2	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	4:3:4:4:	4:3:1:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]C)(C[5]C[5,6]H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]O[6]H)(C[5,6]C[5,6]2)(H)	C[5,6](C[5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]C)(C[5]C[5,6]H){1|O<1>,1|O<2>,5|H<1>,7|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5,6]C[5,6]2)(H){1|C<3>,7|C<4>}	110.7425	0.588	2	110.7425	0.345	2	110.7425	0.345	2	110.7425	0.345	2	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5]	4:4:3:	4:4:3:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,6]C[5,6]2H)(C[6]C[5,6]CC)(C[5]C[5,6]H)	C[5,6](C[5,6]C[5,6]B[6]H)(C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])(H)	C[5](C[5,6]C[5,6]P[6]H)(C[5,6]C[5,6]C[6])(H)	C[5,6](C[5,6]C[5,6]2H)(C[6]C[5,6]CC)(C[5]C[5,6]H){1|B<4>,1|P<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]B[6]H)(C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])(H){1|P<4>,3|H<1>,4|C<3>,4|C<4>}	C[5](C[5,6]C[5,6]P[6]H)(C[5,6]C[5,6]C[6])(H){1|B<4>,2|C<3>,2|H<1>,5|C<4>}	111.1020	0.000	1	111.1020	0.000	1	111.1020	0.000	1	111.1020	0.000	1	110.6858	4.714	276	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6,6]	3:4:3:	3:3:1:1:	3:4:3:	C[5,6,6]-3:C[5]-4:C[6]-3:	C[5,6a]-3:C[5,6]-3:H-1:H-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6]-3:	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5]C[5,6a]HH)(C[6]C[6]H)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6])(H)2	C[5,6,6](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6]C[5,6,6]C[5,6]Hf)(C[5,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5]C[5,6a]HH)(C[6]C[6]H){1|Hf<12>,1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6])(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6]C[5,6,6]C[5,6]Hf)(C[5,6]C[5]C[6]){2|C<4>,3|H<1>,4|C<3>}	107.3070	0.000	1	107.3070	0.000	1	108.6360	1.326	3	108.6360	1.326	3	110.5930	12.572	7	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6,6]	3:4:3:	3:3:1:1:	3:4:3:	C[5,6,6]-3:C[5]-4:C[6]-3:	C[5,6a]-3:C[5,6]-3:H-1:H-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6]-3:	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5]C[5,6a]HH)(C[6]C[6]O)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6])(H)2	C[5,6,6](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6]C[5,6,6a]C[5,6]O)(C[5,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5]C[5,6a]HH)(C[6]C[6]O){1|H<1>,1|O<2>,4|C<3>}	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6]C[5,6,6a]C[5,6]O)(C[5,6]C[5]C[6]){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	109.3005	0.057	2	109.3005	0.003	2	108.6360	1.326	3	108.6360	1.326	3	110.5930	12.572	7	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6,6]	3:4:3:	3:4:1:1:	4:3:3:	C[5,6,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[6,6]-3:	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]C[6]H)	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6])(C[6,6]C[6]2)	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]C[6]H){4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6])(C[6,6]C[6]2){11|H<1>,1|C<4>,1|N<3>}	107.3010	0.000	1	107.3010	0.000	1	107.3010	0.000	1	107.3010	0.000	1	110.5930	12.572	7	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6,6]	3:4:4:	3:2:1:1:	3:4:4:	C[5,6,6]-3:C[5,6]-4:C[5]-4:	C[5,6]-3:S[5]-2:H-1:H-1:	C[5,6]-3:C[5,6]-4:C[6,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5,6]C[5,6]C[5]H)(C[5]S[5]HH)	C[5](C[5,6]C[5,6,6]C[5,6])(S[5]C[5,6])(H)2	C[5,6,6](C[5,6]C[5,6]C[5])(C[5,6]C[6]S[5]H)(C[6,6]C[6]2H)	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5,6]C[5,6]C[5]H)(C[5]S[5]HH){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6,6]C[5,6])(S[5]C[5,6])(H)2{2|H<1>,4|C<4>}	C[5,6,6](C[5,6]C[5,6]C[5])(C[5,6]C[6]S[5]H)(C[6,6]C[6]2H){1|C<3>,3|C<4>,8|H<1>}	115.4350	0.000	1	115.4350	0.000	1	115.4350	0.000	1	115.4350	0.000	1	110.5930	12.572	7	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6,6]	3:4:4:	3:2:1:1:	4:4:3:	C[5,6,6]-3:C[6]-4:C[5]-4:	C[5,6]-3:S[5]-2:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-3:	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[5,6]C[6a]H)(C[5]S[5]HH)	C[5](C[5,6]C[5,6,6]C[6])(S[5]C[5,6])(H)2	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[6]S[5]H)(C[5,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[5,6]C[6a]H)(C[5]S[5]HH){3|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6])(S[5]C[5,6])(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[6]S[5]H)(C[5,6]C[5]C[6]){2|C<3>,2|C<4>,8|H<1>}	115.7260	0.000	1	115.7260	0.000	1	115.7260	0.000	1	115.7260	0.000	1	110.5930	12.572	7	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6,6]	3:4:4:	3:4:1:1:	4:3:3:	C[5,6,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:N[6,6]-3:	C[5,6](C[5,6,6]C[5,6]N[6,6])(C[5]C[5]HH)(C[6]C[6]HH)	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6])(N[6,6]C[6]2)	C[5,6](C[5,6,6]C[5,6]N[6,6])(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6])(N[6,6]C[6]2){10|H<1>,1|O<1>,2|C<4>}	109.7810	0.000	1	109.7810	0.000	1	109.7810	0.000	1	109.7810	0.000	1	110.5930	12.572	7	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:2:4:	3:2:1:1:	3:4:3:	C[5,6]-3:O[6]-2:C[5]-4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]O[5]HH)	C[5](C[5,6]C[5,6]O[6])(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]O[6])(C[6]C[6,6a]CH)(C[5]O[5]O)	C[5,6](C[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]O[5]HH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6]C[5,6]O[6])(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>}	C[5,6](C[5,6]C[5]O[6])(C[6]C[6,6a]CH)(C[5]O[5]O){2|C<3>,2|H<1>}	111.5590	0.000	1	111.5590	0.000	1	111.5590	0.000	1	111.5590	0.000	1	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:2:4:	3:4:1:1:	3:4:3:	C[5,6]-3:O[6]-2:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]C[5]HH)	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]O[6])(C[6]C[6,6a]HH)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]C[5]HH){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[5,6](C[5,6]C[5]O[6])(C[6]C[6,6a]HH)(C[5]C[5]O){2|C<3>,4|H<1>}	115.7720	0.000	1	115.7720	0.000	1	115.7720	0.000	1	115.7720	0.000	1	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:2:4:	3:4:1:1:	4:3:3:	C[5,6]-3:O[6]-2:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[5,6]C[5])(O[6]C[5a,6])(C[5]C[5]HH)	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5a,6]C[5]2)(C[5,6]C[5]O[6])(C[5]C[5]O)	C[5,6](C[5,6]C[5,6]C[5])(O[6]C[5a,6])(C[5]C[5]HH){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[5,6](C[5,6]C[5a,6]C[5]2)(C[5,6]C[5]O[6])(C[5]C[5]O){2|O<1>,4|C<3>,4|H<1>}	114.8630	0.000	1	114.8630	0.000	1	114.8630	0.000	1	114.8630	0.000	1	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:3:4:	3:2:1:1:	3:4:3:	C[5,6]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6])(C[5]O[5]HH)	C[5](C[5,6]C[5,6]2)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(C[5]O[5]O)	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6])(C[5]O[5]HH){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]2)(O[5]C[5])(H)2{1|C<3>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,1|C<4>,4|H<1>}	109.4940	0.000	1	109.4940	0.000	1	109.4940	0.000	1	109.4220	0.004	3	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:3:4:	3:2:1:1:	3:4:3:	C[5a,6]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5]C[6])(C[5]O[5]HH)	C[5](C[5,6]C[5a,6]C[5,6])(O[5]C[5])(H)2	C[5,6](C[5,6]C[5a,6]C[5])(C[6]C[6]SiH)(C[5]O[5]O)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5]C[6])(C[5]O[5]HH){1|Si<4>,1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5a,6]C[5,6])(O[5]C[5])(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5,6](C[5,6]C[5a,6]C[5])(C[6]C[6]SiH)(C[5]O[5]O){2|C<3>,4|H<1>}	109.3700	0.000	1	109.3700	0.000	1	109.3700	0.000	1	109.4220	0.004	3	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:3:4:	3:2:1:1:	3:4:3:	C[6,6]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6])(C[5]O[5]HH)	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(H)2	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(C[5]O[5]O)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6])(C[5]O[5]HH){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(H)2{1|C<3>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,1|C<4>,4|H<1>}	109.4020	0.000	1	109.4020	0.000	1	109.4020	0.000	1	109.4220	0.004	3	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:3:4:	3:2:1:1:	4:3:3:	C[5,6]-3:N[6]-3:C[5]-4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]O[5]HH)	C[5](C[5,6]C[5,6]N[6])(O[5]C[5])(H)2	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6])(C[5]O[5]O)	C[5,6](C[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]O[5]HH){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5,6]N[6])(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6])(C[5]O[5]O){3|H<1>,4|C<3>}	110.5416	1.049	5	110.5416	1.100	5	110.5416	1.100	5	110.6147	0.912	6	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:3:4:	3:2:1:1:	4:3:3:	N[6]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[6]-4:C[5,6]-3:C[5]-3:	C[5,6](N[6]C[6,6]C[6a])(C[5,6]C[5]C[6])(C[5]O[5]HH)	C[5](C[5,6]C[5,6]N[6])(O[5]C[5])(H)2	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]N[6])(C[5]O[5]O)	C[5,6](N[6]C[6,6]C[6a])(C[5,6]C[5]C[6])(C[5]O[5]HH){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6]N[6])(O[5]C[5])(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]N[6])(C[5]O[5]O){2|H<1>,5|C<3>}	110.9800	0.000	1	110.9800	0.000	1	110.9800	0.000	1	110.6147	0.912	6	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:3:4:	3:2:4:4:	3:3:3:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:O[5]-2:C-4:C-4:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6,6a]O)(C[5]O[5]CC)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(CH3)2	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5]C[6])(C[5]O[5]O)	C[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6,6a]O)(C[5]O[5]CC){1|O<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(CH3)2{2|C<3>,2|O<1>}	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5]C[6])(C[5]O[5]O){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	112.0990	0.843	2	112.0990	0.710	2	112.0990	0.710	2	112.0990	0.710	2	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:3:4:	3:3:1:1:	3:4:3:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]C)(C[5]N[5]HH)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]C)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]C)(C[5]N[5]HH){1|C<3>,1|S<4>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]C){1|S<4>,2|C<4>,4|H<1>}	108.6990	0.000	1	108.6990	0.000	1	108.6990	0.000	1	108.2763	0.816	4	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:3:4:	3:3:1:1:	3:4:3:	C[6,6]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6])(C[5]C[5]HH)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]O)(H)2	C[5,6](C[5,6]C[6,6]C[5])(C[6]N[6]HH)(C[5]C[5]H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6])(C[5]C[5]HH){1|C<3>,1|N<3>,1|O<1>,1|O<2>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]O)(H)2{1|H<1>,3|C<4>}	C[5,6](C[5,6]C[6,6]C[5])(C[6]N[6]HH)(C[5]C[5]H){1|O<1>,1|S<3>,2|C<4>,2|H<1>}	107.5695	0.537	2	107.5695	0.288	2	107.5695	0.288	2	108.2763	0.816	4	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:3:4:	3:3:1:1:	3:4:3:	C[6,6a]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]N[5]HH)	C[5](C[5,6]C[6,6a]C[5,6])(N[5]C[5]C)(H)2	C[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6]SiH)(C[5]N[5]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]N[5]HH){1|Si<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5,6]C[6,6a]C[5,6])(N[5]C[5]C)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6]SiH)(C[5]N[5]O){1|C<4>,2|C<3>,4|H<1>}	109.2670	0.000	1	109.2670	0.000	1	109.2670	0.000	1	108.2763	0.816	4	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:3:4:	3:3:2:2:	4:3:3:	C[6]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-3:C-2:C-2:	C[6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[6]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]CC)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CN)2	C[5,6](C[6]C[6,6a]C[6a]2)(C[5,6]C[5]C[6])(C[5]C[5]C)	C[5,6](C[6]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]CC){1|C<2>,1|O<1>,6|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CN)2{1|C<2>,1|C<4>,2|C<3>}	C[5,6](C[6]C[6,6a]C[6a]2)(C[5,6]C[5]C[6])(C[5]C[5]C){1|O<1>,2|C<2>,7|C<3>}	108.3503	0.154	3	108.3503	0.024	3	108.3503	0.024	3	108.3503	0.024	3	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:3:4:	3:3:4:1:	3:3:3:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-3:C-4:H-1:	C[5,6]-3:C[6]-3:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]C)(C[5]C[5]CH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(CH3)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]C)(C[5]C[5]C)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]C)(C[5]C[5]CH){1|Ru<8>,5|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(CH3)(H){1|C<3>,3|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]C)(C[5]C[5]C){1|Ru<8>,1|H<1>,5|C<4>}	107.5040	0.000	1	107.5040	0.000	1	107.5040	0.000	1	107.5040	0.000	1	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:3:4:	3:3:4:1:	3:3:4:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:N[5]-3:C-4:H-1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]N[5]CH)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]H)(CC3)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]N[5]CC)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]N[5]CH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]H)(CC3)(H){1|C<4>,1|O<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]N[5]CC){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	111.5940	0.000	1	111.5940	0.000	1	111.5940	0.000	1	111.5940	0.000	1	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:3:4:	3:3:4:1:	4:3:3:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:N[5]-3:C-4:H-1:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6,6a]O)(C[5]N[5]CH)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5,5]H)(CCHH)(H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5,6]C[5]C[6])(C[6]C[6,6a]O)	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6,6a]O)(C[5]N[5]CH){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5,5]H)(CCHH)(H){1|O<1>,4|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5,6]C[5]C[6])(C[6]C[6,6a]O){1|C<4>,1|N<3>,2|H<1>,2|O<1>,4|C<3>}	111.3660	0.000	1	111.3660	0.000	1	111.6140	0.123	2	111.6140	0.123	2	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:3:4:	3:3:4:1:	4:3:3:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:N[5]-3:C-4:H-1:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6,6a]O)(C[5]N[5]CH)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5,5]H)(CC[6a]HH)(H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5,6]C[5]C[6])(C[6]C[6,6a]O)	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6,6a]O)(C[5]N[5]CH){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5,5]H)(CC[6a]HH)(H){1|O<1>,4|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5,6]C[5]C[6])(C[6]C[6,6a]O){1|C<4>,1|N<3>,2|H<1>,2|O<1>,4|C<3>}	111.8620	0.000	1	111.8620	0.000	1	111.6140	0.123	2	111.6140	0.123	2	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:3:4:	3:3:4:3:	3:3:4:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:N[5]-3:C-4:C-3:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]N[5]CC)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]H)(CH3)(COO)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]N[5]CH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]N[5]CC){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]H)(CH3)(COO){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]N[5]CH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	111.5120	0.000	1	111.5120	0.000	1	111.5120	0.000	1	111.5120	0.000	1	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:3:4:	3:3:4:3:	4:3:3:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:N[5]-3:C-4:C-3:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]N[5]CC)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]H)(CC[6a]HH)(COO)	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[5]C[6])(C[6]C[6,6a]O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]N[5]CC){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]H)(CC[6a]HH)(COO){1|H<1>,1|O<1>,3|C<3>}	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[5]C[6])(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	111.8840	0.000	1	111.8840	0.000	1	111.8840	0.000	1	111.8840	0.000	1	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:3:4:	3:3:4:4:	3:3:3:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-3:C-4:C-4:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6](C[5,6]C[6]N[5])(C[6]C[3,6]H)(C[5]C[5]CC)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CH3)2	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6]C[6]H)	C[5,6](C[5,6]C[6]N[5])(C[6]C[3,6]H)(C[5]C[5]CC){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6]C[6]H){1|H<1>,2|C<3>,2|O<1>,3|C<4>}	109.4700	0.000	1	109.4700	0.000	1	109.8100	0.231	2	109.8100	0.231	2	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:3:4:	3:3:4:4:	3:3:3:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-3:C-4:C-4:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]O)(C[5]C[5]CC)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CH3)2	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6]C[6,6a]O)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]O)(C[5]C[5]CC){2|O<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CH3)2{1|O<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6]C[6,6a]O){2|C<4>,2|O<1>,4|C<3>}	110.1500	0.000	1	110.1500	0.000	1	109.8100	0.231	2	109.8100	0.231	2	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:3:4:	3:4:1:1:	3:3:2:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-3:O[5]-2:	C[5,6](C[5,6]C[6]O[5])(C[6]C[6,6a]O)(C[5]C[5]HH)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(O[5]C[5])	C[5,6](C[5,6]C[6]O[5])(C[6]C[6,6a]O)(C[5]C[5]HH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(H)2{1|O<1>,2|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	109.0320	0.000	1	109.0320	0.000	1	109.0320	0.000	1	109.0320	0.000	1	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-4:F-1:F-1:	C[5,6]-3:C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[5,6]C[5])2(C[5]C[5]FF)	C[5](C[5,6]C[5,6]2)(C[5]C[5]FF)(F)2	C[5,6](C[5,6]C[5,6]C[5])2(C[5]C[5]FF)	C[5,6](C[5,6]C[5,6]C[5])2(C[5]C[5]FF){1|H<1>,1|S<2>,2|C<3>,2|C<4>,4|F<1>}	C[5](C[5,6]C[5,6]2)(C[5]C[5]FF)(F)2{1|C<4>,2|C<3>,2|F<1>}	C[5,6](C[5,6]C[5,6]C[5])2(C[5]C[5]FF){1|H<1>,1|S<2>,2|C<3>,2|C<4>,4|F<1>}	109.3802	0.612	12	109.3802	0.375	12	109.2045	0.635	20	109.9829	1.691	52	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-4:F-1:F-1:	C[5,6]-3:C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[5,6]C[5])2(C[5]C[5]FF)	C[5](C[5,6]C[5,6]2)(C[5]C[5]FF)(F)2	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5])(C[5]C[5]FF)	C[5,6](C[5,6]C[5,6]C[5])2(C[5]C[5]FF){1|S<2>,2|C<3>,3|C<4>,4|F<1>}	C[5](C[5,6]C[5,6]2)(C[5]C[5]FF)(F)2{1|C<4>,2|C<3>,2|F<1>}	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5])(C[5]C[5]FF){1|S<2>,2|C<4>,3|C<3>,4|F<1>}	107.5715	0.098	2	107.5715	0.010	2	109.2045	0.635	20	109.9829	1.691	52	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-4:F-1:F-1:	C[5,6]-3:C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5])(C[5]C[5]FF)	C[5](C[5,6]C[5,6]2)(C[5]C[5]FF)(F)2	C[5,6](C[5,6]C[5,6]C[5])2(C[5]C[5]FF)	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5])(C[5]C[5]FF){1|S<2>,2|C<4>,3|C<3>,4|F<1>}	C[5](C[5,6]C[5,6]2)(C[5]C[5]FF)(F)2{1|C<4>,2|C<3>,2|F<1>}	C[5,6](C[5,6]C[5,6]C[5])2(C[5]C[5]FF){1|S<2>,2|C<3>,3|C<4>,4|F<1>}	109.4550	0.257	2	109.4550	0.066	2	109.2045	0.635	20	109.9829	1.691	52	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-4:F-1:F-1:	C[5,6]-3:C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5])(C[5]C[5]FF)	C[5](C[5,6]C[5,6]2)(C[5]C[5]FF)(F)2	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5])(C[5]C[5]FF)	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5])(C[5]C[5]FF){1|S<2>,2|C<4>,3|C<3>,4|F<1>}	C[5](C[5,6]C[5,6]2)(C[5]C[5]FF)(F)2{1|C<4>,2|C<3>,2|F<1>}	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5])(C[5]C[5]FF){1|S<2>,2|C<4>,3|C<3>,4|F<1>}	109.3690	0.802	4	109.3690	0.644	4	109.2045	0.635	20	109.9829	1.691	52	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]C)(C[5]C[5]HH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]C)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]C)(C[5]C[5]HH){1|Fe<10>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]C)(C[5]C[5]HH){1|Fe<10>,3|C<4>,4|H<1>}	109.0645	0.306	2	109.1350	0.042	4	110.7167	1.793	26	109.9829	1.691	52	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]C)(C[5]C[5]HH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]C)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]C)(C[5]C[5]HH){1|Ru<10>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]C)(C[5]C[5]HH){1|Ru<10>,3|C<4>,4|H<1>}	109.2055	0.108	2	109.1350	0.042	4	110.7167	1.793	26	109.9829	1.691	52	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]H)(C[5]C[5]HH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]H)(C[5]C[5]HH){1|Hf<12>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]H)(C[5]C[5]HH){1|Hf<12>,2|C<4>,5|H<1>}	109.5250	0.146	2	109.5250	0.021	2	110.7167	1.793	26	109.9829	1.691	52	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[5a]N[6])(C[5]C[5]HH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6a]C[6])(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5a]N[6])(C[5]C[5]HH){1|Pt<4>,1|S<2>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6a]C[6])(C[5]C[5]HH){1|N<3>,3|C<3>,5|H<1>}	112.3293	0.514	4	112.3293	0.264	4	110.7167	1.793	26	109.9829	1.691	52	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]C[5]HH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]C[5]HH){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]C[5]HH){1|O<1>,2|C<3>,4|H<1>}	112.5025	0.580	4	112.5025	0.337	4	110.7167	1.793	26	109.9829	1.691	52	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]N[6])(C[5]C[5]HH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]N[6])(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]N[6])(C[5]C[5]HH){1|Zn<6>,2|C<3>,2|N<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]N[6])(C[5]C[5]HH){1|Zn<6>,2|C<3>,2|N<3>,4|H<1>}	110.4887	0.604	6	110.4887	0.365	6	110.7167	1.793	26	109.9829	1.691	52	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6a]C[6])(C[5]C[5]HH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[5a]N[6])(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6a]C[6])(C[5]C[5]HH){1|N<3>,3|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5a]N[6])(C[5]C[5]HH){1|Pt<4>,1|S<2>,3|C<3>,4|H<1>}	109.8135	0.515	4	109.8135	0.265	4	110.7167	1.793	26	109.9829	1.691	52	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6a]C[6])(C[5]C[5]HH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6a]N[6])(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6a]C[6])(C[5]C[5]HH){1|N<3>,3|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6a]N[6])(C[5]C[5]HH){1|Pt<4>,4|C<3>,4|H<1>}	110.1830	0.000	1	110.1830	0.000	1	110.7167	1.793	26	109.9829	1.691	52	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6a]N[6])(C[5]C[5]HH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6a]C[6])(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6a]N[6])(C[5]C[5]HH){1|Pt<4>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6a]C[6])(C[5]C[5]HH){1|N<3>,3|C<3>,5|H<1>}	111.3480	0.000	1	111.3480	0.000	1	110.7167	1.793	26	109.9829	1.691	52	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[6]-3:C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]H)(C[5]C[5]HH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5,6](C[6]C[5,6]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]H)(C[5]C[5]HH){1|Zr<13>,1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[6]C[5,6]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]HH){1|Zr<13>,2|C<3>,2|C<4>,5|H<1>}	108.8600	0.000	1	109.3300	0.214	3	109.3300	0.214	3	109.9829	1.691	52	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[6]-3:C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]H)(C[5]C[5]HH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5,6](C[6]C[5,6]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]H)(C[5]C[5]HH){1|Zr<14>,1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[6]C[5,6]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]HH){1|Zr<14>,2|C<3>,2|C<4>,5|H<1>}	109.5650	0.311	2	109.3300	0.214	3	109.3300	0.214	3	109.9829	1.691	52	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:3:4:	3:4:1:1:	3:3:4:	C[6]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6](C[6]C[5,6]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]HH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]H)(C[5]C[5]HH)	C[5,6](C[6]C[5,6]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]HH){1|Zr<13>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]H)(C[5]C[5]HH){1|Zr<13>,1|C<3>,2|C<4>,4|H<1>}	110.0770	0.000	1	109.4647	0.348	3	109.4647	0.348	3	109.9829	1.691	52	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:3:4:	3:4:1:1:	3:3:4:	C[6]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6](C[6]C[5,6]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]HH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]H)(C[5]C[5]HH)	C[5,6](C[6]C[5,6]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]HH){1|Zr<14>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]H)(C[5]C[5]HH){1|Zr<14>,1|C<3>,2|C<4>,4|H<1>}	109.1585	0.364	2	109.4647	0.348	3	109.4647	0.348	3	109.9829	1.691	52	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:3:4:	3:4:1:1:	3:4:2:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:O[6]-2:	C[5,6](C[5,6]C[5]O[6])(C[6]N[5,6]O)(C[5]C[5]HH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[5,6])	C[5,6](C[5,6]C[5]O[6])(C[6]N[5,6]O)(C[5]C[5]HH){2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2{1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[5,6]){1|N<3>,1|O<1>,3|C<4>,3|H<1>}	110.3750	0.000	1	110.3750	0.000	1	110.3750	0.000	1	110.3750	0.000	1	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:3:4:	3:4:1:1:	3:4:3:	C[5,6]-3:N[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(N[6]C[6,6]H)(C[5]C[5]HH)	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]N[6]O)	C[5,6](C[5,6]C[5]C[6])(N[6]C[6,6]H)(C[5]C[5]HH){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]N[6]O){1|C<4>,6|H<1>}	111.7630	0.000	1	111.7630	0.000	1	111.7630	0.000	1	112.8420	2.328	2	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:3:4:	3:4:1:1:	3:4:3:	N[6]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](N[6]C[5,6]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]HH)	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]N[6])(C[6]C[5,6]CC)(C[5]C[5]O)	C[5,6](N[6]C[5,6]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]HH){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5,6](C[5,6]C[5]N[6])(C[6]C[5,6]CC)(C[5]C[5]O){3|C<3>,4|H<1>}	113.9210	0.000	1	113.9210	0.000	1	113.9210	0.000	1	112.8420	2.328	2	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:3:4:	3:4:1:1:	4:3:2:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-3:O[5]-2:	C[5,6](C[5,6]C[6,6]O[5])(C[6]C[6,6]O)(C[5]C[5]HH)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(O[5]C[5])	C[5,6](C[5,6]C[6,6]O[5])(C[6]C[6,6]O)(C[5]C[5]HH){1|H<1>,2|C<3>,4|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(H)2{1|O<1>,2|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(O[5]C[5]){2|O<1>,3|H<1>,5|C<4>}	108.7373	0.107	3	108.7373	0.011	3	108.7373	0.011	3	108.7373	0.011	3	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:3:4:	3:4:1:1:	4:3:3:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6,6]C)(C[5]C[5]HH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5,6]C[5]C[6])(C[5]C[5]O)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6,6]C)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5,6]C[5]C[6])(C[5]C[5]O){1|N<3>,1|O<1>,1|S<2>,4|C<3>,5|H<1>}	110.5530	0.228	2	110.5530	0.052	2	110.5530	0.052	2	112.0724	2.845	5	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:3:4:	3:4:1:1:	4:3:3:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]C)(C[5]C[5]HH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]C[6])(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]C)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]C[6])(C[5]C[5]O){1|S<2>,4|C<3>,5|H<1>}	111.5810	0.000	1	111.5810	0.000	1	111.5810	0.000	1	112.0724	2.845	5	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:3:4:	3:4:1:1:	4:3:3:	C[5,6]-3:N[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HH)	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]HH)(H)2	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6])(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HH){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6])(C[5]C[5]O){4|C<3>,5|H<1>}	113.8375	0.487	2	113.8375	0.237	2	113.8375	0.237	2	112.0724	2.845	5	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:3:4:	3:4:1:1:	4:3:4:	C[5a,6]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-4:F-1:F-1:	C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5])(C[5]C[5]FF)	C[5](C[5,6]C[5a,6]C[5,6])(C[5]C[5]FF)(F)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5a,6]C[5])(C[5]C[5]FF)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5])(C[5]C[5]FF){1|H<1>,1|S<2>,2|C<3>,2|C<4>,4|F<1>}	C[5](C[5,6]C[5a,6]C[5,6])(C[5]C[5]FF)(F)2{1|C<4>,2|C<3>,2|F<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5a,6]C[5])(C[5]C[5]FF){1|C<4>,1|H<1>,1|S<4>,3|C<3>,4|F<1>}	110.5930	0.000	1	110.5930	0.000	1	110.5930	0.000	1	114.2430	26.645	2	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:3:4:	3:4:1:1:	4:3:4:	N[6]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[6]-4:C[5,6]-3:S[5]-4:	C[5,6](N[6]C[6,6]C[6a])(C[5,6]C[6]S[5])(C[5]C[5]HH)	C[5](C[5,6]C[5,6]N[6])(C[5]S[5]HH)(H)2	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]N[6])(S[5]C[5]OO)	C[5,6](N[6]C[6,6]C[6a])(C[5,6]C[6]S[5])(C[5]C[5]HH){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]N[6])(C[5]S[5]HH)(H)2{1|C<4>,2|C<3>,2|O<1>}	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]N[6])(S[5]C[5]OO){4|H<1>,5|C<3>}	117.8930	0.000	1	117.8930	0.000	1	117.8930	0.000	1	114.2430	26.645	2	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:3:4:	3:4:2:1:	3:3:2:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:O-2:H-1:	C[5,6]-3:C[6]-3:O[5]-2:	C[5,6](C[5,6]C[6]O[5])(C[6]C[6,6a]O)(C[5]C[5]HO)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(OH)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(O[5]C[5])	C[5,6](C[5,6]C[6]O[5])(C[6]C[6,6a]O)(C[5]C[5]HO){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(OH)(H){1|O<1>,2|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(O[5]C[5]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	108.4320	0.000	1	108.4320	0.000	1	108.4320	0.000	1	108.4320	0.000	1	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:3:4:	3:4:2:2:	3:4:3:	C[6,6a]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-4:C-2:C-2:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]CC)	C[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]CH)(CN)2	C[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6]HH)(C[5]C[5]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]CC){1|C<4>,4|C<3>,4|H<1>}	C[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]CH)(CN)2{1|C<4>,3|C<3>}	C[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6]HH)(C[5]C[5]C){2|C<2>,3|C<3>,3|H<1>}	110.5185	0.087	2	110.5185	0.008	2	110.5185	0.008	2	110.5185	0.008	2	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:3:4:	3:4:4:4:	3:3:4:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]CC)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCHH)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]CC)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]CC){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCHH)2{1|O<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]CC){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	113.3780	0.047	2	113.3780	0.002	2	113.1741	0.667	9	113.1741	0.667	9	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:3:4:	3:4:4:4:	3:3:4:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]CC)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]CC)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]CC){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)2{1|O<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]CC){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	113.0277	0.144	3	113.0277	0.021	3	113.1741	0.667	9	113.1741	0.667	9	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:3:4:	3:4:4:4:	3:3:4:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]CC)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]S)(C[5]C[5]CC)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]CC){1|C<3>,1|S<1>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)2{1|O<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]S)(C[5]C[5]CC){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	114.3095	0.128	2	114.3095	0.016	2	113.1741	0.667	9	113.1741	0.667	9	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:3:4:	3:4:4:4:	3:3:4:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]S)(C[5]C[5]CC)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCHH)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]CC)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]S)(C[5]C[5]CC){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCHH)2{1|S<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]CC){1|C<3>,1|S<1>,2|H<1>,3|C<4>}	112.0545	0.209	2	112.0545	0.044	2	113.1741	0.667	9	113.1741	0.667	9	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:3:4:	3:4:4:4:	3:4:4:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5,6]-3:C[6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]H)(C[5]C[5]CC)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCHH)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]Cu2)(C[5]C[5]CC)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]H)(C[5]C[5]CC){1|Cu<2>,1|Cu<3>,1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCHH)2{1|C<3>,1|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]Cu2)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	113.1610	0.660	2	113.2007	0.167	4	113.2007	0.167	4	113.2007	0.167	4	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:3:4:	3:4:4:4:	3:4:4:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5,6]-3:C[6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]H)(C[5]C[5]CC)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCHH)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]Cu2)(C[5]C[5]CC)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]H)(C[5]C[5]CC){2|Cu<2>,1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCHH)2{1|C<3>,1|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]Cu2)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	113.2405	0.240	2	113.2007	0.167	4	113.2007	0.167	4	113.2007	0.167	4	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:2:	3:2:4:4:	3:3:3:	C[5,6]-3:C[5]-4:N[6]-2:	C[5,6]-3:O[5]-2:C-4:C-4:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[6,6a]C[5])(C[5]O[5]CC)(N[6]S[6])	C[5](C[5,6]C[5,6]N[6])(O[5]C[5])(CH3)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6])(C[5]O[5]O)	C[5,6](C[5,6]C[6,6a]C[5])(C[5]O[5]CC)(N[6]S[6]){2|O<1>,3|C<3>}	C[5](C[5,6]C[5,6]N[6])(O[5]C[5])(CH3)2{1|C<3>,1|O<1>,1|S<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6])(C[5]O[5]O){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	110.6110	0.000	1	110.6110	0.000	1	110.6110	0.000	1	110.6110	0.000	1	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:2:	3:3:1:1:	3:3:3:	C[5,6]-3:C[5]-4:C[6]-2:	C[5,6]-3:C[5]-3:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6])	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]P[5])(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]H)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]){1|C<3>,1|P<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]P[5])(H)2{1|H<1>,2|C<3>,2|P<3>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]H)(C[6]C[6]H){1|C<3>,1|P<3>,3|H<1>}	109.4480	0.000	1	109.4480	0.000	1	109.4480	0.000	1	109.4480	0.000	1	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:2:	3:4:1:1:	3:3:4:	C[5,6]-3:C[5]-4:O[6]-2:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[5,6])	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]CC)(H)2	C[5,6](C[5,6]C[5]O[6])(C[6]N[5,6]O)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[5,6]){1|N<3>,1|O<1>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]O[6])(C[6]N[5,6]O)(C[5]C[5]HH){2|H<1>,4|C<4>}	113.1350	0.000	1	113.1350	0.000	1	113.1350	0.000	1	113.1350	0.000	1	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:2:	3:4:1:1:	3:4:3:	C[5,6]-3:C[5]-4:O[6]-2:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[3x6])	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]CO)(H)2	C[5,6](C[5,6]C[5]O[6])(C[6]C[6]CH)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[3x6]){1|C<3>,1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]CO)(H)2{1|O<1>,2|C<4>}	C[5,6](C[5,6]C[5]O[6])(C[6]C[6]CH)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	114.5470	2.051	4	114.5470	4.207	4	114.7412	3.344	5	114.7412	3.344	5	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:2:	3:4:1:1:	3:4:3:	C[5,6]-3:C[5]-4:O[6]-2:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[6])	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]O[6])(C[6]C[5]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[6]){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[5,6](C[5,6]C[5]O[6])(C[6]C[5]C[6]H)(C[5]C[5]O){1|C<2>,1|C<3>,1|S<2>,5|H<1>}	115.5180	0.000	1	115.5180	0.000	1	114.7412	3.344	5	114.7412	3.344	5	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:2:	3:4:1:1:	4:3:3:	C[5,6]-3:C[5]-4:O[6]-2:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]HH)(O[6]C[5,6])	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]O[6])(C[5]C[5]O)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]HH)(O[6]C[5,6]){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]O[6])(C[5]C[5]O){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	114.6040	0.054	2	114.6040	0.003	2	114.6040	0.003	2	114.6040	0.003	2	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:2:	3:4:1:1:	4:3:4:	C[5,6]-3:C[5]-4:O[6]-2:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:S[5]-4:	C[5,6](C[5,6]C[5,6]S[5])(C[5]C[5]HH)(O[6]C[6])	C[5](C[5,6]C[5,6]O[6])(C[5]S[5]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]O[6])(S[5]C[5]OO)	C[5,6](C[5,6]C[5,6]S[5])(C[5]C[5]HH)(O[6]C[6]){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[5](C[5,6]C[5,6]O[6])(C[5]S[5]HH)(H)2{1|C<3>,1|C<4>,2|O<1>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]O[6])(S[5]C[5]OO){1|C<2>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	120.3560	0.000	1	120.3560	0.000	1	120.0680	0.166	2	120.0417	0.476	4	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:2:	3:4:1:1:	4:3:4:	C[5,6]-3:C[5]-4:O[6]-2:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:S[5]-4:	C[5,6](C[5,6]C[5,6]S[5])(C[5]C[5]HH)(O[6]C[6])	C[5](C[5,6]C[5,6]O[6])(C[5]S[5]HH)(H)2	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]O[6])(S[5]C[5]OO)	C[5,6](C[5,6]C[5,6]S[5])(C[5]C[5]HH)(O[6]C[6]){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[5](C[5,6]C[5,6]O[6])(C[5]S[5]HH)(H)2{1|C<3>,1|C<4>,2|O<1>}	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]O[6])(S[5]C[5]OO){1|C<2>,2|O<1>,3|C<3>,4|H<1>}	119.7800	0.000	1	119.7800	0.000	1	120.0680	0.166	2	120.0417	0.476	4	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:2:	3:4:1:1:	4:3:4:	C[5,6]-3:C[5]-4:O[6]-2:	C[5,6]-3:C[5]-4:H-1:H-1:	C[6]-4:C[5,6]-3:S[5]-4:	C[5,6](C[5,6]C[6]S[5])(C[5]C[5]HH)(O[6]C[6])	C[5](C[5,6]C[5,6]O[6])(C[5]S[5]HH)(H)2	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(S[5]C[5]OO)	C[5,6](C[5,6]C[6]S[5])(C[5]C[5]HH)(O[6]C[6]){1|N<3>,2|C<3>,2|O<1>,3|H<1>}	C[5](C[5,6]C[5,6]O[6])(C[5]S[5]HH)(H)2{1|C<3>,1|C<4>,2|O<1>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(S[5]C[5]OO){1|C<2>,3|C<3>,4|H<1>}	120.0155	1.122	2	120.0155	1.259	2	120.0155	1.259	2	120.0417	0.476	4	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:3:	3:2:1:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]N[6]H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]O)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]N[6]H){1|C<3>,2|H<1>,2|O<2>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]O){1|C<4>,1|N<3>,3|H<1>}	108.6250	0.000	1	108.6250	0.000	1	108.6250	0.000	1	108.6250	0.000	1	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:3:	3:2:1:1:	3:4:4:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[6]C[6]CC)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]O){3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[6]C[6]CC){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	110.7710	0.000	1	110.7710	0.000	1	110.7710	0.000	1	110.7710	0.000	1	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:3:	3:2:1:1:	4:3:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-4:C[5,6]-3:C-3:	C[5,6](C[5,6]C[5,6]C)(C[5]O[5]HH)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5,6])(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[5,6]C[5]C[6])(CHS)	C[5,6](C[5,6]C[5,6]C)(C[5]O[5]HH)(C[6]C[6]H){1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5,6])(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5,6]C[5]C[6])(CHS){1|C<3>,5|H<1>}	97.5342	0.000	1	97.5342	0.000	1	97.5342	0.000	1	97.5342	0.000	1	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:3:	3:2:1:1:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:O[5]-2:H-1:H-1:	C[3,5,6,6]-4:C[5]-4:C[5,6]-3:	C[5,6](C[5,6]C[3,5,6,6]C[5])(C[5]O[5]HH)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	C[5,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[5,6])(C[5]C[5a]O[5]H)(C[5,6]C[5]C[6])	C[5,6](C[5,6]C[3,5,6,6]C[5])(C[5]O[5]HH)(C[6]C[6]H){1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[5,6])(C[5]C[5a]O[5]H)(C[5,6]C[5]C[6]){1|C<2>,2|C<4>,4|C<3>,5|H<1>}	109.3005	0.494	2	109.3005	0.244	2	109.3005	0.244	2	109.3005	0.244	2	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:3:	3:2:2:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:O[5]-2:O-2:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(OC)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]N[6]H)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]O){1|C<4>,1|N<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(OC)(H){1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]N[6]H){1|C<3>,2|H<1>,2|O<2>}	108.3230	0.000	1	108.3230	0.000	1	108.3230	0.000	1	108.3230	0.000	1	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:3:	3:2:4:2:	3:3:2:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:O[5]-2:C-4:O-2:	C[5,6]-3:C[6]-3:N[5]-2:	C[5,6](C[5,6]C[6]N[5])(C[5]O[5]CO)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(O[5]N[5])(CF3)(OH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]H)(N[5]O[5])	C[5,6](C[5,6]C[6]N[5])(C[5]O[5]CO)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]N[5])(CF3)(OH){1|H<1>,2|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]H)(N[5]O[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	104.8510	0.000	1	104.8510	0.000	1	104.8510	0.000	1	104.8510	0.000	1	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:3:	3:3:1:1:	3:3:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5,6]-3:H-1:H-1:	C[5,6]-3:C[5,6]-3:N[6]-3:	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]HH)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])2(H)2	C[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Pt)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]HH)(C[6]C[6]H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,6]C[5,6]C[6])2(H)2{2|C<3>,2|H<1>,2|N<3>}	C[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Pt){3|C<3>,4|H<1>}	108.0755	0.063	2	108.3977	0.313	3	108.3710	0.160	5	108.6304	0.313	8	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:3:	3:3:1:1:	3:3:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5,6]-3:H-1:H-1:	C[5,6]-3:C[5,6]-3:N[6]-3:	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]HH)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])2(H)2	C[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Pt)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]HH)(C[6]C[6]H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,6]C[5,6]C[6])2(H)2{2|C<3>,2|H<1>,2|N<3>}	C[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Pt){3|H<1>,4|C<3>}	109.0420	0.000	1	108.3977	0.313	3	108.3710	0.160	5	108.6304	0.313	8	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:3:	3:3:1:1:	3:3:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5,6]-3:H-1:H-1:	C[5,6]-3:C[5,6]-3:N[6]-3:	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]HH)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])2(H)2	C[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Ru)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]HH)(C[6]C[6]H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,6]C[5,6]C[6])2(H)2{2|C<3>,2|H<1>,2|N<3>}	C[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Ru){3|C<3>,4|H<1>}	108.3310	0.096	2	108.3310	0.009	2	108.3710	0.160	5	108.6304	0.313	8	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:3:	3:3:1:1:	3:3:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6a]-3:C[5,6]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-3:N[6]-3:	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]HH)(C[6]C[6]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6]H)	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]HH)(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	109.5800	0.000	1	109.5800	0.000	1	109.5800	0.000	1	108.6304	0.313	8	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:3:	3:3:1:1:	3:3:3:	C[5,6]-3:C[5]-4:C[6]-3:	N[5,6a]-3:C[5,6]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-3:N[6]-3:	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	C[5,6](C[5,6a]N[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6,6a]O)	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>}	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>}	C[5,6](C[5,6a]N[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6,6a]O){4|C<3>,4|H<1>}	108.8040	0.499	2	108.8040	0.249	2	108.8040	0.249	2	108.6304	0.313	8	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:3:	3:3:1:1:	3:3:4:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]C)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]C)(C[5]N[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]C){1|S<4>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]C)(C[5]N[5]HH){1|C<3>,1|S<4>,2|H<1>,3|C<4>}	109.6230	0.000	1	109.6230	0.000	1	109.6230	0.000	1	109.6230	0.000	1	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[5]-4:C[5,6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-3:O[6]-2:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[5,6]C[5,6a]O[6])	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(O[6]C[6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[5,6]C[5,6a]O[6]){1|H<1>,7|C<3>}	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){1|Cl<1>,1|O<2>,2|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(O[6]C[6]){3|H<1>,5|C<3>}	109.1430	0.000	1	109.1430	0.000	1	109.1430	0.000	1	108.6875	0.415	2	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[5]-4:C[5,6]-3:	C[5,6]-3:C[5]-3:C[6a]-3:H-1:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,6]C[5]O[6])	C[5](C[5,6]C[6,6a]C[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[6a]C[5])(O[6]Si[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,6]C[5]O[6]){1|Si<4>,1|H<1>,6|C<3>}	C[5](C[5,6]C[6,6a]C[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,7|C<3>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[6a]C[5])(O[6]Si[5,6]){1|H<1>,2|C<4>,6|C<3>}	108.2320	0.000	1	108.2320	0.000	1	108.2320	0.000	1	108.6875	0.415	2	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[5]-4:C[5,6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-3:N[6]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[5,6]C[5,6a]N[6])	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(N[6]C[6]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[5,6]C[5,6a]N[6]){1|C<4>,1|H<1>,7|C<3>}	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){1|N<3>,3|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(N[6]C[6]C){1|Cl<1>,3|H<1>,5|C<3>}	111.0890	0.000	1	111.0890	0.000	1	111.0890	0.000	1	111.0890	0.000	1	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:3:	3:3:3:2:	3:3:4:	C[6,6a]-3:C[5]-4:C[5,6]-3:	C[5,6]-3:C[6a]-3:C[5]-3:C-2:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]C)(C[5,6]C[5]C[6])	C[5](C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]C)(CN)	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]N[6])(C[6]C[6]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]C)(C[5,6]C[5]C[6]){1|C<2>,1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5](C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]C)(CN){1|C<2>,1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]N[6])(C[6]C[6]HH){2|C<2>,2|C<4>,2|H<1>,3|C<3>}	110.4190	0.000	1	110.4190	0.000	1	110.4190	0.000	1	110.4190	0.000	1	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:3:	3:3:3:2:	3:4:2:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-3:C-3:O-2:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]CO)(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]C)(COO)(OH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]CO)(C[6]C[6]O){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]C)(COO)(OH){1|O<1>,2|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	109.2410	0.000	1	109.2410	0.000	1	109.2410	0.000	1	109.2410	0.000	1	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:3:	3:3:4:1:	3:3:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5,6]-3:C-4:H-1:	C[5,6]-3:C[5,6]-3:N[6]-3:	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]CH)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])2(CCHH)(H)	C[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Ru)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]CH)(C[6]C[6]H){1|Ru<8>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,6]C[5,6]C[6])2(CCHH)(H){2|C<3>,2|H<1>,2|N<3>}	C[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Ru){1|C<4>,3|C<3>,3|H<1>}	108.1930	0.479	2	108.1930	0.230	2	108.1930	0.230	2	108.1930	0.230	2	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:3:	3:3:4:4:	3:3:2:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6a]-3:C[5,6]-3:C-4:C-4:	C[5,6a]-3:C[5,6]-3:C[6]-2:	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CC[5]HH)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6])	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]H){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CC[5]HH)2{1|C<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]){2|C<4>,3|C<3>,3|H<1>}	109.8950	0.000	1	109.8950	0.000	1	109.8950	0.000	1	109.8950	0.000	1	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:3:	3:3:4:4:	3:3:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5,6]-3:C-4:C-4:	C[5,6]-3:C[5,6]-3:N[6]-3:	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]CC)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])2(CCHH)2	C[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Ir)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]CC)(C[6]C[6]H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,6]C[5,6]C[6])2(CCHH)2{2|C<3>,2|H<1>,2|N<3>}	C[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Ir){2|C<4>,2|H<1>,3|C<3>}	108.9145	0.620	2	108.9145	0.385	2	108.9145	0.385	2	109.3818	0.670	5	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:3:	3:3:4:4:	3:3:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-3:C-4:C-4:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]CC)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CH3)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6a]C[6])(N[5]C[6a]C[5])	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]CC)(C[6]C[6]H){2|O<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CH3)2{1|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6a]C[6])(N[5]C[6a]C[5]){1|H<1>,2|C<4>,2|O<1>,5|C<3>}	109.2340	0.000	1	109.2340	0.000	1	109.2340	0.000	1	109.3818	0.670	5	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:3:	3:3:4:4:	3:3:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-3:C-4:C-4:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]CC)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CH3)2	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6]C[6]H)	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]CC)(C[6]C[6]H){1|H<1>,2|C<3>,2|O<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CH3)2{1|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6]C[6]H){1|H<1>,2|C<4>,2|O<1>,3|C<3>}	109.1320	0.000	1	109.1320	0.000	1	109.1320	0.000	1	109.3818	0.670	5	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:3:	3:3:4:4:	3:3:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6a]-3:C[5,6]-3:C-4:C-4:	C[5,6a]-3:C[5,6]-3:N[6]-3:	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]CC)(C[6]C[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CH3)2	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]Pd)	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]CC)(C[6]C[6]H){1|Pd<4>,1|H<1>,1|N<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CH3)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]Pd){2|C<4>,2|H<1>,3|C<3>}	110.7140	0.000	1	110.7140	0.000	1	110.7140	0.000	1	109.3818	0.670	5	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:3:	3:4:1:1:	3:3:2:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-3:O[5]-2:	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CC)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]O)(O[5]C[5])	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CC)(H)2{1|H<1>,2|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]O)(O[5]C[5]){1|C<3>,2|C<4>,4|H<1>}	107.7760	0.361	4	107.7760	0.130	4	108.0854	0.576	5	108.5704	1.131	7	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:3:	3:4:1:1:	3:3:2:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-3:O[5]-2:	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]HH)(C[6]N[6]O)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]C)(O[5]C[5])	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]HH)(C[6]N[6]O){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]C)(O[5]C[5]){1|C<3>,1|N<3>,1|O<1>,5|H<1>}	109.3230	0.000	1	109.3230	0.000	1	108.0854	0.576	5	108.5704	1.131	7	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:3:	3:4:1:1:	3:3:2:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:N[5]-3:C[6]-2:	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(N[5]C[5]C[6])(C[6]C[6])	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]H){2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<2>,1|H<1>,2|C<3>}	C[5,6](C[5,6]C[5]C[6])(N[5]C[5]C[6])(C[6]C[6]){1|C<2>,2|C<3>,6|H<1>}	110.2110	0.000	1	110.2110	0.000	1	110.2110	0.000	1	108.5704	1.131	7	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:3:	3:4:1:1:	3:3:2:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-3:O[5]-2:	C[5,6](C[5,6]C[6,6a]O[5])(C[5]C[5]HH)(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O[5]C[5])	C[5,6](C[5,6]C[6,6a]O[5])(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(H)2{1|O<1>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O[5]C[5]){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	109.3550	0.000	1	109.3550	0.000	1	109.3550	0.000	1	108.5704	1.131	7	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:3:	3:4:1:1:	3:3:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:N[6]-3:C[5]-3:	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2	C[5,6](C[5,6]C[5]C[6])(N[6]C[6]Co)(C[5]C[5]N)	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]H){1|Co<5>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2{1|C<3>,1|H<1>,2|N<3>}	C[5,6](C[5,6]C[5]C[6])(N[6]C[6]Co)(C[5]C[5]N){2|C<3>,2|C<4>,3|H<1>}	107.9520	0.000	1	107.9520	0.000	1	109.2813	1.326	3	109.1236	1.364	5	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:3:	3:4:1:1:	3:3:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:N[6]-3:C[5]-3:	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2	C[5,6](C[5,6]C[5]C[6])(N[6]C[6]Ni)(C[5]C[5]N)	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]H){1|Ni<6>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2{1|C<3>,1|H<1>,2|N<3>}	C[5,6](C[5,6]C[5]C[6])(N[6]C[6]Ni)(C[5]C[5]N){1|C<3>,2|C<4>,4|H<1>}	109.9460	0.025	2	109.9460	0.001	2	109.2813	1.326	3	109.1236	1.364	5	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:3:	3:4:1:1:	3:3:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:N[6]-3:N[5]-3:	C[5,6](C[5,6]N[5]N[6])(C[5]C[5]HH)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(N[6]C[6]Cu)(N[5]C[5]C)	C[5,6](C[5,6]N[5]N[6])(C[5]C[5]HH)(C[6]C[6]H){1|Cu<4>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[5,6]C[5]C[6])(N[6]C[6]Cu)(N[5]C[5]C){1|C<3>,1|O<2>,5|H<1>}	110.0310	0.000	1	108.8870	2.617	2	108.8870	2.617	2	109.1236	1.364	5	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:3:	3:4:1:1:	3:3:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:N[6]-3:N[5]-3:	C[5,6](C[5,6]N[5]N[6])(C[5]C[5]HH)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(N[6]C[6]Cu)(N[5]C[5]C)	C[5,6](C[5,6]N[5]N[6])(C[5]C[5]HH)(C[6]C[6]H){1|Cu<4>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[5,6]C[5]C[6])(N[6]C[6]Cu)(N[5]C[5]C){1|C<3>,6|H<1>}	107.7430	0.000	1	108.8870	2.617	2	108.8870	2.617	2	109.1236	1.364	5	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:3:	3:4:1:1:	3:3:4:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:N[5]-3:C[6]-4:	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]N[6]O)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6]C[6]HH)	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]N[6]O){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6]C[6]HH){1|N<3>,1|O<1>,3|C<3>,5|H<1>}	110.2400	0.000	1	110.2400	0.000	1	110.2400	0.000	1	110.6860	0.398	2	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:3:	3:4:1:1:	3:3:4:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:N[6]-3:C[5]-4:	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]N[6]O)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(N[6]C[6,6]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]N[6]O){1|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,2|N<3>}	C[5,6](C[5,6]C[5]C[6])(N[6]C[6,6]H)(C[5]C[5]HH){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	111.1320	0.000	1	111.1320	0.000	1	111.1320	0.000	1	110.6860	0.398	2	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:3:	3:4:1:1:	3:4:2:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]O){2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(H)2{1|O<1>,2|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|O<1>,2|C<4>,5|H<1>}	109.2900	0.031	2	109.2900	0.001	2	109.4587	0.086	3	109.4587	0.086	3	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:3:	3:4:1:1:	3:4:2:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]HH)(C[6]N[6]O)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]CC)(O[5]C[5])	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]HH)(C[6]N[6]O){1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(H)2{1|C<4>,1|N<3>,1|O<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]CC)(O[5]C[5]){1|C<3>,1|N<3>,1|O<1>,5|H<1>}	109.7960	0.000	1	109.7960	0.000	1	109.4587	0.086	3	109.4587	0.086	3	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:3:	3:4:1:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[6]C[6,6a]O)	C[5](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]2)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[6]C[6,6a]O)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[6]C[6,6a]O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]2)(H)2{1|O<1>,2|C<3>,2|O<2>,6|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[6]C[6,6a]O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	111.6940	0.667	4	111.6940	0.445	4	111.6940	0.445	4	110.3969	2.961	21	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:3:	3:4:1:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]S[6]C)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]H){1|C<4>,1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2{2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]S[6]C){3|C<3>,3|H<1>}	109.2595	0.234	2	109.2595	0.055	2	109.1360	0.619	9	110.3969	2.961	21	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:3:	3:4:1:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]N)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]H){1|N<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]N){1|C<3>,7|H<1>}	110.2120	0.000	1	110.2120	0.000	1	109.1360	0.619	9	110.3969	2.961	21	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:3:	3:4:1:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5]C)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]S[6]H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]H){1|N<2>,1|S<2>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5]C)(H)2{3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]S[6]H){3|C<3>,3|H<1>}	107.8835	0.316	2	107.8835	0.100	2	109.1360	0.619	9	110.3969	2.961	21	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:3:	3:4:1:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]S[6]C)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]S[6]C){3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]H){1|C<4>,1|N<2>,1|S<2>,2|C<3>,2|H<1>}	109.6035	0.050	2	109.6035	0.003	2	109.1360	0.619	9	110.3969	2.961	21	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:3:	3:4:1:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]S[6]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5]C)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]S[6]H){3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5]C)(H)2{1|S<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]H){1|N<2>,1|S<2>,2|C<3>,3|H<1>}	109.2595	0.039	2	109.2595	0.002	2	109.1360	0.619	9	110.3969	2.961	21	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:3:	3:4:1:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:N[6]-3:	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]C)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]Co)	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]C){1|Co<4>,1|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]Co){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	111.1015	0.356	2	111.1015	0.127	2	110.2785	2.052	4	110.3969	2.961	21	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:3:	3:4:1:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:N[6]-3:	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]C)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]Ir)	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]C){1|Ir<8>,1|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]Ir){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	110.7440	0.000	1	110.7440	0.000	1	110.2785	2.052	4	110.3969	2.961	21	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:3:	3:4:1:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:N[6]-3:	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HO)(N[6]C[6]Al)	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]H){1|Al<5>,1|C<3>,1|O<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2{1|C<3>,1|N<3>,1|O<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HO)(N[6]C[6]Al){1|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	108.1670	0.000	1	108.1670	0.000	1	110.2785	2.052	4	110.3969	2.961	21	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:3:	3:4:1:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HO)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]O){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)(H)2{2|C<4>,2|O<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HO)(C[5]C[5]O){1|O<1>,3|H<1>,4|C<4>}	115.2560	0.000	1	115.2560	0.000	1	115.2560	0.000	1	110.3969	2.961	21	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:3:	3:4:1:1:	3:4:3:	C[5,6]-3:C[5]-4:N[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]Co)	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]C)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]Co){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]HH)(H)2{1|Co<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]C){1|Co<4>,1|C<3>,5|H<1>}	111.1220	0.952	2	111.1220	0.906	2	110.9880	0.507	3	110.3969	2.961	21	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:3:	3:4:1:1:	3:4:3:	C[5,6]-3:C[5]-4:N[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]Ir)	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]C)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]Ir){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]HH)(H)2{1|Ir<8>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]C){1|Ir<8>,1|C<3>,5|H<1>}	110.7200	0.000	1	110.7200	0.000	1	110.9880	0.507	3	110.3969	2.961	21	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:3:	3:4:1:1:	4:3:2:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[6]-4:C[5,6]-3:O[5]-2:	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(H)2	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]C[6])(O[5]C[5])	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(H)2{1|O<1>,2|C<4>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]C[6])(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	109.3760	0.000	1	109.3760	0.000	1	109.3760	0.000	1	109.3760	0.000	1	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:3:	3:4:1:1:	4:3:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5,6]-3:N[6]-3:	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]N[6]N)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5]C[6])(N[6]C[6]H)	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]N[6]N){2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5]C[6])(N[6]C[6]H){1|N<2>,2|C<3>,2|N<3>,4|H<1>}	111.3470	0.000	1	111.3470	0.000	1	111.3470	0.000	1	112.6130	3.206	2	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:3:	3:4:1:1:	4:3:3:	C[5,6]-3:C[5]-4:N[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]H)	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]HH)(H)2	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]N[6])(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]N[6])(C[5]C[5]O){4|C<3>,5|H<1>}	113.8790	0.000	1	113.8790	0.000	1	113.8790	0.000	1	112.6130	3.206	2	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:3:	3:4:1:1:	4:3:4:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]HH)(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]C[6])(C[5]C[5]HH)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]HH)(C[6]C[6]O){1|O<2>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]C[6])(C[5]C[5]HH){1|C<4>,1|N<3>,2|O<1>,3|C<3>,4|H<1>}	112.8520	0.000	1	112.8520	0.000	1	112.8520	0.000	1	112.6860	0.055	2	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:3:	3:4:1:1:	4:3:4:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2H)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2H)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HH){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	112.5200	0.000	1	112.5200	0.000	1	112.5200	0.000	1	112.6860	0.055	2	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:3:	3:4:2:1:	4:3:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[3]-4:O[5]-2:H-1:	C[6,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[3]O[5]H)(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6])(C[3]C[3]2C)(O[5]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]O)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[3]O[5]H)(C[6]C[6]O){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[3]C[3]2C)(O[5]C[5])(H){2|O<1>,3|C<4>,3|H<1>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]O){1|O<1>,4|C<4>,4|H<1>}	110.3485	0.647	4	110.3485	0.418	4	110.3485	0.418	4	110.3485	0.418	4	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:3:	3:4:3:1:	3:3:2:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:N-3:H-1:	C[6,6a]-3:C[5,6]-3:O[5]-2:	C[5,6](C[5,6]C[6,6a]O[5])(C[5]C[5]HN)(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CC)(NC[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O[5]C[5])	C[5,6](C[5,6]C[6,6a]O[5])(C[5]C[5]HN)(C[6]C[6]O){1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CC)(NC[6a]H)(H){1|O<1>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O[5]C[5]){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	108.8600	0.000	1	108.8600	0.000	1	108.8600	0.000	1	108.8600	0.000	1	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:3:	3:4:3:1:	3:3:4:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:P[5]-4:C[6]-3:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5]H)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(P[5]C[5]C[6]Pd)(C[6]C[6]N[6])(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5]H)(C[6]C[6]H){1|Pd<4>,1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(P[5]C[5]C[6]Pd)(C[6]C[6]N[6])(H){3|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH){1|Pd<4>,1|N<2>,2|C<3>,2|C<4>,4|H<1>}	113.6870	0.000	1	113.6870	0.000	1	113.2615	0.362	2	113.2615	0.362	2	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:3:	3:4:3:1:	3:3:4:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:P[5]-4:C[6]-3:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5]H)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]Pd)(C[6]C[6]N[6])(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5]H)(C[6]C[6]H){1|Pd<4>,1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]Pd)(C[6]C[6]N[6])(H){2|C<4>,2|H<1>,5|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH){1|Pd<4>,1|C<4>,1|N<2>,3|C<3>,4|H<1>}	112.8360	0.000	1	112.8360	0.000	1	113.2615	0.362	2	113.2615	0.362	2	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:3:	3:4:3:1:	3:4:3:	C[5,6]-3:C[5]-4:N[6]-3:	C[5,6]-3:C[5]-4:O-3:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HO)(N[6]C[6]Al)	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]CC)(OAl2)(H)	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HO)(N[6]C[6]Al){1|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]CC)(OAl2)(H){2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]H){1|Al<5>,1|C<3>,1|O<3>,2|C<4>,2|H<1>}	112.0910	0.000	1	112.0910	0.000	1	112.0910	0.000	1	112.0910	0.000	1	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:3:	3:4:3:2:	3:4:2:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:C-3:O-2:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]CO)(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(COO)(OH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]CO)(C[6]C[6]O){2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(COO)(OH){1|O<1>,2|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	109.6760	0.000	1	109.6760	0.000	1	109.6760	0.000	1	109.6760	0.000	1	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:3:	3:4:4:1:	3:3:2:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:C-4:H-1:	C[5,6]-3:C[6]-3:O[5]-2:	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]CH)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(CH3)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]C)(O[5]C[5])	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]CH)(C[6]C[6]H){2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]C)(O[5]C[5]){2|C<4>,5|H<1>}	110.6630	0.000	1	110.6630	0.000	1	110.6630	0.000	1	110.0045	0.234	4	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:3:	3:4:4:1:	3:3:2:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:C-4:H-1:	C[6,6a]-3:C[5,6]-3:O[5]-2:	C[5,6](C[5,6]C[6,6a]O[5])(C[5]C[5]CH)(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(CH3)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O[5]C[5])	C[5,6](C[5,6]C[6,6a]O[5])(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	110.0450	0.000	1	109.7850	0.062	3	109.7850	0.062	3	110.0045	0.234	4	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:3:	3:4:4:1:	3:3:2:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:C-4:H-1:	C[6,6a]-3:C[5,6]-3:O[5]-2:	C[5,6](C[5,6]C[6,6a]O[5])(C[5]C[5]CH)(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(CH3)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O[5]C[5])	C[5,6](C[5,6]C[6,6a]O[5])(C[5]C[5]CH)(C[6]C[6]O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(CH3)(H){1|O<1>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O[5]C[5]){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	109.6550	0.153	2	109.7850	0.062	3	109.7850	0.062	3	110.0045	0.234	4	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:3:	3:4:4:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:C-4:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]N)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]N){1|C<3>,7|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]H){1|N<3>,2|C<4>,4|H<1>}	111.1900	0.000	1	111.1900	0.000	1	111.1900	0.000	1	111.1900	0.000	1	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:3:	3:4:4:4:	3:3:2:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:C-4:C-4:	C[6,6a]-3:C[5,6]-3:O[5]-2:	C[5,6](C[5,6]C[6,6a]O[5])(C[5]C[5]CC)(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(CH3)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O[5]C[5])	C[5,6](C[5,6]C[6,6a]O[5])(C[5]C[5]CC)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(CH3)2{1|O<1>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O[5]C[5]){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	109.8685	0.115	2	109.8685	0.013	2	109.8685	0.013	2	109.8685	0.013	2	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:3:	3:4:4:4:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CC)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)2	C[5,6](C[5,6]C[5]C[6])(C[6]N[6]HH)(C[5]C[5]H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CC)(C[6]C[6]H){1|N<3>,1|O<1>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]N[6]HH)(C[5]C[5]H){1|C<3>,3|C<4>,3|H<1>}	109.8020	0.000	1	109.8020	0.000	1	109.8020	0.000	1	109.8020	0.000	1	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:3:	4:3:1:1:	3:3:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-4:C[5,6]-3:H-1:H-1:	C[6,6a]-3:C[5,6]-3:C[5,6]-3:	C[5,6](C[5,6]C[6,6a]C[5,6])(C[5]C[5,6]HH)(C[6]C[6]Br)	C[5](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,6]C[6])(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5,6])(C[5]C[5,6]HH)(C[6]C[6]Br){1|C<4>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,6]C[6])(H)2{1|Br<1>,1|O<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]){1|Br<1>,1|C<4>,1|O<1>,3|H<1>,5|C<3>}	110.1780	0.000	1	110.1780	0.000	1	110.1780	0.000	1	110.1780	0.000	1	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:3:	4:3:1:1:	4:3:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-4:C[5,6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5,5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]C[6])(H)2	C[5,6](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6]C[5]C[6])(C[6]C[6]O)	C[5,6](C[5,6]C[5,5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]C[6])(H)2{2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6]C[5]C[6])(C[6]C[6]O){3|C<3>,3|C<4>,6|H<1>}	109.8020	0.000	1	109.8020	0.000	1	109.8020	0.000	1	112.0850	10.424	2	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:3:	4:3:1:1:	4:3:3:	C[5,6]-3:C[5]-4:N[6]-3:	C[5,5]-4:C[5,6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(N[6]C[6]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]N[6])(H)2	C[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[5]N[6])(C[6]C[6]H)	C[5,6](C[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]N[6])(H)2{1|C<4>,1|N<4>,2|C<3>,4|H<1>}	C[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[5]N[6])(C[6]C[6]H){1|C<3>,3|C<4>,6|H<1>}	114.3680	0.000	1	114.3680	0.000	1	114.3680	0.000	1	112.0850	10.424	2	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:3:	4:3:2:1:	4:3:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-4:C[5,6]-3:O-2:H-1:	C[5,6]-4:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HO)(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(OC)(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6])(C[6]C[6]O)	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HO)(C[6]C[6]O){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(OC)(H){1|O<1>,2|C<3>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6])(C[6]C[6]O){1|C<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	111.4260	0.000	1	111.4260	0.000	1	111.4030	0.001	2	111.4030	0.001	2	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:3:	4:3:2:1:	4:3:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-4:C[5,6]-3:O-2:H-1:	C[5,6]-4:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HO)(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(OH)(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6])(C[6]C[6]O)	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HO)(C[6]C[6]O){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(OH)(H){1|O<1>,2|C<3>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6])(C[6]C[6]O){1|C<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	111.3800	0.000	1	111.3800	0.000	1	111.4030	0.001	2	111.4030	0.001	2	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:3:	4:3:3:1:	3:4:2:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,5]-4:C[5,6]-3:C-3:H-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,5]CH)(C[6]C[6]O)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5,6]C[6])(CC[6a]O)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5,5])	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,5]CH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5,6]C[6])(CC[6a]O)(H){1|N<3>,2|C<3>,2|C<4>,2|O<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5,5]){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	110.5150	0.000	1	110.5150	0.000	1	110.4150	0.020	2	110.4150	0.020	2	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:3:	4:3:3:1:	3:4:2:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,5]-4:C[5,6]-3:C-3:H-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,5]CH)(C[6]C[6]O)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5,6]C[6])(COO)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5,5])	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,5]CH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5,6]C[6])(COO)(H){1|N<3>,2|C<3>,2|C<4>,2|O<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5,5]){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	110.3150	0.000	1	110.3150	0.000	1	110.4150	0.020	2	110.4150	0.020	2	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:3:	4:3:4:1:	3:3:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,5]-4:C[5,6]-3:C-4:H-1:	N[5,5]-3:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]N[5,5]C[6])(C[5]C[5,5]CH)(C[6]C[6]O)	C[5](C[5,5]C[3,5]N[5,5]O)(C[5,6]C[5,6]C[6])(CHHO)(H)	C[5,6](N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6])(C[6]C[6]O)	C[5,6](C[5,6]N[5,5]C[6])(C[5]C[5,5]CH)(C[6]C[6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5,5]C[3,5]N[5,5]O)(C[5,6]C[5,6]C[6])(CHHO)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5,6](N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6])(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	108.6850	0.000	1	108.6850	0.000	1	108.6850	0.000	1	108.6850	0.000	1	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:4:	3:2:1:1:	3:3:3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:O[5]-2:H-1:H-1:	N[4,6]-3:C[5,6]-3:C[5]-3:	C[5,6](C[5,6]N[4,6]C[5])(C[5]O[5]HH)(C[6]S[6]HH)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	C[5,6](N[4,6]C[4,6]C[4])(C[5,6]C[5]C[6])(C[5]O[5]O)	C[5,6](C[5,6]N[4,6]C[5])(C[5]O[5]HH)(C[6]S[6]HH){1|C<3>,1|C<4>,1|O<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|N<3>,1|O<1>,1|S<2>,2|H<1>}	C[5,6](N[4,6]C[4,6]C[4])(C[5,6]C[5]C[6])(C[5]O[5]O){1|C<4>,1|O<1>,1|S<2>,5|H<1>}	108.2700	0.000	1	108.2700	0.000	1	108.2700	0.000	1	108.2700	0.000	1	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:4:	3:2:1:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]2H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]CC)(C[5]O[5]O)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]2H){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]CC)(C[5]O[5]O){2|C<4>,5|H<1>}	108.9330	0.000	1	108.9330	0.000	1	109.6300	0.398	6	109.7610	0.347	8	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:4:	3:2:1:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]BH)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]BH){1|C<2>,1|C<3>,1|O<1>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O){1|B<4>,1|C<3>,4|H<1>}	108.7450	0.000	1	108.7450	0.000	1	109.6300	0.398	6	109.7610	0.347	8	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:4:	3:2:1:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O){1|C<4>,2|O<2>,4|H<1>}	110.0255	0.178	4	110.0255	0.032	4	109.6300	0.398	6	109.7610	0.347	8	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:4:	3:2:1:1:	3:4:3:	C[5,6]-3:C[6]-4:C[5]-4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]HO)(C[5]O[5]HH)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CC)(C[5]O[5]O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]HO)(C[5]O[5]HH){1|H<1>,1|O<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CC)(C[5]O[5]O){1|O<2>,2|C<4>,4|H<1>}	110.1540	0.170	2	110.1540	0.029	2	110.1540	0.029	2	109.7610	0.347	8	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:4:	3:2:1:1:	3:4:4:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[6]C[6]CC)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO){3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[6]C[6]CC){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	110.2470	0.000	1	110.2470	0.000	1	110.2390	0.000	2	110.2390	0.000	2	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:4:	3:2:1:1:	3:4:4:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]CH)(C[6]C[6]HO)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]CH)(C[6]C[6]HO){1|Cl<1>,1|C<4>,1|O<2>,4|H<1>}	110.2310	0.000	1	110.2310	0.000	1	110.2390	0.000	2	110.2390	0.000	2	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:4:	3:2:1:1:	4:3:3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	C[5,6](C[5]C[6a]O[5]H)(C[5,6]C[5]C[6])(C[6]O[6]O)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5]C[6a]O[5]H)(C[5,6]C[5]C[6])(C[6]O[6]O){1|C<4>,2|C<3>,4|H<1>}	109.5620	0.000	1	109.5620	0.000	1	109.5620	0.000	1	109.8685	0.288	4	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:4:	3:2:1:1:	4:3:3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[6,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]O)	C[5,6](C[5,6]C[6,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH){1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]O){1|O<2>,3|C<4>,6|H<1>}	110.6380	0.000	1	110.6380	0.000	1	109.9707	0.370	3	109.8685	0.288	4	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:4:	3:2:1:1:	4:3:3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[6,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]O)	C[5,6](C[5,6]C[6,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH){1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]O){1|C<3>,3|C<4>,6|H<1>}	109.4480	0.000	1	109.6370	0.071	2	109.9707	0.370	3	109.8685	0.288	4	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:4:	3:2:1:1:	4:3:3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[6,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]O)	C[5,6](C[5,6]C[6,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH){1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]O){4|C<4>,6|H<1>}	109.8260	0.000	1	109.6370	0.071	2	109.9707	0.370	3	109.8685	0.288	4	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:4:	3:2:1:1:	4:3:4:	C[5,6]-3:C[6]-4:C[5]-4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6a]C[6]H)(C[5]O[5]HH)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6a]C[6]H)(C[5]O[5]HH){2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])(C[5]O[5]HH){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	109.1420	0.000	1	109.1420	0.000	1	109.1420	0.000	1	109.3135	0.059	2	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:4:	3:2:1:1:	4:3:4:	C[5,6]-3:C[6]-4:C[5]-4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6a]C[6]H)(C[5]O[5]HH)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6a]C[6]H)(C[5]O[5]HH){1|C<4>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH){1|C<4>,4|C<3>,4|H<1>}	109.4850	0.000	1	109.4850	0.000	1	109.4850	0.000	1	109.3135	0.059	2	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:4:	3:2:2:2:	3:3:3:	C[5,6]-3:C[6]-4:C[5]-4:	C[5,6]-3:O[5]-2:O-2:O-2:	C[5,6]-3:C[6]-3:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CC)(C[5]O[5]OO)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(OC[6a])2	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]C)(C[5]O[5]O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CC)(C[5]O[5]OO){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(OC[6a])2{1|C<3>,1|O<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]C)(C[5]O[5]O){1|C<3>,2|O<2>,3|C<4>}	109.8930	0.000	1	109.8930	0.000	1	109.8930	0.000	1	109.8930	0.000	1	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:4:	3:2:3:1:	3:4:4:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:O[5]-2:C-3:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]CH)(C[6]C[6]HO)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(CCH)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]CH)(C[6]C[6]HO){1|Cl<1>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(CCH)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	110.7320	0.000	1	110.7320	0.000	1	110.7320	0.000	1	110.7320	0.000	1	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:4:	3:3:1:1:	3:3:3:	C[5,6]-3:C[6]-4:C[5]-4:	C[5,5a]-3:C[5,6]-3:H-1:H-1:	C[5,5a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6](C[5,6]C[5,5a]C[6,6a])(C[6]C[6a]N[6]H)(C[5]C[5,5a]HH)	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5,6]C[6])(H)2	C[5,6](C[5,5a]C[5a,6a]C[5,5a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5a]C[6,6a])(C[6]C[6a]N[6]H)(C[5]C[5,5a]HH){1|N<3>,1|S<4>,5|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5,6]C[6])(H)2{1|H<1>,1|N<3>,1|S<4>,4|C<3>}	C[5,6](C[5,5a]C[5a,6a]C[5,5a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]){2|N<3>,4|H<1>,5|C<3>}	111.9730	0.000	1	111.9730	0.000	1	111.9730	0.000	1	110.7020	1.342	3	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:4:	3:3:1:1:	3:3:3:	C[5,6]-3:C[6]-4:C[5]-4:	C[5,6]-3:N[5]-3:H-1:H-1:	N[6,6]-3:C[5,6]-3:C[5]-3:	C[5,6](C[5,6]N[6,6]C[5])(C[6]C[6a]C[6]H)(C[5]N[5]HH)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(H)2	C[5,6](N[6,6]C[6,6]C[6])(C[5,6]C[5]C[6])(C[5]N[5]O)	C[5,6](C[5,6]N[6,6]C[5])(C[6]C[6a]C[6]H)(C[5]N[5]HH){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6](N[6,6]C[6,6]C[6])(C[5,6]C[5]C[6])(C[5]N[5]O){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	109.7050	0.000	1	109.7050	0.000	1	109.7050	0.000	1	110.7020	1.342	3	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:4:	3:3:1:1:	3:3:3:	C[5,6]-3:C[6]-4:C[5]-4:	C[5,6a]-3:C[5,6]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5,6a]C[6])(C[6]C[6a]N[6]H)(C[5]C[5,6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]H)	C[5,6](C[5,6]C[5,6a]C[6])(C[6]C[6a]N[6]H)(C[5]C[5,6a]HH){1|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H)2{1|N<3>,2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]H){1|N<3>,4|C<3>,4|H<1>}	110.4280	0.000	1	110.4280	0.000	1	110.4280	0.000	1	110.7020	1.342	3	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:4:	3:3:1:1:	3:3:4:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6a]-3:C[5,6]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]CC){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H)2{1|H<1>,2|C<3>,4|C<4>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH){2|C<3>,3|H<1>,5|C<4>}	110.2650	0.000	1	110.2650	0.000	1	110.2650	0.000	1	110.2650	0.000	1	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:4:	3:3:2:1:	3:4:4:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:N[5]-3:O-2:H-1:	C[5,6]-3:C[6]-4:S[5]-4:	C[5,6](C[5,6]C[6]S[5])(C[5]N[5]HO)(C[6]C[6]HH)	C[5](C[5,6]C[5,6]C[6])(N[5]C[6a]S[5])(OO)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(S[5]N[5]OO)	C[5,6](C[5,6]C[6]S[5])(C[5]N[5]HO)(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<1>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[6a]S[5])(OO)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>,2|O<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(S[5]N[5]OO){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	115.7650	0.000	1	115.7650	0.000	1	115.7650	0.000	1	115.7650	0.000	1	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:4:	3:3:2:2:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:C[5]-3:O[5]-2:O-2:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]O)(C[6]C[6]CC)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2)(O[5]C[5])(OH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]O)(C[6]C[6]CC){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2)(O[5]C[5])(OH){1|C<3>,1|H<1>,1|O<1>,7|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	109.1550	0.000	1	109.1550	0.000	1	109.1550	0.000	1	109.1550	0.000	1	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:4:	3:3:3:1:	3:3:3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6](C[5,6]C[5,6a]C[6,6a])(C[5]C[5,6a]C[6a]H)(C[6]N[6]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6,6a])(C[5]C[5,6a]C[6a]H)(C[6]N[6]HH){1|S<4>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,5|C<3>,5|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]){1|N<3>,5|C<3>,5|H<1>}	112.5520	0.000	1	112.5520	0.000	1	112.5520	0.000	1	112.5520	0.000	1	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:4:	3:3:4:1:	3:3:3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-3:N[5]-3:	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5]C[5]S)	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5]C[5]S){2|C<4>,3|C<3>,5|H<1>}	112.2490	0.000	1	112.2490	0.000	1	112.2490	0.000	1	112.2490	0.000	1	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:4:	3:3:4:1:	3:3:4:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6a]-3:C[5,6]-3:P-4:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HP)(C[6]C[6,6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(PO3)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6,6a]CC)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HP)(C[6]C[6,6a]HH){6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(PO3)(H){1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6,6a]CC){1|P<4>,4|C<3>,4|H<1>}	110.6640	0.000	1	110.6640	0.000	1	110.6640	0.000	1	110.6640	0.000	1	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:4:	3:3:4:1:	3:4:3:	C[5,6]-3:C[6]-4:C[5]-4:	C[5,6]-3:C[5]-3:Si-4:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CH)(C[5]C[5]SiH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]H)(SiC3)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CH)(C[5]C[5]H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CH)(C[5]C[5]SiH){1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]H)(SiC3)(H){2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CH)(C[5]C[5]H){1|Si<4>,1|O<2>,2|C<4>,4|H<1>}	109.0980	0.000	1	109.0980	0.000	1	109.0980	0.000	1	109.0980	0.000	1	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:4:	3:3:4:3:	3:3:4:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6a]-3:C[5,6]-3:C-4:N-3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CN)(C[6]N[6]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CH3)(NOO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]NN)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CN)(C[6]N[6]HH){1|C<4>,1|S<4>,2|C<3>,2|N<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CH3)(NOO){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]NN){1|C<4>,2|C<3>,2|N<3>,5|H<1>}	109.9470	0.000	1	109.9470	0.000	1	109.9470	0.000	1	109.9470	0.000	1	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:4:	3:3:4:4:	3:3:2:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6a]-3:C[5,6]-3:C-4:C-4:	C[5,6a]-3:C[5,6]-3:O[6]-2:	C[5,6](C[5,6]C[5,6a]O[6])(C[5]C[5,6a]CC)(C[6]C[6]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CC[6a]HH)(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[6])	C[5,6](C[5,6]C[5,6a]O[6])(C[5]C[5,6a]CC)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CC[6a]HH)(CH3){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[6]){2|C<3>,3|C<4>,5|H<1>}	110.0740	0.000	1	110.0740	0.000	1	110.0740	0.000	1	110.0740	0.000	1	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-3:N[5]-3:	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[5]HH)(C[6]N[6]CH)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5]C[5]S)	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[5]HH)(C[6]N[6]CH){1|S<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5]C[5]S){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	111.7320	0.000	1	111.7320	0.000	1	111.7320	0.000	1	111.7320	0.000	1	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:4:	3:4:1:1:	3:4:4:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HN)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,7|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HN){1|C<4>,8|H<1>}	111.1425	0.535	2	111.1425	0.287	2	111.7390	0.680	4	113.8998	6.244	10	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:4:	3:4:1:1:	3:4:4:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HN)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HN){1|C<4>,8|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,7|H<1>}	112.3355	0.575	2	112.3355	0.330	2	111.7390	0.680	4	113.8998	6.244	10	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:4:	3:4:1:1:	3:4:4:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:P[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]P[5]HH)(C[6]C[6]HH)	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]O)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]P[5]HH)(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]P[5]HH)(C[6]C[6]HH){1|O<2>,2|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]O)(H)2{1|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]P[5]HH)(C[6]C[6]HH){1|O<2>,2|C<3>,5|H<1>}	117.2405	0.402	2	117.2405	0.162	2	117.2405	0.162	2	113.8998	6.244	10	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:4:	3:4:1:1:	3:4:4:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:S[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]S[5]HH)(C[6]C[6]HH)	C[5](C[5,6]C[5,6]C[6])(S[5]C[5]OO)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]S[5]HH)(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]S[5]HH)(C[6]C[6]HH){2|C<3>,2|O<1>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(S[5]C[5]OO)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]S[5]HH)(C[6]C[6]HH){2|C<3>,2|O<1>,4|H<1>}	116.0855	0.733	2	116.0855	0.538	2	116.0855	0.538	2	113.8998	6.244	10	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:4:	3:4:1:1:	3:4:4:	C[5,6]-3:C[6]-4:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[3,6]HH)(C[5]C[5]HH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[3,6]HH)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[3,6]HH)(C[5]C[5]HH){1|C<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)(H)2{2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[3,6]HH)(C[5]C[5]HH){1|C<3>,2|C<4>,6|H<1>}	112.6950	0.040	2	112.6950	0.002	2	112.6950	0.002	2	113.8998	6.244	10	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:4:	3:4:1:1:	4:3:2:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[6]-4:C[5,6]-3:S[5]-2:	C[5,6](C[5,6]C[6]S[5])(C[5]C[5]HH)(C[6]S[6]CH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]S[5]H)(H)2	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]C[6])(S[5]C[5])	C[5,6](C[5,6]C[6]S[5])(C[5]C[5]HH)(C[6]S[6]CH){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]S[5]H)(H)2{1|C<4>,1|H<1>,1|S<4>,3|C<3>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]C[6])(S[5]C[5]){1|S<4>,5|C<3>,5|H<1>}	115.0635	0.807	2	115.0635	0.651	2	115.0635	0.651	2	115.0635	0.651	2	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:4:	3:4:2:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:C[5]-4:O[5]-2:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[6]C[6]CC)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]O)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[6]C[6]CC){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2H)(O[5]C[5])(H){1|C<3>,1|O<1>,2|H<1>,7|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]O){3|H<1>,4|C<4>}	109.1880	0.000	1	109.1880	0.000	1	109.1880	0.000	1	108.9405	0.104	4	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:4:	3:4:2:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:C[5]-4:O[5]-2:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[6]C[6]CH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2C)(O[5]C[5])(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]CH)(C[5]O[5]O)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[6]C[6]CH){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2C)(O[5]C[5])(H){1|C<3>,1|O<1>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]CH)(C[5]O[5]O){3|C<4>,4|H<1>}	108.6620	0.000	2	108.6620	0.000	2	108.6620	0.000	2	108.9405	0.104	4	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:4:	3:4:2:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]O[5]H)(C[6]C[6]HH)	C[5](C[5,6]C[5,6]C[6])(C[6]C[6]2H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]O[5]H)(C[6]C[6]HH){1|O<1>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[6]C[6]2H)(O[5]C[5])(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O){2|C<4>,5|H<1>}	109.2500	0.000	1	109.2500	0.000	1	109.2500	0.000	1	108.9405	0.104	4	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:4:	3:4:2:1:	3:4:4:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:C[5]-4:O[5]-2:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[6]C[6]CC)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[6]C[6]CC){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2H)(O[5]C[5])(H){1|O<1>,2|H<1>,8|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO){3|H<1>,4|C<4>}	109.6400	0.000	1	109.6400	0.000	1	109.6400	0.000	1	109.6400	0.000	1	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:4:	3:4:2:2:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:C[5]-4:O[5]-2:O-2:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]O)(C[6]C[6]CH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2C)(O[5]C[5])(OH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]CH)(C[5]O[5]O)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]O)(C[6]C[6]CH){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2C)(O[5]C[5])(OH){1|C<3>,1|O<1>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]CH)(C[5]O[5]O){1|O<2>,3|C<4>,3|H<1>}	109.4140	0.000	1	109.5550	0.040	2	109.5550	0.040	2	109.5550	0.040	2	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:4:	3:4:2:2:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:C[5]-4:O[5]-2:O-2:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]O)(C[6]C[6]CH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2C)(O[5]C[5])(OH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]CH)(C[5]O[5]O)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]O)(C[6]C[6]CH){1|O<1>,3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2C)(O[5]C[5])(OH){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]CH)(C[5]O[5]O){1|O<2>,3|C<4>,3|H<1>}	109.6960	0.000	1	109.5550	0.040	2	109.5550	0.040	2	109.5550	0.040	2	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:4:	3:4:3:1:	4:3:3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]CH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O[5]H)(C[5]C[5]C)(H)	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])(C[5]C[5]O)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]CH){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O[5]H)(C[5]C[5]C)(H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])(C[5]C[5]O){1|C<3>,1|O<1>,5|H<1>,6|C<4>}	112.0420	0.000	1	112.0420	0.000	1	111.9785	0.008	2	111.9785	0.008	2	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:4:	3:4:3:1:	4:3:3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]CO)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O[5]H)(C[5]C[5]C)(H)	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])(C[5]C[5]O)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]CO){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O[5]H)(C[5]C[5]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])(C[5]C[5]O){1|C<3>,1|O<1>,1|O<2>,4|H<1>,6|C<4>}	111.9150	0.000	1	111.9150	0.000	1	111.9785	0.008	2	111.9785	0.008	2	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:4:	3:4:4:1:	3:3:3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:C[5]-4:C-4:H-1:	C[5,6]-3:C[5]-3:N[6]-3:	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]CH)(C[6]C[6]HH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O)(N[6]C[6]S)	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]CH)(C[6]C[6]HH){1|C<4>,1|O<1>,1|S<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O)(N[6]C[6]S){3|C<4>,6|H<1>}	112.0670	0.000	1	112.0670	0.000	1	112.0670	0.000	1	112.0670	0.000	1	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:4:	3:4:4:1:	4:3:3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]CO)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O[5]H)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])(C[5]C[5]O)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]CO){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O[5]H)(C[5]C[5]CH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])(C[5]C[5]O){1|O<1>,1|O<2>,5|H<1>,7|C<4>}	112.6630	0.000	1	112.6630	0.000	1	112.6630	0.000	1	112.6630	0.000	1	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:4:	3:4:4:4:	3:3:4:	C[5,6]-3:C[6]-4:C[5]-4:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]Cu2)(C[5]C[5]CC)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCHH)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]H)(C[5]C[5]CC)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]Cu2)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCHH)2{1|Cu<2>,1|Cu<3>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]H)(C[5]C[5]CC){1|Cu<2>,1|Cu<3>,1|C<3>,2|H<1>,3|C<4>}	110.4465	0.319	2	110.5247	0.067	4	110.5247	0.067	4	110.5247	0.067	4	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:4:	3:4:4:4:	3:3:4:	C[5,6]-3:C[6]-4:C[5]-4:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]Cu2)(C[5]C[5]CC)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCHH)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]H)(C[5]C[5]CC)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]Cu2)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCHH)2{2|Cu<2>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]H)(C[5]C[5]CC){2|Cu<2>,1|C<3>,2|H<1>,3|C<4>}	110.6030	0.273	2	110.5247	0.067	4	110.5247	0.067	4	110.5247	0.067	4	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:4:	3:4:4:4:	4:3:4:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:C[5]-4:C-4:C-4:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CC)(C[6]C[6]HH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CC)(C[6]C[6]HH){2|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)(CH3){2|C<4>,4|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH){1|C<3>,4|C<4>,7|H<1>}	113.2885	0.293	2	113.2885	0.086	2	113.2885	0.086	2	113.2885	0.086	2	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:4:	4:3:1:1:	4:3:4:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[6]-4:	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[3,6]HH)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6])(C[6]C[3,6]HH)	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[3,6]HH){4|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(H)2{4|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6])(C[6]C[3,6]HH){1|O<2>,4|C<4>,7|H<1>}	111.9140	0.000	1	111.9140	0.000	1	111.9140	0.000	1	111.9140	0.000	1	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:4:	4:3:1:1:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-4:	C[3,5]-4:C[5,6]-3:H-1:H-1:	C[3,5]-4:C[5,6]-4:C[5,6]-3:	C[5,6](C[5,6]C[3,5]C[5,6])(C[5]C[3,5]HH)(C[6]C[6]HH)	C[5](C[3,5]C[3,5]C[3,6]H)(C[5,6]C[5,6]C[6])(H)2	C[5,6](C[3,5]C[3,5]C[3,6]H)(C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])	C[5,6](C[5,6]C[3,5]C[5,6])(C[5]C[3,5]HH)(C[6]C[6]HH){3|C<4>,5|H<1>}	C[5](C[3,5]C[3,5]C[3,6]H)(C[5,6]C[5,6]C[6])(H)2{3|H<1>,4|C<4>}	C[5,6](C[3,5]C[3,5]C[3,6]H)(C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]){6|C<4>,7|H<1>}	111.5510	0.000	1	111.5510	0.000	1	111.5510	0.000	1	111.5510	0.000	1	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	3:4:4:	4:3:4:1:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-3:	C[5,6](C[5,6]C[5,5,6]C[5,6])(C[5]C[5,6]C[5]H)(C[6]C[6]CO)	C[5](C[5,6]C[5,5,6]C[6]O)(C[5,6]C[5,6]C[6])(C[5]C[5]O[5]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,6]O[5])(C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]C[5,6])(C[5]C[5,6]C[5]H)(C[6]C[6]CO){1|C<3>,3|H<1>,4|C<4>,4|O<2>}	C[5](C[5,6]C[5,5,6]C[6]O)(C[5,6]C[5,6]C[6])(C[5]C[5]O[5]H)(H){2|C<3>,3|H<1>,3|O<2>,5|C<4>}	C[5,6](C[5,5,6]C[5,6]O[5,6]O[5])(C[5,6]C[5]2C[6])(C[5,6]C[5]C[6]){1|O<1>,2|O<2>,4|H<1>,9|C<4>}	109.8350	0.000	1	109.8350	0.000	1	109.8350	0.000	1	109.8350	0.000	1	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	4:3:2:	3:3:3:4:	3:3:4:	C[5]-4:C[5,6]-3:O[6]-2:	C[5,6a]-3:C[5,6]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6](C[5]C[5,6a]C[6a]C)(C[5,6]C[5,6a]C[6])(O[6]C[6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6])(C[6a]C[6a]2)(CCHH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6])(C[6]C[6]HH)	C[5,6](C[5]C[5,6a]C[6a]C)(C[5,6]C[5,6a]C[6])(O[6]C[6]){1|C<4>,4|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6])(C[6a]C[6a]2)(CCHH){2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6])(C[6]C[6]HH){2|C<4>,3|C<3>,3|H<1>}	113.7605	0.064	2	113.7605	0.004	2	113.7605	0.004	2	113.7605	0.004	2	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	4:3:3:	3:3:2:1:	3:4:4:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6a]-3:O[5]-2:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6](C[5]C[6a]O[5]H)(C[5,6]C[5]C[6])(C[6]O[6]O)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH)	C[5,6](C[5]C[6a]O[5]H)(C[5,6]C[5]C[6])(C[6]O[6]O){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	110.9510	0.000	1	110.9510	0.000	1	110.9510	0.000	1	110.9510	0.000	1	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	4:3:3:	3:3:3:1:	3:3:4:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6a]-3:N[5]-3:H-1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[5]C[6])(C[6]C[6,6a]O)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]N[5]CC)	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[5]C[6])(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]N[5]CC){1|O<1>,2|H<1>,3|C<3>}	111.4070	0.000	1	111.4070	0.000	1	111.4070	0.000	1	111.6433	0.077	6	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	4:3:3:	3:3:3:1:	3:3:4:	C[5]-4:C[5,6]-3:C[6]-3:	N[5,6a]-3:C[5,6]-3:C[6a]-3:H-1:	N[5,6a]-3:C[5,6]-3:C[6]-4:	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)	C[5,6](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)	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>}	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>}	C[5,6](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH){1|C<4>,2|O<1>,3|C<3>,3|H<1>}	111.5340	0.000	1	111.6906	0.079	5	111.6906	0.079	5	111.6433	0.077	6	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	4:3:3:	3:3:3:1:	3:3:4:	C[5]-4:C[5,6]-3:C[6]-3:	N[5,6a]-3:C[5,6]-3:C[6a]-3:H-1:	N[5,6a]-3:C[5,6]-3:C[6]-4:	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)	C[5,6](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)	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>}	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>}	C[5,6](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH){1|C<4>,2|O<1>,3|C<3>,3|H<1>}	111.5840	0.000	1	111.6906	0.079	5	111.6906	0.079	5	111.6433	0.077	6	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	4:3:3:	3:3:3:1:	3:3:4:	C[5]-4:C[5,6]-3:C[6]-3:	N[5,6a]-3:C[5,6]-3:C[6a]-3:H-1:	N[5,6a]-3:C[5,6]-3:C[6]-4:	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)	C[5,6](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)	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>}	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>}	C[5,6](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH){1|H<1>,2|O<1>,3|C<3>,3|C<4>}	111.7783	0.358	3	111.6906	0.079	5	111.6906	0.079	5	111.6433	0.077	6	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	4:3:3:	3:3:3:1:	3:4:2:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6a]-3:C[5]-3:H-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]N)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]N)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|C<4>,1|N<2>,1|O<1>,3|H<1>}	109.4200	0.000	1	109.4200	0.000	1	109.4200	0.000	1	109.4200	0.000	1	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	4:3:3:	3:3:3:3:	3:3:3:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,5]-3:C[5,6]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:C[5,6]-3:C[6]-3:	C[5,6](C[5]C[5,5]C[6a]2)(C[5,6]C[5,5]C[6])(C[6]C[6,6a]H)	C[5](C[5,5]C[5,5]C[5])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)2	C[5,6](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5]C[6])(C[6]C[6,6a]O)	C[5,6](C[5]C[5,5]C[6a]2)(C[5,6]C[5,5]C[6])(C[6]C[6,6a]H){1|O<1>,8|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)2{5|H<1>,9|C<3>}	C[5,6](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5]C[6])(C[6]C[6,6a]O){1|H<1>,7|C<3>}	109.9360	0.000	1	109.9360	0.000	1	109.9360	0.000	1	109.4860	0.405	2	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	4:3:3:	3:3:3:3:	3:3:3:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6](C[5]C[6a]2C[5])(C[5,6]C[5]C[6])(C[6]C[6]C)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)2(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H)	C[5,6](C[5]C[6a]2C[5])(C[5,6]C[5]C[6])(C[6]C[6]C){1|H<1>,2|O<1>,6|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)2(C[5]C[5]O){1|C<4>,4|H<1>,7|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H){1|O<1>,2|C<4>,5|C<3>}	109.0360	0.000	1	109.0360	0.000	1	109.0360	0.000	1	109.4860	0.405	2	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	4:3:3:	3:3:3:4:	3:4:2:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6a]-3:C[5]-3:C-4:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6](C[5]C[6a]C[5]C)(C[5,6]C[6]O[5])(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]N)(CF3)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[5,6](C[5]C[6a]C[5]C)(C[5,6]C[6]O[5])(C[6]C[6]O){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]N)(CF3){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|N<2>,1|O<1>,2|C<4>,2|H<1>}	109.2650	0.000	1	109.2650	0.000	1	109.2650	0.000	1	109.2650	0.000	1	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	4:3:3:	3:3:4:1:	3:4:2:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]CC)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]CC)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<2>,1|H<1>,1|O<1>,2|C<3>,3|C<4>}	111.1070	0.000	1	111.1070	0.000	1	110.3798	0.191	8	110.3886	0.168	9	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	4:3:3:	3:3:4:1:	3:4:2:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]CH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	110.4340	0.574	2	110.2813	0.235	3	110.3798	0.191	8	110.3886	0.168	9	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	4:3:3:	3:3:4:1:	3:4:2:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]CH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	109.9760	0.000	1	110.2813	0.235	3	110.3798	0.191	8	110.3886	0.168	9	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	4:3:3:	3:3:4:1:	3:4:2:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HN)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HN)(H){1|Br<1>,1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	110.6150	0.000	1	110.2717	0.087	4	110.3798	0.191	8	110.3886	0.168	9	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	4:3:3:	3:3:4:1:	3:4:2:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HN)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HN)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	110.3990	0.000	1	110.2717	0.087	4	110.3798	0.191	8	110.3886	0.168	9	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	4:3:3:	3:3:4:1:	3:4:2:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HN)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HN)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	110.0365	0.129	2	110.2717	0.087	4	110.3798	0.191	8	110.3886	0.168	9	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	4:3:3:	3:3:4:1:	3:4:2:	C[5]-4:C[5,6]-3:C[6]-3:	C[6a]-3:C[5,6]-3:C[5]-4:H-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O)	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5]O[5]CH)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5]O[5]CH)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	110.4590	0.000	1	110.4590	0.000	1	110.4590	0.000	1	110.3886	0.168	9	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	4:3:3:	3:3:4:1:	3:4:3:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5,6]-3:C[6]-4:N[5]-3:	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]N[5])(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]CC)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]H)	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]N[5])(C[6]C[6]O){1|C<2>,1|C<4>,3|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]CC)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]H){1|C<2>,1|C<4>,1|O<1>,2|C<3>,3|H<1>}	110.5160	0.206	2	110.5160	0.043	2	110.5160	0.043	2	111.7307	4.448	3	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	4:3:3:	3:3:4:1:	3:4:3:	C[5]-4:C[5,6]-3:N[6]-3:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5]C[6])(N[6]C[6]H)	C[5](C[5,6]C[5,6]N[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]N[6]N)	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5]C[6])(N[6]C[6]H){1|N<2>,2|C<3>,2|N<3>,4|H<1>}	C[5](C[5,6]C[5,6]N[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H){4|C<3>,5|H<1>}	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]N[6]N){2|C<3>,4|H<1>}	114.1600	0.000	1	114.1600	0.000	1	114.1600	0.000	1	111.7307	4.448	3	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	4:3:3:	3:3:4:2:	3:4:2:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6a]-3:C[5]-4:O-2:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6](C[5]C[6a]C[5]O)(C[5,6]C[6]O[5])(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(OH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[5,6](C[5]C[6a]C[5]O)(C[5,6]C[6]O[5])(C[6]C[6]O){1|C<4>,2|C<3>,6|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(OH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	109.6460	0.000	1	109.6460	0.000	1	109.6460	0.000	1	109.6460	0.000	1	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	4:3:3:	3:4:3:1:	3:4:2:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6](C[5]C[5,6]C[6a]H)(C[5,6]C[6]O[5])(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6])(C[5,6]C[6]2O[5])(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5,6])	C[5,6](C[5]C[5,6]C[6a]H)(C[5,6]C[6]O[5])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5,6]C[6]2O[5])(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,3|O<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5,6]){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	111.0690	0.000	1	111.0690	0.000	1	111.0690	0.000	1	110.3210	0.420	3	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	4:3:3:	3:4:3:1:	3:4:2:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[5]-4:C[6a]-3:H-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	109.9470	0.000	2	109.9470	0.000	2	109.9470	0.000	2	110.3210	0.420	3	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	4:3:3:	3:4:3:2:	3:3:3:	C[5]-4:C[5,6]-3:N[6]-3:	C[5,6]-3:C[5]-4:C[6a]-3:C-2:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6](C[5]C[6a]C[5]C)(C[5,6]C[6]N[5])(N[6]C[6]H)	C[5](C[5,6]C[5,6]N[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(CN)	C[5,6](C[5,6]C[5]N[6])(C[6]C[6]H)(N[5]C[5]H)	C[5,6](C[5]C[6a]C[5]C)(C[5,6]C[6]N[5])(N[6]C[6]H){4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]N[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(CN){4|H<1>,6|C<3>}	C[5,6](C[5,6]C[5]N[6])(C[6]C[6]H)(N[5]C[5]H){1|C<2>,3|C<3>,3|H<1>}	108.6307	1.129	3	108.6307	1.274	3	108.6307	1.274	3	108.6307	1.274	3	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	4:3:3:	4:3:3:1:	3:4:2:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,5]-4:C[5,6]-3:C[6a]-3:H-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6](C[5]C[5,5]C[6a]H)(C[5,6]C[6]O[5])(C[6]C[6]O)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5,5])	C[5,6](C[5]C[5,5]C[6a]H)(C[5,6]C[6]O[5])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5,5]){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	110.0465	0.349	2	110.0465	0.122	2	110.0465	0.122	2	110.0465	0.122	2	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	4:3:4:	3:2:1:1:	3:4:3:	C[5,5,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,6]C[5]C[6])(C[5]O[5]HH)	C[5](C[5,6]C[5,5,6]C[5,6])(O[5]C[5])(H)2	C[5,6](C[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(C[5]O[5]O)	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,6]C[5]C[6])(C[5]O[5]HH){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,5,6]C[5,6])(O[5]C[5])(H)2{1|O<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(C[5]O[5]O){1|O<2>,2|C<4>,4|H<1>}	109.9020	0.000	1	109.9020	0.000	1	109.9020	0.000	1	109.2320	0.137	7	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	4:3:4:	3:2:1:1:	3:4:3:	C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]C[5]O)(C[5,6]C[5]C[6])(C[5]O[5]HH)	C[5](C[5,6]C[5,6]2)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(C[5]O[5]O)	C[5,6](C[5,6]C[5,6]C[5]O)(C[5,6]C[5]C[6])(C[5]O[5]HH){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]2)(O[5]C[5])(H)2{1|O<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(C[5]O[5]O){1|O<2>,2|C<4>,4|H<1>}	109.5260	0.000	1	109.5260	0.000	1	109.5260	0.000	1	109.2320	0.137	7	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	4:3:4:	3:2:1:1:	3:4:3:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HH)	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(H)2	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(C[5]O[5]O)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HH){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(H)2{1|O<1>,4|C<4>}	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(C[5]O[5]O){3|C<4>,4|H<1>}	108.9790	0.000	1	109.0697	0.006	3	109.0392	0.025	5	109.2320	0.137	7	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	4:3:4:	3:2:1:1:	3:4:3:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HH)	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(H)2	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(C[5]O[5]O)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HH){1|O<1>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(H)2{1|O<1>,4|C<4>}	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(C[5]O[5]O){3|C<4>,4|H<1>}	109.1150	0.020	2	109.0697	0.006	3	109.0392	0.025	5	109.2320	0.137	7	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	4:3:4:	3:2:1:1:	3:4:3:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(H)2	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(C[5]O[5]O)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH){1|O<1>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(H)2{1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(C[5]O[5]O){2|C<4>,5|H<1>}	108.9935	0.281	2	108.9935	0.079	2	109.0392	0.025	5	109.2320	0.137	7	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	4:3:4:	3:2:1:1:	3:4:4:	C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)	C[5](C[5,6]C[5,6]2)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6a]C[6]H)(C[5]O[5]HH)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])(C[5]O[5]HH){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]2)(O[5]C[5])(H)2{3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6a]C[6]H)(C[5]O[5]HH){2|C<4>,3|C<3>,4|H<1>}	110.2160	0.000	1	110.2160	0.000	1	110.2160	0.000	1	110.3640	0.044	2	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	4:3:4:	3:2:1:1:	3:4:4:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(H)2	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6a]C[6]H)(C[5]O[5]HH)	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH){1|C<4>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6a]C[6]H)(C[5]O[5]HH){1|C<4>,4|C<3>,4|H<1>}	110.5120	0.000	1	110.5120	0.000	1	110.5120	0.000	1	110.3640	0.044	2	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	4:3:4:	3:2:1:1:	4:3:4:	C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[6]-4:C[5,6]-3:C[5]-4:	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](C[5,6]C[5,6]2)(O[5]C[5])(H)2	C[5,6](C[6]N[5a,6]C[6a]H)(C[5,6]C[5,6]C[5])(C[5]O[5]HH)	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>}	C[5](C[5,6]C[5,6]2)(O[5]C[5])(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6](C[6]N[5a,6]C[6a]H)(C[5,6]C[5,6]C[5])(C[5]O[5]HH){1|N<3>,2|H<1>,5|C<3>}	110.4615	0.364	2	110.4615	0.133	2	110.4615	0.133	2	110.1760	0.165	4	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	4:3:4:	3:2:1:1:	4:3:4:	C[6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6](C[6]N[5a,6]C[6a]H)(C[5,6]C[5,6]C[5])(C[5]O[5]HH)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	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[6]N[5a,6]C[6a]H)(C[5,6]C[5,6]C[5])(C[5]O[5]HH){1|N<3>,2|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	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>}	109.8905	0.189	2	109.8905	0.036	2	109.8905	0.036	2	110.1760	0.165	4	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	4:3:4:	3:2:2:1:	3:4:3:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:O[5]-2:O-2:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HO)	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(OC)(H)	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HO)(C[5]O[5]O)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HO){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(OC)(H){1|O<1>,4|C<4>}	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HO)(C[5]O[5]O){1|O<2>,3|C<4>,3|H<1>}	108.4960	0.000	1	108.4960	0.000	1	109.2337	0.429	3	109.2337	0.429	3	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	4:3:4:	3:2:2:1:	3:4:3:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:O[5]-2:O-2:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HO)	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(OH)(H)	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(C[5]O[5]O)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HO){1|O<1>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(OH)(H){1|O<1>,4|C<4>}	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(C[5]O[5]O){1|O<2>,3|C<4>,3|H<1>}	109.6025	0.204	2	109.6025	0.042	2	109.2337	0.429	3	109.2337	0.429	3	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	4:3:4:	3:3:1:1:	3:2:3:	C[6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5,6]-3:O[6]-2:C[5]-3:	C[5,6](C[6]C[4,5,6]C[6a]H)(C[5,6]C[5]O[6])(C[5]N[5]HH)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(H)2	C[5,6](C[5,6]C[5]C[6])(O[6]C[4,5,6])(C[5]N[5]O)	C[5,6](C[6]C[4,5,6]C[6a]H)(C[5,6]C[5]O[6])(C[5]N[5]HH){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6](C[5,6]C[5]C[6])(O[6]C[4,5,6])(C[5]N[5]O){2|C<3>,3|C<4>,3|H<1>}	108.6640	0.000	1	108.6640	0.000	1	108.7480	0.014	2	108.7480	0.014	2	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	4:3:4:	3:3:1:1:	3:2:3:	C[6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5,6]-3:O[6]-2:C[5]-3:	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5]O[6])(C[5]N[5]HH)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(H)2	C[5,6](C[5,6]C[5]C[6])(O[6]C[5,6])(C[5]N[5]O)	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5]O[6])(C[5]N[5]HH){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6](C[5,6]C[5]C[6])(O[6]C[5,6])(C[5]N[5]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	108.8320	0.000	1	108.8320	0.000	1	108.7480	0.014	2	108.7480	0.014	2	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	4:3:4:	3:3:1:1:	3:3:2:	C[6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6])	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH){1|C<2>,1|C<4>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6]){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	107.9180	0.000	1	108.2349	0.094	9	108.2349	0.094	9	108.2349	0.094	9	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	4:3:4:	3:3:1:1:	3:3:2:	C[6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6])	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6]){2|C<3>,2|C<4>,3|H<1>}	108.0370	0.000	1	108.2349	0.094	9	108.2349	0.094	9	108.2349	0.094	9	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	4:3:4:	3:3:1:1:	3:3:2:	C[6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6])	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6]){2|C<3>,2|C<4>,3|H<1>}	108.0225	0.015	2	108.2349	0.094	9	108.2349	0.094	9	108.2349	0.094	9	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	4:3:4:	3:3:1:1:	3:3:2:	C[6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6])	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	108.6175	0.237	2	108.2349	0.094	9	108.2349	0.094	9	108.2349	0.094	9	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	4:3:4:	3:3:1:1:	3:3:2:	C[6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6])	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	108.5120	0.000	1	108.2349	0.094	9	108.2349	0.094	9	108.2349	0.094	9	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	4:3:4:	3:3:1:1:	3:3:2:	C[6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6])	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH){1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	107.9670	0.000	1	108.2349	0.094	9	108.2349	0.094	9	108.2349	0.094	9	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	4:3:4:	3:3:1:1:	3:3:2:	C[6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6])	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	108.4000	0.000	1	108.2349	0.094	9	108.2349	0.094	9	108.2349	0.094	9	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	4:3:4:	3:3:2:1:	3:3:3:	C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:N[5]-3:O-2:H-1:	C[5a,6]-3:C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5a,6]C[5])(C[5]N[5]HO)	C[5](C[5,6]C[5,6]2)(N[5]C[5]C)(OH)(H)	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5])(C[5]N[5]O)	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5a,6]C[5])(C[5]N[5]HO){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6]2)(N[5]C[5]C)(OH)(H){1|O<1>,2|C<3>,2|C<4>}	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5])(C[5]N[5]O){1|H<1>,1|N<3>,1|O<2>,3|C<3>,3|C<4>}	110.2790	0.000	1	110.2790	0.000	1	110.2790	0.000	1	110.2790	0.000	1	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	4:3:4:	3:3:2:1:	4:3:3:	C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-3:O-2:I-1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]C[5]IO)	C[5](C[5,6]C[5,6]2)(C[5]C[5]O)(OC[5])(I)	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]C[5]N)	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]C[5]IO){1|N<2>,1|O<1>,1|O<2>,5|C<3>}	C[5](C[5,6]C[5,6]2)(C[5]C[5]O)(OC[5])(I){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]C[5]N){1|I<1>,1|O<1>,2|O<2>,5|C<3>}	111.8380	0.000	1	111.8380	0.000	1	111.8380	0.000	1	111.8380	0.000	1	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	4:3:4:	3:3:3:1:	3:3:3:	C[5]-4:C[5,6]-3:C[6]-4:	C[5,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-3:N[6]-3:	C[5,6](C[5]C[5,6a]C[6a]H)(C[5,6]C[5,6a]N[6])(C[6]C[6]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6]S)	C[5,6](C[5]C[5,6a]C[6a]H)(C[5,6]C[5,6a]N[6])(C[6]C[6]HH){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H){1|Br<1>,1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6]S){1|C<4>,3|C<3>,6|H<1>}	110.3080	0.000	1	110.4287	0.105	3	110.4287	0.105	3	110.4287	0.105	3	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	4:3:4:	3:3:3:1:	3:3:3:	C[5]-4:C[5,6]-3:C[6]-4:	C[5,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-3:N[6]-3:	C[5,6](C[5]C[5,6a]C[6a]H)(C[5,6]C[5,6a]N[6])(C[6]C[6]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6]S)	C[5,6](C[5]C[5,6a]C[6a]H)(C[5,6]C[5,6a]N[6])(C[6]C[6]HH){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6]S){1|C<4>,3|C<3>,6|H<1>}	110.4890	0.434	2	110.4287	0.105	3	110.4287	0.105	3	110.4287	0.105	3	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	4:3:4:	3:3:3:1:	3:3:4:	C[5]-4:C[5,6]-3:C[6]-4:	N[5,6a]-3:C[5,6]-3:C[6a]-3:H-1:	N[5,6a]-3:C[5,6]-3:C[6]-4:	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)	C[5,6](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)	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>}	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>}	C[5,6](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	111.6900	0.000	1	111.6900	0.000	1	111.6900	0.000	1	111.6900	0.000	1	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	4:3:4:	3:3:3:2:	3:4:3:	C[5]-4:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6a]-3:C[5]-3:O-2:	C[5,6]-3:C[6]-4:N[5]-3:	C[5,6](C[5]C[6a]C[5]O)(C[5,6]C[6]N[5])(C[6]C[6]HH)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]O)(OH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]C)	C[5,6](C[5]C[6a]C[5]O)(C[5,6]C[6]N[5])(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]O)(OH){2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	109.4350	0.000	1	109.4350	0.000	1	109.4350	0.000	1	109.4350	0.000	1	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	4:3:4:	3:3:4:1:	3:3:2:	C[5]-4:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5]O[6])(C[6]C[6]HH)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O)(O[6]C[6])	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5]O[6])(C[6]C[6]HH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,3|O<2>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O)(O[6]C[6]){1|C<4>,2|C<3>,6|H<1>}	111.9220	0.652	3	111.9492	0.216	5	111.9492	0.216	5	111.9492	0.216	5	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	4:3:4:	3:3:4:1:	3:3:2:	C[5]-4:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5]O[6])(C[6]C[6]HH)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O)(O[6]C[6])	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5]O[6])(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O)(O[6]C[6]){1|C<3>,2|C<4>,6|H<1>}	111.9900	0.078	2	111.9492	0.216	5	111.9492	0.216	5	111.9492	0.216	5	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	4:3:4:	3:4:1:1:	3:3:2:	C[6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]C[5]HH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]N)(O[6]C[6])	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]C[5]HH){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]N)(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	110.3710	0.000	1	110.3710	0.000	1	110.3710	0.000	1	110.3710	0.000	1	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	4:3:4:	3:4:1:1:	3:3:3:	C[4,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6](C[4,6]C[4,5]C[4,6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)	C[5](C[5,6]C[4,6]C[5,6])(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[4,6]C[5])(C[5]C[5]O)(C[6]C[6]H)	C[5,6](C[4,6]C[4,5]C[4,6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[5](C[5,6]C[4,6]C[5,6])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[4,6]C[5])(C[5]C[5]O)(C[6]C[6]H){2|C<4>,6|H<1>}	113.5270	0.000	1	113.5270	0.000	1	113.5270	0.000	1	113.5270	0.000	1	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	4:3:4:	3:4:1:1:	3:3:4:	C[3,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-3:C[5,5]-4:	C[5,6](C[3,6]C[6,6a]C[3]2)(C[5,6]C[5,5]C[6])(C[5]C[5]HH)	C[5](C[5,6]C[3,6]C[5,6])(C[5]C[5,5]HH)(H)2	C[5,6](C[5,6]C[3,6]C[5])(C[6]C[6,6a]O)(C[5,5]C[5]3)	C[5,6](C[3,6]C[6,6a]C[3]2)(C[5,6]C[5,5]C[6])(C[5]C[5]HH){1|O<1>,4|C<3>,6|H<1>}	C[5](C[5,6]C[3,6]C[5,6])(C[5]C[5,5]HH)(H)2{2|C<4>,4|C<3>}	C[5,6](C[5,6]C[3,6]C[5])(C[6]C[6,6a]O)(C[5,5]C[5]3){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	111.3320	0.000	1	111.3320	0.000	1	111.3320	0.000	1	112.2030	1.517	2	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	4:3:4:	3:4:1:1:	3:3:4:	C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-4:F-1:F-1:	C[5a,6]-3:C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5a,6]C[5])(C[5]C[5]FF)	C[5](C[5,6]C[5,6]2)(C[5]C[5]FF)(F)2	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5])(C[5]C[5]FF)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5a,6]C[5])(C[5]C[5]FF){1|C<4>,1|H<1>,1|S<4>,3|C<3>,4|F<1>}	C[5](C[5,6]C[5,6]2)(C[5]C[5]FF)(F)2{1|C<4>,1|H<1>,2|C<3>,2|F<1>}	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5])(C[5]C[5]FF){1|H<1>,1|S<2>,2|C<3>,2|C<4>,4|F<1>}	113.0740	0.000	1	113.0740	0.000	1	113.0740	0.000	1	112.2030	1.517	2	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	4:3:4:	3:4:1:1:	3:4:3:	C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]C[6])(C[5]C[5]HH)	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]HH)(C[6]C[6]O)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]C[6])(C[5]C[5]HH){1|C<4>,1|N<3>,2|O<1>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(H)2{2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]HH)(C[6]C[6]O){1|O<2>,3|C<3>,4|H<1>}	111.3000	0.000	1	111.3000	0.000	1	111.3000	0.000	1	110.9725	0.215	2	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	4:3:4:	3:4:1:1:	3:4:3:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]2H)(H)2	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]O)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HH){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]2H)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,3|C<4>,5|H<1>}	110.6450	0.000	1	110.6450	0.000	1	110.6450	0.000	1	110.9725	0.215	2	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	4:3:4:	3:4:1:1:	3:4:4:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CC)(C[6]C[6]HH)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH){1|C<3>,4|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)2{1|H<1>,5|C<4>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CC)(C[6]C[6]HH){2|C<4>,7|H<1>}	111.2845	0.286	2	111.2845	0.082	2	111.2845	0.082	2	111.2845	0.082	2	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	4:3:4:	3:4:3:1:	3:3:2:	C[5]-4:C[5,6]-3:C[6]-4:	C[5,6]-3:C[5]-4:C[6a]-3:H-1:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5]O[6])(C[6]C[6]HH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]BrC)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O)(O[6]C[6])	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5]O[6])(C[6]C[6]HH){1|Br<1>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]BrC)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O)(O[6]C[6]){1|Br<1>,1|C<3>,2|C<4>,5|H<1>}	112.4940	0.000	1	112.4940	0.000	1	112.4940	0.000	1	112.4940	0.000	1	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	4:3:4:	4:3:2:1:	3:4:3:	C[5]-4:C[5,6]-3:C[6]-4:	C[5,5,6]-4:C[5,6]-3:O[5]-2:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5]C[5,5,6]O[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)	C[5](C[5,5,6]C[5,6]2O[5,5])(C[5,6]C[5,6]C[6])(O[5]C[5])(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)	C[5,6](C[5]C[5,5,6]O[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,5,6]C[5,6]2O[5,5])(C[5,6]C[5,6]C[6])(O[5]C[5])(H){1|O<1>,2|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O){2|C<4>,5|H<1>}	107.5780	0.000	1	107.5780	0.000	1	107.5780	0.000	1	107.5780	0.000	1	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	4:3:4:	4:3:3:2:	4:3:4:	C[5]-4:C[5,6]-3:C[6]-4:	C[5,5]-4:C[5,6]-3:C[6a]-3:O-2:	C[5,5]-4:C[5,6]-3:C[6]-4:	C[5,6](C[5]C[5,5]C[6a]O)(C[5,6]C[5,5]C[6])(C[6]C[6]HH)	C[5](C[5,5]C[5,5]C[5]Fe)(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(OH)	C[5,6](C[5,5]C[5,5]C[5]Fe)(C[5,6]C[5]C[6])(C[6]C[6]HH)	C[5,6](C[5]C[5,5]C[6a]O)(C[5,6]C[5,5]C[6])(C[6]C[6]HH){1|Fe<10>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]Fe)(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(OH){2|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,5]C[5,5]C[5]Fe)(C[5,6]C[5]C[6])(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	112.9695	0.074	2	112.9695	0.006	2	112.9695	0.006	2	112.9695	0.006	2	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5,6]	C[5]	C[5,6]	4:4:3:	3:3:2:1:	3:4:3:	C[3,5,6,6]-4:C[5]-4:C[5,6]-3:	C[5,6]-3:C[5a]-3:O[5]-2:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[5,6])(C[5]C[5a]O[5]H)(C[5,6]C[5]C[6])	C[5](C[5,6]C[3,5,6,6]C[5,6])(C[5a]C[5a]2)(O[5]C[5])(H)	C[5,6](C[5,6]C[3,5,6,6]C[5])(C[5]O[5]HH)(C[6]C[6]H)	C[5,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[5,6])(C[5]C[5a]O[5]H)(C[5,6]C[5]C[6]){1|C<2>,2|C<4>,4|C<3>,5|H<1>}	C[5](C[5,6]C[3,5,6,6]C[5,6])(C[5a]C[5a]2)(O[5]C[5])(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[3,5,6,6]C[5])(C[5]O[5]HH)(C[6]C[6]H){1|C<3>,2|H<1>,3|C<4>}	111.1690	0.072	2	111.1690	0.005	2	111.1690	0.005	2	111.1690	0.005	2	110.6222	5.095	373	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[3x5,6,6]	C[5]	4:3:1:	4:4:4:3:	3:3:4:	C[3x5,6,6]-4:C[5]-3:O-1:	C[3x5,6,6]-4:C[5,3x6]-4:C[5,5]-4:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[3x5,6,6]C[3x5,6,6]C[5,3x6]C[5,5])(C[5]C[5]C)(O)	C[3x5,6,6](C[3x5,6,6]C[5,3x6]C[5,5]C[5])(C[5,3x6]C[5,6,6]C[6,6]O)(C[5,5]O[5]2C)(C[5]C[5]O)	C[5](C[5]C[3x5,6,6]O)2(CH3)	C[5](C[3x5,6,6]C[3x5,6,6]C[5,3x6]C[5,5])(C[5]C[5]C)(O){1|C<3>,4|C<4>,4|O<2>}	C[3x5,6,6](C[3x5,6,6]C[5,3x6]C[5,5]C[5])(C[5,3x6]C[5,6,6]C[6,6]O)(C[5,5]O[5]2C)(C[5]C[5]O){1|C<3>,1|H<1>,2|O<2>,5|C<4>}	C[5](C[5]C[3x5,6,6]O)2(CH3){4|C<4>}	110.3670	0.000	1	110.3670	0.000	1	110.3670	0.000	1	110.3670	0.000	1	112.1265	6.192	2	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[3x5,6,6]	C[5]	4:3:2:	4:4:4:3:	3:3:4:	C[3x5,6,6]-4:C[5]-3:O-2:	C[3x5,6,6]-4:C[5,3x6]-4:C[5,5]-4:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[3x5,6,6]C[3x5,6,6]C[5,3x6]C[5,5])(C[5]C[5]C)(OC)	C[3x5,6,6](C[3x5,6,6]C[5,3x6]C[5,5]C[5])(C[5,3x6]C[5,6,6]C[6,6]H)(C[5,5]O[5]2C)(C[5]C[5]O)	C[5](C[5]C[3x5,6,6]O)2(CH3)	C[5](C[3x5,6,6]C[3x5,6,6]C[5,3x6]C[5,5])(C[5]C[5]C)(OC){1|C<3>,1|H<1>,1|O<1>,2|O<2>,4|C<4>}	C[3x5,6,6](C[3x5,6,6]C[5,3x6]C[5,5]C[5])(C[5,3x6]C[5,6,6]C[6,6]H)(C[5,5]O[5]2C)(C[5]C[5]O){1|C<3>,1|O<1>,3|C<4>,4|O<2>}	C[5](C[5]C[3x5,6,6]O)2(CH3){4|C<4>}	113.8860	0.000	1	113.8860	0.000	1	113.8860	0.000	1	113.8860	0.000	1	112.1265	6.192	2	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[3x5,6]	C[5]	4:3:3:	4:4:2:3:	3:2:1:	C[3x5,6]-4:C[5]-3:C-3:	C[5,5,6]-4:C[5,5]-4:O[5,6]-2:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[3x5,6]C[5,5,6]C[5,5]O[5,6])(C[5]O[5]O)(CCO)	C[3x5,6](C[5,5,6]C[5]C[6]O[5])(C[5,5]C[5]2C)(O[5,6]C[5,6])(C[5]C[5]C)	C[5](C[5]C[3x5,6]C)(O[5]C[5,5,6])(O)	C[5](C[3x5,6]C[5,5,6]C[5,5]O[5,6])(C[5]O[5]O)(CCO){3|C<3>,3|C<4>}	C[3x5,6](C[5,5,6]C[5]C[6]O[5])(C[5,5]C[5]2C)(O[5,6]C[5,6])(C[5]C[5]C){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5](C[5]C[3x5,6]C)(O[5]C[5,5,6])(O){1|C<3>,1|O<2>,2|C<4>}	108.3470	0.372	2	108.3470	0.138	2	108.3470	0.138	2	108.3470	0.138	2	108.3470	0.138	2	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[3x5]	C[5]	4:3:1:	4:4:3:3:	3:2:1:	C[3x5]-4:C[5]-3:O-1:	C[3x5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[3x5]C[3x5]C[5]2)(C[5]O[5]O)(O)	C[3x5](C[3x5]C[5]2O[5])(C[5]C[5]CH)(C[5]C[5]H)(C[5]C[5]O)	C[5](C[5]C[3x5]O)(O[5]C[3x5])(O)	C[5](C[3x5]C[3x5]C[5]2)(C[5]O[5]O)(O){1|C<3>,2|H<1>,4|C<4>}	C[3x5](C[3x5]C[5]2O[5])(C[5]C[5]CH)(C[5]C[5]H)(C[5]C[5]O){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[5]C[3x5]O)(O[5]C[3x5])(O){1|C<3>,3|C<4>}	107.1670	0.000	1	107.1670	0.000	1	107.1670	0.000	1	107.1670	0.000	1	109.6531	3.251	13	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[3x5]	C[5]	4:3:1:	4:4:3:3:	4:3:3:	C[3x5]-4:C[5]-3:H-1:	C[3x5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[5]C)(H)	C[3x5](C[3x5]C[5]2O[5])(C[5]C[5]CH)(C[5]C[5]H)(C[5]C[5]O)	C[5](C[5]C[3x5]CC)(C[5]C[3x5]H)(CCO)	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[5]C)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,5|C<4>}	C[3x5](C[3x5]C[5]2O[5])(C[5]C[5]CH)(C[5]C[5]H)(C[5]C[5]O){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[5]C[3x5]CC)(C[5]C[3x5]H)(CCO){1|C<3>,1|O<2>,2|C<4>}	112.5150	0.000	1	112.5150	0.000	1	112.5150	0.000	1	112.5150	0.000	1	109.6531	3.251	13	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[3x5]	C[5]	4:3:1:	4:4:4:3:	4:3:3:	C[3x5]-4:C[5]-3:H-1:	C[3x5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[6a]C[5])(H)	C[3x5](C[3x5]C[5]3)(C[5]C[5]HO)(C[5]O[5]HH)(C[5]C[5]H)	C[5](C[5]C[3x5]HH)(C[5]C[3x5]H)(C[6a]C[6a]2)	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[6a]C[5])(H){2|C<4>,2|O<2>,3|C<3>,5|H<1>}	C[3x5](C[3x5]C[5]3)(C[5]C[5]HO)(C[5]O[5]HH)(C[5]C[5]H){1|C<3>,1|O<1>,6|H<1>}	C[5](C[5]C[3x5]HH)(C[5]C[3x5]H)(C[6a]C[6a]2){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	112.2070	0.000	1	112.2070	0.000	1	112.2070	0.000	1	112.2070	0.000	1	109.6531	3.251	13	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[3x5]	C[5]	4:3:2:	4:3:3:3:	3:2:3:	C[3x5]-4:C[5]-3:C-2:	C[3x5]-4:C[5]-3:C[5]-3:C[5]-3:	C[5]-3:O[5]-2:N-3:	C[5](C[3x5]C[3x5]C[5]2)(C[5]O[5]N)(CN)	C[3x5](C[3x5]C[5,6a]N[5]O[5])(C[5]C[5,6a]O)(C[5]C[5]C)2	C[5](C[5]C[3x5]C)(O[5]C[3x5])(NHH)	C[5](C[3x5]C[3x5]C[5]2)(C[5]O[5]N)(CN){1|N<3>,1|O<1>,4|C<3>}	C[3x5](C[3x5]C[5,6a]N[5]O[5])(C[5]C[5,6a]O)(C[5]C[5]C)2{1|C<4>,1|N<3>,3|C<3>}	C[5](C[5]C[3x5]C)(O[5]C[3x5])(NHH){1|N<3>,3|C<3>}	109.2705	0.129	2	109.2705	0.017	2	109.2705	0.017	2	109.2705	0.017	2	109.6531	3.251	13	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[3x5]	C[5]	4:3:3:	4:3:3:2:	4:3:1:	C[3x5]-4:C[5]-3:C[6a]-3:	C[3x5]-4:C[5]-3:N[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:H-1:	C[5](C[3x5]C[3x5]N[5]O[5])(C[5]C[5,5]H)(C[6a]C[6a]2)	C[3x5](C[3x5]C[5,6a]C[5,5]C[5])(C[5]C[6a]C[5])(N[5]C[5,6a]C)(O[5]C[5])	C[5](C[5,5]C[5,6a]2C[3x5])(C[5]C[3x5]C[6a])(H)	C[5](C[3x5]C[3x5]N[5]O[5])(C[5]C[5,5]H)(C[6a]C[6a]2){2|H<1>,3|C<4>,6|C<3>}	C[3x5](C[3x5]C[5,6a]C[5,5]C[5])(C[5]C[6a]C[5])(N[5]C[5,6a]C)(O[5]C[5]){5|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]2C[3x5])(C[5]C[3x5]C[6a])(H){1|C<4>,1|N<3>,1|O<2>,7|C<3>}	110.1000	0.000	1	110.1000	0.000	1	110.1000	0.000	1	110.1000	0.000	1	109.6531	3.251	13	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[3x5]	C[5]	4:3:3:	4:3:3:3:	3:3:3:	C[3x5]-4:C[5]-3:C-3:	C[3x5]-4:C[5]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:C-3:	C[5](C[3x5]C[3x5]C[5]2)(C[5]N[5]C)(COO)	C[3x5](C[3x5]C[5,6a]N[5]O[5])(C[5]C[5,6a]O)(C[5]C[5]C)2	C[5](C[5]C[3x5]C)(N[5]C[3x5]C)(COO)	C[5](C[3x5]C[3x5]C[5]2)(C[5]N[5]C)(COO){1|C<2>,1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[3x5](C[3x5]C[5,6a]N[5]O[5])(C[5]C[5,6a]O)(C[5]C[5]C)2{1|C<4>,1|N<3>,3|C<3>}	C[5](C[5]C[3x5]C)(N[5]C[3x5]C)(COO){1|O<2>,3|C<3>}	108.0590	0.000	1	108.0590	0.000	1	108.0590	0.000	1	108.0590	0.000	1	109.6531	3.251	13	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[3x5]	C[5]	4:3:3:	4:3:3:3:	3:3:4:	C[3x5]-4:C[5]-3:C-3:	C[3x5]-4:C[5]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:C-4:	C[5](C[3x5]C[3x5]C[5]2)(C[5]N[5]C)(COO)	C[3x5](C[3x5]C[5,6a]N[5]O[5])(C[5]C[5,6a]O)(C[5]C[5]C)2	C[5](C[5]C[3x5]C)(N[5]C[3x5]C)(CH3)	C[5](C[3x5]C[3x5]C[5]2)(C[5]N[5]C)(COO){1|C<2>,1|O<1>,1|O<2>,4|C<3>}	C[3x5](C[3x5]C[5,6a]N[5]O[5])(C[5]C[5,6a]O)(C[5]C[5]C)2{1|C<4>,1|N<3>,3|C<3>}	C[5](C[5]C[3x5]C)(N[5]C[3x5]C)(CH3){1|O<2>,3|C<3>}	108.9180	0.000	1	108.9180	0.000	1	108.9180	0.000	1	108.9180	0.000	1	109.6531	3.251	13	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[3x5]	C[5]	4:3:3:	4:3:3:3:	3:4:4:	C[3x5]-4:C[6a]-3:C[5]-3:	C[3x5]-4:C[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:C-4:	C[5](C[3x5]C[3x5]N[5]2)(C[6a]C[6a]2)(C[5]C[5]C)	C[3x5](C[3x5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(N[5]C[5,6a]H)(N[5]C[5]S)	C[5](C[5]C[3x5]C[6a])(C[5]C[3x5]HH)(CCCH)	C[5](C[3x5]C[3x5]N[5]2)(C[6a]C[6a]2)(C[5]C[5]C){1|S<4>,2|C<4>,4|C<3>,5|H<1>}	C[3x5](C[3x5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(N[5]C[5,6a]H)(N[5]C[5]S){1|C<4>,4|C<3>,6|H<1>}	C[5](C[5]C[3x5]C[6a])(C[5]C[3x5]HH)(CCCH){1|C<4>,2|N<3>,3|C<3>}	110.8340	0.000	1	110.8340	0.000	1	110.8340	0.000	1	110.8340	0.000	1	109.6531	3.251	13	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[3x5]	C[5]	4:3:3:	4:3:4:2:	3:3:3:	C[3x5]-4:C[5]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[5,5]-4:O[5]-2:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[3x5]C[5,5]2O[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[3x5](C[5,5]C[5]O[5]H)(C[5]C[6a]C[5])(C[5,5]C[5]2H)(O[5]C[5])	C[5](C[5]C[3x5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2)	C[5](C[3x5]C[5,5]2O[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|O<1>,1|O<2>,4|H<1>,6|C<3>}	C[3x5](C[5,5]C[5]O[5]H)(C[5]C[6a]C[5])(C[5,5]C[5]2H)(O[5]C[5]){1|C<4>,1|O<1>,6|C<3>}	C[5](C[5]C[3x5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	110.7680	0.000	1	110.7680	0.000	1	110.7680	0.000	1	110.7680	0.000	1	109.6531	3.251	13	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[3x5]	C[5]	4:3:4:	4:3:3:2:	4:3:1:	C[3x5]-4:C[5]-3:Si-4:	C[3x5]-4:C[5]-3:N[5]-3:O[5]-2:	C[5]-4:C[5]-3:H-1:	C[5](C[3x5]C[3x5]N[5]O[5])(C[5]C[5]H)(SiC3)	C[3x5](C[3x5]C[5]2O[5])(C[5]C[5]Si)(N[5]C[5]H)(O[5]C[5])	C[5](C[5]C[3x5]HH)(C[5]C[3x5]Si)(H)	C[5](C[3x5]C[3x5]N[5]O[5])(C[5]C[5]H)(SiC3){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[3x5](C[3x5]C[5]2O[5])(C[5]C[5]Si)(N[5]C[5]H)(O[5]C[5]){1|O<1>,7|H<1>}	C[5](C[5]C[3x5]HH)(C[5]C[3x5]Si)(H){1|C<4>,1|N<3>,2|O<2>}	107.5240	0.089	2	107.5240	0.008	2	107.5240	0.008	2	107.5240	0.008	2	109.6531	3.251	13	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[3x5]	C[5]	4:3:4:	4:4:3:2:	4:3:3:	C[3x5]-4:C[5]-3:C-4:	C[5,6,6]-4:C[3x5]-4:C[5]-3:O[5]-2:	C[5]-4:C[5]-3:C-3:	C[5](C[3x5]C[5,6,6]C[3x5]O[5])(C[5]C[5]C)(CH3)	C[3x5](C[5,6,6]C[5,6,6]C[6]O[6])(C[3x5]C[5,6]C[5]O[5])(C[5]C[5]C)(O[5]B[5])	C[5](C[5]C[3x5]HO)(C[5]C[3x5]C)(CCC)	C[5](C[3x5]C[5,6,6]C[3x5]O[5])(C[5]C[5]C)(CH3){1|B<3>,1|H<1>,3|C<4>,3|O<2>}	C[3x5](C[5,6,6]C[5,6,6]C[6]O[6])(C[3x5]C[5,6]C[5]O[5])(C[5]C[5]C)(O[5]B[5]){2|C<3>,2|H<1>,3|O<2>,5|C<4>}	C[5](C[5]C[3x5]HO)(C[5]C[3x5]C)(CCC){2|C<4>,2|O<2>}	111.3330	0.000	1	111.3330	0.000	1	111.3330	0.000	1	111.3330	0.000	1	109.6531	3.251	13	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,3x6]	C[5]	4:3:1:	4:4:3:3:	3:2:1:	C[5,3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:C[5]-3:	C[5]-3:S[5]-2:H-1:	C[5](C[5,3x6]C[5,6,6]3)(C[5]S[5]H)(H)	C[5,3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[5,6,6]C[6,6]S[5])(C[5]C[5]H)	C[5](C[5]C[5,3x6]H)(S[5]C[5,6,6])(H)	C[5](C[5,3x6]C[5,6,6]3)(C[5]S[5]H)(H){2|C<4>,2|H<1>,3|C<3>}	C[5,3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[5,6,6]C[6,6]S[5])(C[5]C[5]H){1|C<4>,2|N<3>,2|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[5,3x6]H)(S[5]C[5,6,6])(H){1|C<3>,2|C<4>}	115.0780	0.000	1	115.0780	0.000	1	115.0780	0.000	1	115.0780	0.000	1	108.6403	6.542	12	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,3x6]	C[5]	4:3:1:	4:4:4:3:	4:3:1:	C[5,3x6]-4:C[5]-3:O-1:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-3:	C[5,6]-4:C[5]-3:O-1:	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]O)(O)	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,3x6]O)(O)	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]O)(O){3|H<1>,3|O<2>,4|C<4>}	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,3x6]O)(O){1|O<2>,3|C<4>,3|H<1>}	106.8460	0.000	1	106.8460	0.000	1	106.8460	0.000	1	106.8460	0.000	1	108.6403	6.542	12	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,3x6]	C[5]	4:3:1:	4:4:4:3:	4:3:3:	C[5,3x6]-4:C[5]-3:O-1:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-3:	C[5,6]-4:C[5]-3:C-3:	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(O)	C[5,3x6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,3x6]O)(CHH)	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(O){2|O<2>,4|C<4>,4|H<1>}	C[5,3x6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O){1|C<3>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,3x6]O)(CHH){1|O<2>,3|C<4>,3|H<1>}	107.2450	0.000	1	107.2450	0.000	1	106.9652	0.233	6	106.9652	0.233	6	108.6403	6.542	12	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,3x6]	C[5]	4:3:1:	4:4:4:3:	4:3:3:	C[5,3x6]-4:C[5]-3:O-1:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-3:	C[5,6]-4:C[5]-3:C-3:	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(O)	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,3x6]O)(CHH)	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(O){2|O<2>,4|C<4>,4|H<1>}	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,3x6]O)(CHH){3|C<4>,4|H<1>}	106.8730	0.000	1	106.8730	0.000	1	106.9652	0.233	6	106.9652	0.233	6	108.6403	6.542	12	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,3x6]	C[5]	4:3:1:	4:4:4:3:	4:3:3:	C[5,3x6]-4:C[5]-3:O-1:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-3:	C[5,6]-4:C[5]-3:C-3:	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(O)	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,3x6]O)(CHH)	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(O){3|H<1>,3|O<2>,4|C<4>}	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,3x6]O)(CHH){1|O<2>,3|C<4>,3|H<1>}	107.1780	0.888	2	106.9183	0.356	4	106.9652	0.233	6	106.9652	0.233	6	108.6403	6.542	12	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,3x6]	C[5]	4:3:1:	4:4:4:3:	4:3:3:	C[5,3x6]-4:C[5]-3:O-1:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-3:	C[5,6]-4:C[5]-3:C-3:	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(O)	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,3x6]O)(CHH)	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(O){3|H<1>,3|O<2>,4|C<4>}	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,3x6]O)(CHH){1|O<2>,3|C<4>,3|H<1>}	106.6585	0.104	2	106.9183	0.356	4	106.9652	0.233	6	106.9652	0.233	6	108.6403	6.542	12	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,3x6]	C[5]	4:3:4:	4:4:3:3:	3:3:1:	C[5,3x6]-4:C[5]-3:C-4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]H)(CCHH)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(C[5]C[5]C)	C[5](C[5]C[5,3x6]C)(C[5]C[5,6,6]O)(H)	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]H)(CCHH){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(C[5]C[5]C){1|C<4>,2|O<1>,4|H<1>}	C[5](C[5]C[5,3x6]C)(C[5]C[5,6,6]O)(H){1|C<3>,1|H<1>,2|C<4>}	111.0090	0.000	1	111.0090	0.000	1	110.6475	0.261	2	110.6475	0.261	2	108.6403	6.542	12	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,3x6]	C[5]	4:3:4:	4:4:3:3:	3:3:1:	C[5,3x6]-4:C[5]-3:C-4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]H)(CH3)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(C[5]C[5]C)	C[5](C[5]C[5,3x6]C)(C[5]C[5,6,6]O)(H)	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]H)(CH3){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(C[5]C[5]C){1|C<4>,2|O<1>,4|H<1>}	C[5](C[5]C[5,3x6]C)(C[5]C[5,6,6]O)(H){1|C<3>,1|H<1>,2|C<4>}	110.2860	0.000	1	110.2860	0.000	1	110.6475	0.261	2	110.6475	0.261	2	108.6403	6.542	12	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,3x6]	C[5]	4:3:4:	4:4:4:3:	4:3:1:	C[5,3x6]-4:C[5]-3:C-4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]H)(CH3)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(C[5]C[5]C)	C[5](C[5]C[5,6,6]HH)(C[5]C[5,3x6]C)(H)	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]H)(CH3){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[5](C[5]C[5,6,6]HH)(C[5]C[5,3x6]C)(H){1|H<1>,3|C<4>}	109.3370	0.103	2	109.3370	0.011	2	109.3370	0.011	2	109.3370	0.011	2	108.6403	6.542	12	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,4x6]	C[5]	4:3:1:	4:4:4:3:	4:3:3:	C[5,4x6]-4:C[5]-3:O-1:	C[4x6]-4:C[5,6,6]-4:C[3x6]-4:C[5]-3:	C[5,6]-4:C[5]-3:C-3:	C[5](C[5,4x6]C[5,6,6]C[3x6]C[4x6])(C[5]C[5,6]C)(O)	C[5,4x6](C[4x6]C[6,6]O[6,6]O[6])(C[5,6,6]C[5,6]O[6]H)(C[3x6]C[4x6]C[6]H)(C[5]C[5]O)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,4x6]O)(CHH)	C[5](C[5,4x6]C[5,6,6]C[3x6]C[4x6])(C[5]C[5,6]C)(O){3|H<1>,3|O<2>,4|C<4>}	C[5,4x6](C[4x6]C[6,6]O[6,6]O[6])(C[5,6,6]C[5,6]O[6]H)(C[3x6]C[4x6]C[6]H)(C[5]C[5]O){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,4x6]O)(CHH){1|O<2>,3|C<4>,3|H<1>}	106.7330	0.160	2	106.7330	0.026	2	106.7330	0.026	2	106.7330	0.026	2	106.7330	0.026	2	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6,6]	C[5]	4:3:3:	3:3:4:3:	3:2:3:	C[5,5,6,6]-4:C[5]-3:C-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:C[5]-3:	C[5]-3:O[5]-2:C[6a]-3:	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[5]C[6a]O[5])(COO)	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,5,6,6]C[5,6,6a]2O[5])(C[5]C[5]C)	C[5](C[5]C[5,5,6,6]C)(O[5]C[5,5,6,6])(C[6a]C[6a]2)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[5]C[6a]O[5])(COO){8|C<3>}	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,5,6,6]C[5,6,6a]2O[5])(C[5]C[5]C){9|C<3>}	C[5](C[5]C[5,5,6,6]C)(O[5]C[5,5,6,6])(C[6a]C[6a]2){2|H<1>,6|C<3>}	110.6540	0.000	1	110.6540	0.000	1	110.6540	0.000	1	110.6540	0.000	1	109.4094	10.524	8	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6,6]	C[5]	4:3:3:	4:2:4:3:	3:2:1:	C[5,5,6,6]-4:C[5]-3:C-3:	C[5,5,3x6]-4:O[6,6]-2:C[5]-4:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5,5,6,6]C[5,5,3x6]O[6,6]C[5])(C[5]O[5]O)(CCO)	C[5,5,6,6](C[5,5,3x6]C[5,6,6]C[6,6]O[5])(O[6,6]C[3x6])(C[5]C[5]CH)(C[5]C[5]C)	C[5](C[5]C[5,5,6,6]C)(O[5]C[5,5,3x6])(O)	C[5](C[5,5,6,6]C[5,5,3x6]O[6,6]C[5])(C[5]O[5]O)(CCO){1|C<3>,1|H<1>,4|C<4>}	C[5,5,6,6](C[5,5,3x6]C[5,6,6]C[6,6]O[5])(O[6,6]C[3x6])(C[5]C[5]CH)(C[5]C[5]C){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5](C[5]C[5,5,6,6]C)(O[5]C[5,5,3x6])(O){1|O<2>,3|C<4>}	105.8250	0.252	2	105.8193	0.032	3	105.8193	0.032	3	105.8193	0.032	3	109.4094	10.524	8	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6,6]	C[5]	4:3:3:	4:2:4:3:	3:2:1:	C[5,5,6,6]-4:C[5]-3:C-3:	C[5,5,3x6]-4:O[6,6]-2:C[5]-4:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5,5,6,6]C[5,5,3x6]O[6,6]C[5])(C[5]O[5]O)(CCO)	C[5,5,6,6](C[5,5,3x6]C[5,6,6]C[6,6]O[5])(O[6,6]C[3x6])(C[5]C[5]CH)(C[5]C[5]C)	C[5](C[5]C[5,5,6,6]C)(O[5]C[5,5,3x6])(O)	C[5](C[5,5,6,6]C[5,5,3x6]O[6,6]C[5])(C[5]O[5]O)(CCO){1|C<3>,1|H<1>,4|C<4>}	C[5,5,6,6](C[5,5,3x6]C[5,6,6]C[6,6]O[5])(O[6,6]C[3x6])(C[5]C[5]CH)(C[5]C[5]C){1|O<1>,1|S<2>,3|C<4>,4|H<1>}	C[5](C[5]C[5,5,6,6]C)(O[5]C[5,5,3x6])(O){1|O<2>,3|C<4>}	105.8080	0.000	1	105.8193	0.032	3	105.8193	0.032	3	105.8193	0.032	3	109.4094	10.524	8	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6,6]	C[5]	4:3:4:	4:3:3:3:	3:3:1:	C[5,5,6,6]-4:C[5]-3:C-4:	C[5,3x6]-4:C[6,6]-3:N[5,5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5,6,6]C[5,3x6]C[6,6]N[5,5])(C[5]C[5]H)(CH3)	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(N[5,5]C[5]2)(C[5]C[5]C)	C[5](C[5]C[5,5,6,6]C)(C[5]N[5,5]O)(H)	C[5](C[5,5,6,6]C[5,3x6]C[6,6]N[5,5])(C[5]C[5]H)(CH3){1|C<3>,1|H<1>,2|O<1>,3|C<4>}	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(N[5,5]C[5]2)(C[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5](C[5]C[5,5,6,6]C)(C[5]N[5,5]O)(H){1|C<3>,2|C<4>}	109.1820	0.000	1	109.1820	0.000	1	109.1820	0.000	1	109.1820	0.000	1	109.4094	10.524	8	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6,6]	C[5]	4:3:4:	4:4:3:4:	4:3:4:	C[5,5,6,6]-4:C[5]-3:C-4:	C[4,5,5,6,6]-4:C[3x5,6,6]-4:C[5]-3:C-4:	C[4,5,6]-4:C[5]-3:C-4:	C[5](C[5,5,6,6]C[4,5,5,6,6]C[3x5,6,6]C)(C[5]C[4,5,6]C)(CH3)	C[5,5,6,6](C[4,5,5,6,6]P[4,5,5,6,6]C[4,5,6]C)(C[3x5,6,6]C[5,5,3x6]C[3x5,6]C)(C[5]C[5]C)(CH3)	C[5](C[4,5,6]C[4,5,5,6,6]P[4,5,3x6]C)(C[5]C[5,5,6,6]C)(CH3)	C[5](C[5,5,6,6]C[4,5,5,6,6]C[3x5,6,6]C)(C[5]C[4,5,6]C)(CH3){1|P<3>,1|P<4>,5|C<4>}	C[5,5,6,6](C[4,5,5,6,6]P[4,5,5,6,6]C[4,5,6]C)(C[3x5,6,6]C[5,5,3x6]C[3x5,6]C)(C[5]C[5]C)(CH3){1|P<4>,2|C<3>,4|C<4>}	C[5](C[4,5,6]C[4,5,5,6,6]P[4,5,3x6]C)(C[5]C[5,5,6,6]C)(CH3){1|Cl<1>,1|P<3>,4|C<4>}	112.6730	0.000	1	112.6603	0.816	3	112.6603	0.816	3	112.6603	0.816	3	109.4094	10.524	8	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6,6]	C[5]	4:3:4:	4:4:3:4:	4:3:4:	C[5,5,6,6]-4:C[5]-3:C-4:	C[4,5,5,6,6]-4:C[3x5,6,6]-4:C[5]-3:C-4:	C[4,5,6]-4:C[5]-3:C-4:	C[5](C[5,5,6,6]C[4,5,5,6,6]C[3x5,6,6]C)(C[5]C[4,5,6]C)(CH3)	C[5,5,6,6](C[4,5,5,6,6]P[4,5,5,6,6]C[4,5,6]C)(C[3x5,6,6]C[5,5,3x6]C[3x5,6]C)(C[5]C[5]C)(CH3)	C[5](C[4,5,6]C[4,5,5,6,6]P[4,5,3x6]C)(C[5]C[5,5,6,6]C)(CH3)	C[5](C[5,5,6,6]C[4,5,5,6,6]C[3x5,6,6]C)(C[5]C[4,5,6]C)(CH3){1|P<3>,1|P<4>,5|C<4>}	C[5,5,6,6](C[4,5,5,6,6]P[4,5,5,6,6]C[4,5,6]C)(C[3x5,6,6]C[5,5,3x6]C[3x5,6]C)(C[5]C[5]C)(CH3){1|P<4>,2|C<3>,4|C<4>}	C[5](C[4,5,6]C[4,5,5,6,6]P[4,5,3x6]C)(C[5]C[5,5,6,6]C)(CH3){1|Ga<4>,1|P<3>,4|C<4>}	111.7510	0.000	1	112.6603	0.816	3	112.6603	0.816	3	112.6603	0.816	3	109.4094	10.524	8	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6,6]	C[5]	4:3:4:	4:4:3:4:	4:3:4:	C[5,5,6,6]-4:C[5]-3:C-4:	C[4,5,5,6,6]-4:C[3x5,6,6]-4:C[5]-3:C-4:	C[4,5,6]-4:C[5]-3:C-4:	C[5](C[5,5,6,6]C[4,5,5,6,6]C[3x5,6,6]C)(C[5]C[4,5,6]C)(CH3)	C[5,5,6,6](C[4,5,5,6,6]P[4,5,5,6,6]C[4,5,6]C)(C[3x5,6,6]C[5,5,3x6]C[3x5,6]C)(C[5]C[5]C)(CH3)	C[5](C[4,5,6]C[4,5,5,6,6]P[4,5,3x6]C)(C[5]C[5,5,6,6]C)(CH3)	C[5](C[5,5,6,6]C[4,5,5,6,6]C[3x5,6,6]C)(C[5]C[4,5,6]C)(CH3){1|P<3>,1|P<4>,5|C<4>}	C[5,5,6,6](C[4,5,5,6,6]P[4,5,5,6,6]C[4,5,6]C)(C[3x5,6,6]C[5,5,3x6]C[3x5,6]C)(C[5]C[5]C)(CH3){1|P<4>,2|C<3>,4|C<4>}	C[5](C[4,5,6]C[4,5,5,6,6]P[4,5,3x6]C)(C[5]C[5,5,6,6]C)(CH3){1|I<1>,1|P<3>,4|C<4>}	113.5570	0.000	1	112.6603	0.816	3	112.6603	0.816	3	112.6603	0.816	3	109.4094	10.524	8	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5,5]	4:3:1:	4:4:3:1:	4:4:3:	C[5,5,6]-4:C[5,5]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,5]C[5,5]C[5])(H)	C[5,5,6](C[3x5,6]C[3x5]C[5,6]C[5])(C[5,5,6]C[5,5,6]C[5,5]H)(C[5]C[5,5]H)(H)	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](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,5]C[5,5]C[5])(H){2|H<1>,2|N<3>,3|C<3>,3|C<4>}	C[5,5,6](C[3x5,6]C[3x5]C[5,6]C[5])(C[5,5,6]C[5,5,6]C[5,5]H)(C[5]C[5,5]H)(H){1|C<4>,3|C<3>,3|N<3>,4|H<1>}	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>}	112.1330	0.000	1	112.1330	0.000	1	112.1330	0.000	1	112.1330	0.000	1	112.1330	0.000	1	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,6]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5](C[5,5,6]C[5,5,6]2H)(C[5,6]C[5,6]C[6])(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6]O)(H)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5,6]O)(C[6]C[6]H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5,6]C[5,6]C[6])(O){1|C<3>,4|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6]O)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5,6]O)(C[6]C[6]H){1|N<3>,4|C<4>,4|H<1>}	108.3760	0.000	1	108.3760	0.000	1	108.3760	0.000	1	108.3760	0.000	1	108.6785	0.183	2	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5,6]	4:3:3:	4:4:3:2:	4:3:2:	C[5,5,6]-4:C[5,6]-3:C-3:	C[3x5,6]-4:C[5,6]-4:C[5]-3:O-2:	C[5,5,6,6]-4:C[5]-3:O[6]-2:	C[5](C[5,5,6]C[3x5,6]C[5,6]O)(C[5,6]C[5,5,6,6]O[6])(CCO)	C[5,5,6](C[3x5,6]C[5,5,6,6]O[5,5]C)(C[5,6]C[5,5,6]CC)(C[5]C[5,6]C)(OH)	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6]C[6])(C[5]C[5,5,6]C)(O[6]C[6])	C[5](C[5,5,6]C[3x5,6]C[5,6]O)(C[5,6]C[5,5,6,6]O[6])(CCO){1|C<3>,1|O<2>,6|C<4>}	C[5,5,6](C[3x5,6]C[5,5,6,6]O[5,5]C)(C[5,6]C[5,5,6]CC)(C[5]C[5,6]C)(OH){1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6]C[6])(C[5]C[5,5,6]C)(O[6]C[6]){1|C<3>,2|O<2>,4|H<1>,5|C<4>}	108.9810	0.000	1	108.9810	0.000	1	108.9810	0.000	1	108.9810	0.000	1	108.6785	0.183	2	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:1:	3:3:3:3:	3:4:1:	C[5,5,6]-4:C[5]-3:H-1:	C[5,6]-3:N[5,5]-3:C[5]-3:C[6]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[5]C[5]H)(H)	C[5,5,6](C[5,6]C[5]C[6])(N[5,5]C[5]2)(C[5]C[5]H)(C[6]C[6]H)	C[5](C[5]C[5,5,6]H)(C[5]N[5,5]HH)(H)	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[5]C[5]H)(H){1|C<4>,3|C<3>,3|H<1>}	C[5,5,6](C[5,6]C[5]C[6])(N[5,5]C[5]2)(C[5]C[5]H)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,6|H<1>}	C[5](C[5]C[5,5,6]H)(C[5]N[5,5]HH)(H){3|C<3>}	110.3650	0.000	1	110.3650	0.000	1	110.3650	0.000	1	110.3650	0.000	1	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:1:	4:2:4:3:	3:4:4:	C[5,5,6]-4:C[5]-3:H-1:	C[5,5]-4:O[5,6]-2:C[6]-4:C[5]-3:	C[5]-3:C[5]-4:C-4:	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]C)(H)	C[5,5,6](C[5,5]C[5]2H)(O[5,6]C[5,6])(C[6]C[6]CH)(C[5]C[5]H)	C[5](C[5]C[5,5,6]H)(C[5]C[5,5]HH)(CH3)	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]C)(H){1|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5]2H)(O[5,6]C[5,6])(C[6]C[6]CH)(C[5]C[5]H){1|O<1>,3|C<4>,4|H<1>}	C[5](C[5]C[5,5,6]H)(C[5]C[5,5]HH)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	112.1600	0.000	1	112.1600	0.000	1	112.1600	0.000	1	112.1600	0.000	1	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:1:	4:2:4:3:	4:3:1:	C[5,5,6]-4:C[5]-3:H-1:	C[5,6]-4:O[5,6]-2:C[5]-4:C[5]-3:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5,6]H)(H)	C[5,5,6](C[5,6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,5,6]H)(H)	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5,6]H)(H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,5,6]H)(H){1|C<3>,2|C<4>,2|H<1>}	108.2413	0.322	3	108.0667	0.191	4	108.0667	0.191	4	108.0667	0.191	4	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:1:	4:2:4:3:	4:3:1:	C[5,5,6]-4:C[5]-3:H-1:	C[5,6]-4:O[5,6]-2:C[5]-4:C[5]-3:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5,6]H)(H)	C[5,5,6](C[5,6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,5,6]H)(H)	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5,6]H)(H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[5]C[5]H){1|C<4>,1|O<1>,1|S<4>,4|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,5,6]H)(H){1|C<3>,2|C<4>,2|H<1>}	107.5430	0.000	1	108.0667	0.191	4	108.0667	0.191	4	108.0667	0.191	4	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:1:	4:3:4:3:	3:3:1:	C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[6,6a]-3:C[5,6]-4:C[5]-3:	N[5,6]-3:C[5]-3:O-1:	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5,6])(C[5]N[5,6]O)(H)	C[5,5,6](C[5,5,6]C[5,6]N[5,6]O)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5,6]H)(O)	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5,6])(C[5]N[5,6]O)(H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,6]N[5,6]O)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H){1|N<3>,2|C<3>,2|O<1>,3|C<4>,3|H<1>}	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5,6]H)(O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	107.0810	0.552	2	107.0810	0.304	2	107.0810	0.304	2	107.0810	0.304	2	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:1:	4:3:4:3:	4:3:1:	C[5,5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-3:C[5]-4:C[5]-3:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]H)(H)	C[5,5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O)(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5,5,6]H)(H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]H)(H){1|O<1>,4|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O)(C[5]C[5]HH)(C[5]C[5]H){2|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5,5,6]H)(H){1|O<1>,2|O<2>,3|C<4>}	111.8800	0.000	1	111.8800	0.000	1	111.8800	0.000	1	111.8800	0.000	1	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:1:	4:4:3:1:	3:3:1:	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]-3:C[5]-3:Cl-1:	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)	C[5](C[5]C[5,5,6]Cl)(C[5]C[5,5,6]O)(Cl)	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>}	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>}	C[5](C[5]C[5,5,6]Cl)(C[5]C[5,5,6]O)(Cl){2|Cl<1>,2|C<4>}	113.8150	0.000	1	113.8150	0.000	1	113.8150	0.000	1	109.1409	11.978	7	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:1:	4:4:3:1:	3:3:1:	C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:Br-1:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]Br)(H)	C[5,5,6](C[5,5,6]C[3x5]C[5,6]Br)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[5,5,6]H)(C[5]C[5,5,6]O)(Br)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]Br)(H){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,5,6](C[5,5,6]C[3x5]C[5,6]Br)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]H)(H){1|Br<1>,1|C<3>,1|O<1>,2|H<1>,2|O<2>}	C[5](C[5]C[5,5,6]H)(C[5]C[5,5,6]O)(Br){2|C<4>,2|H<1>}	112.2300	0.000	1	112.2300	0.000	1	112.2300	0.000	1	109.1409	11.978	7	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:1:	4:4:3:1:	3:3:1:	C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[5,5,6]H)2(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(H){3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]H)(H){1|C<3>,1|C<4>,6|H<1>}	C[5](C[5]C[5,5,6]H)2(H){2|C<4>,2|H<1>}	108.4760	4.803	2	108.4760	23.066	2	108.4760	23.066	2	109.1409	11.978	7	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:1:	4:4:3:1:	3:3:1:	C[5,5,6]-4:C[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:Cl-1:	C[5]-3:C[5]-3:Cl-1:	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)	C[5](C[5]C[5,5,6]Cl)(C[5]C[5,5,6]O)(Cl)	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>}	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>}	C[5](C[5]C[5,5,6]Cl)(C[5]C[5,5,6]O)(Cl){2|Cl<1>,2|C<4>}	106.7390	0.000	1	106.7390	0.000	1	106.7390	0.000	1	109.1409	11.978	7	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:1:	4:4:3:1:	3:3:1:	C[5,5,6]-4:C[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:Br-1:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]Br)(O)	C[5,5,6](C[5,5,6]C[3x5]C[5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5,5,6]H)(C[5]C[5,5,6]O)(Br)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]Br)(O){1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[3x5]C[5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]O)(H){2|Br<1>,1|C<3>,2|H<1>,2|O<2>}	C[5](C[5]C[5,5,6]H)(C[5]C[5,5,6]O)(Br){2|C<4>,2|H<1>}	105.9780	0.000	1	105.9780	0.000	1	105.9780	0.000	1	109.1409	11.978	7	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:1:	4:4:3:1:	3:3:1:	C[5,5,6]-4:C[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]C[5])(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H)	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5,6]O)(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(O){1|C<4>,1|H<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]C[5])(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5,6]O)(H){1|H<1>,2|C<4>,3|C<3>}	108.2720	0.000	1	108.2720	0.000	1	108.2720	0.000	1	109.1409	11.978	7	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:C[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(O)	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)(C[5]C[5]O)(H)	C[5](C[5]C[5,5,6]B[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(O){1|B<3>,2|C<4>,2|H<1>,3|C<3>}	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)(C[5]C[5]O)(H){1|B<3>,2|C<3>,4|H<1>}	C[5](C[5]C[5,5,6]B[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]2){2|C<3>,2|C<4>,2|N<3>,4|H<1>}	108.2360	0.372	2	108.2360	0.138	2	108.6253	0.171	9	108.6277	0.138	11	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:C[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(O)	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)(C[5]C[5]O)(H)	C[5](C[5]C[5,5,6]C[5])(C[5]C[5,5,6]O)(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(O){2|C<3>,2|H<1>,4|C<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)(C[5]C[5]O)(H){1|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5,5,6]C[5])(C[5]C[5,5,6]O)(C[6a]C[6a]2){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	109.0490	0.000	1	109.0490	0.000	1	108.6253	0.171	9	108.6277	0.138	11	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:C[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(O)	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)(C[5]C[5]O)(H)	C[5](C[5]C[5,5,6]C[5a])(C[5]C[5,5,6]O)(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(O){2|H<1>,3|C<3>,3|C<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)(C[5]C[5]O)(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[5,5,6]C[5a])(C[5]C[5,5,6]O)(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	108.4340	0.000	1	108.4340	0.000	1	108.6253	0.171	9	108.6277	0.138	11	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:C[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(O)	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)(C[5]C[5]O)(H)	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(O){2|H<1>,3|C<3>,3|C<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)(C[5]C[5]O)(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	108.7985	0.434	4	108.7985	0.189	4	108.6253	0.171	9	108.6277	0.138	11	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:C[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]C[5])(C[5,5,6]C[5,5]C[5,6]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,5,6]C)(C[5]C[5,5,6]O)(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(O){1|C<4>,7|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]C[5])(C[5,5,6]C[5,5]C[5,6]C[6a])(C[5]C[5]O)(H){1|H<1>,1|O<1>,8|C<3>}	C[5](C[5]C[5,5,6]C)(C[5]C[5,5,6]O)(C[6a]C[6a]2){2|C<4>,3|C<3>,3|H<1>}	108.4790	0.000	1	108.4790	0.000	1	108.6253	0.171	9	108.6277	0.138	11	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:C[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5a]-3:C[5]-3:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5a]C[5])(O)	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)(C[5]C[5]O)(H)	C[5](C[5]C[5,5,6]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5,5,6]O)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5a]C[5])(O){1|N<3>,2|C<3>,2|H<1>,3|C<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)(C[5]C[5]O)(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[5,5,6]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5,5,6]O){3|C<4>,3|H<1>,4|C<3>}	108.7170	0.000	1	108.7170	0.000	1	108.7170	0.000	1	108.6277	0.138	11	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:C[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(O)	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)(C[5]C[5]O)(H)	C[5](C[5]C[5,5,6]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5,5,6]O)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(O){1|N<2>,2|C<3>,2|H<1>,3|C<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)(C[5]C[5]O)(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[5,5,6]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5,5,6]O){2|C<4>,3|H<1>,4|C<3>}	108.5600	0.000	1	108.5600	0.000	1	108.5600	0.000	1	108.6277	0.138	11	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(H)	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)(C[5]C[5]H)(H)	C[5](C[5]C[5,5,6]H)(C[5]C[5,5,6]O)(CC[6a]HO)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	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)(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5](C[5]C[5,5,6]H)(C[5]C[5,5,6]O)(CC[6a]HO){2|C<4>,2|H<1>}	113.5080	0.000	1	113.7440	0.111	2	113.7440	0.111	2	109.9446	9.505	12	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(H)	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)(C[5]C[5]H)(H)	C[5](C[5]C[5,5,6]H)(C[5]C[5,5,6]O)(CC[6a]HO)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(H){1|O<1>,2|H<1>,3|C<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)(C[5]C[5]H)(H){1|O<1>,2|C<4>,5|H<1>}	C[5](C[5]C[5,5,6]H)(C[5]C[5,5,6]O)(CC[6a]HO){2|C<4>,2|H<1>}	113.9800	0.000	1	113.7440	0.111	2	113.7440	0.111	2	109.9446	9.505	12	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]2)(H)	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)(C[5]C[5]H)(H)	C[5](C[5]C[5,5,6]H)(C[5]C[5,5,6]O)(C[5]C[5]2Fe)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]2)(H){1|Fe<10>,1|O<1>,2|H<1>,5|C<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)(C[5]C[5]H)(H){1|O<1>,2|C<4>,5|H<1>}	C[5](C[5]C[5,5,6]H)(C[5]C[5,5,6]O)(C[5]C[5]2Fe){4|C<4>,4|H<1>}	114.5050	0.000	1	114.5050	0.000	1	114.5050	0.000	1	109.9446	9.505	12	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C[6])(H)	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)(C[5]C[5]H)(H)	C[5](C[5]C[5,5,6]H)2(C[6]C[6]2Cr)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C[6])(H){1|Cr<9>,1|C<2>,1|C<3>,3|C<4>,3|H<1>}	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)(C[5]C[5]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5,6]H)2(C[6]C[6]2Cr){1|C<3>,3|C<4>,3|H<1>}	104.5660	0.000	1	104.5660	0.000	1	108.9180	37.880	2	109.9446	9.505	12	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C[6])(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[5,5,6]H)2(C[6]C[6]2Cr)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C[6])(H){1|Cr<9>,2|C<3>,2|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]H)(H){1|Cr<9>,1|C<2>,1|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5,5,6]H)2(C[6]C[6]2Cr){1|C<3>,3|C<4>,3|H<1>}	113.2700	0.000	1	113.2700	0.000	1	108.9180	37.880	2	109.9446	9.505	12	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5,6]-4:C[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]O)(H)	C[5](C[5]C[5,5,6]C)(C[5]C[5,5,6]O)(CH3)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(O){1|C<3>,5|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]O)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5,6]C)(C[5]C[5,5,6]O)(CH3){1|H<1>,3|C<4>}	108.4020	0.123	2	108.5533	0.076	3	108.4947	0.039	6	109.9446	9.505	12	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5,6]-4:C[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]O)(H)	C[5](C[5]C[5,5,6]C)(C[5]C[5,5,6]O)(CH3)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(O){2|C<3>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]O)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5](C[5]C[5,5,6]C)(C[5]C[5,5,6]O)(CH3){1|H<1>,3|C<4>}	108.8560	0.000	1	108.5533	0.076	3	108.4947	0.039	6	109.9446	9.505	12	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5,6]-4:C[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(O)	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)(C[5]C[5]O)(H)	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5,6]O)(CCFF)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(O){2|C<3>,2|C<4>,2|H<1>}	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)(C[5]C[5]O)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5,6]O)(CCFF){2|C<3>,2|C<4>,2|H<1>}	108.3830	0.000	1	108.3830	0.000	1	108.4947	0.039	6	109.9446	9.505	12	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5,6]-4:C[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(O)	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)(C[5]C[5]O)(H)	C[5](C[5]C[5,5,6]H)(C[5]C[5,5,6]O)(CC[6a]HO)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(O){1|C<3>,2|C<4>,3|H<1>}	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)(C[5]C[5]O)(H){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[5,5,6]H)(C[5]C[5,5,6]O)(CC[6a]HO){2|C<4>,2|H<1>}	108.3690	0.000	1	108.4625	0.017	2	108.4947	0.039	6	109.9446	9.505	12	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5,6]-4:C[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(O)	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)(C[5]C[5]O)(H)	C[5](C[5]C[5,5,6]H)(C[5]C[5,5,6]O)(CC[6a]HO)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(O){3|C<4>,3|H<1>}	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)(C[5]C[5]O)(H){2|C<4>,6|H<1>}	C[5](C[5]C[5,5,6]H)(C[5]C[5,5,6]O)(CC[6a]HO){2|C<4>,2|H<1>}	108.5560	0.000	1	108.4625	0.017	2	108.4947	0.039	6	109.9446	9.505	12	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5,6]-4:C[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]2)(O)	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)(C[5]C[5]O)(H)	C[5](C[5]C[5,5,6]H)(C[5]C[5,5,6]O)(C[5]C[5]2Fe)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]2)(O){1|Fe<10>,3|H<1>,5|C<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)(C[5]C[5]O)(H){2|C<4>,6|H<1>}	C[5](C[5]C[5,5,6]H)(C[5]C[5,5,6]O)(C[5]C[5]2Fe){4|C<4>,4|H<1>}	108.5380	0.000	1	108.5380	0.000	1	108.5380	0.000	1	109.9446	9.505	12	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[3,5]-4:C[5]-3:H-1:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[3,5]H)(H)	C[5,5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[5,5,6]C[5,5,6]C[3,5]H)(C[5]C[5]H)(H)	C[5](C[3,5]C[5,5,6]C[3]2)(C[5]C[5,5,6]H)(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[3,5]H)(H){1|C<3>,2|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[5,5,6]C[5,5,6]C[3,5]H)(C[5]C[5]H)(H){1|C<3>,3|H<1>,4|C<4>}	C[5](C[3,5]C[5,5,6]C[3]2)(C[5]C[5,5,6]H)(H){2|C<4>,6|H<1>}	112.8070	0.000	1	112.8070	0.000	1	112.8070	0.000	1	112.0090	6.694	5	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]H)(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(H){3|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]H)(H){1|C<3>,1|C<4>,7|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]H)(H){2|C<4>,2|H<1>}	112.8240	0.000	1	112.8240	0.000	1	111.8095	8.660	4	112.0090	6.694	5	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(H)	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)(C[5]C[5]H)(H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]H)(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(H){1|C<3>,3|C<4>,3|H<1>}	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)(C[5]C[5]H)(H){1|C<3>,1|C<4>,6|H<1>}	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]H)(H){2|C<4>,2|H<1>}	113.6280	0.000	1	113.6280	0.000	1	111.8095	8.660	4	112.0090	6.694	5	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(H)	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)(C[5]C[5]H)(H)	C[5](C[5]C[5,5,6]HO)(C[5]C[5,5,6]H)(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	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)(C[5]C[5]H)(H){1|C<3>,1|O<2>,6|H<1>}	C[5](C[5]C[5,5,6]HO)(C[5]C[5,5,6]H)(H){2|C<4>,2|H<1>}	113.3620	0.000	1	113.3620	0.000	1	111.8095	8.660	4	112.0090	6.694	5	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(H)	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]H)(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]H)(H){2|C<3>,6|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]H)(H){2|C<4>,2|H<1>}	107.4240	0.000	1	107.4240	0.000	1	111.8095	8.660	4	112.0090	6.694	5	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:1:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(H)	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)(C[5]C[5]H)(H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]H)(COO)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(H){1|C<3>,2|C<4>,4|H<1>}	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)(C[5]C[5]H)(H){2|C<3>,6|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]H)(COO){2|C<4>,2|H<1>}	112.7170	0.000	1	112.7170	0.000	1	110.7715	7.570	2	110.3920	4.217	3	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:1:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]H)(COO)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(H){1|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]H)(H){4|Cl<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]H)(COO){2|C<4>,2|H<1>}	108.8260	0.000	1	108.8260	0.000	1	110.7715	7.570	2	110.3920	4.217	3	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:1:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(O)	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)(C[5]C[5]O)(H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]O)(CC[6a]H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(O){1|C<3>,3|C<4>,3|H<1>}	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)(C[5]C[5]O)(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]O)(CC[6a]H){2|C<4>,2|H<1>}	109.6330	0.000	1	109.6330	0.000	1	109.6330	0.000	1	110.3920	4.217	3	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:1:	4:4:3:1:	4:3:4:	C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(H)	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)(C[5]C[5]H)(H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]H)(CH3)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(H){3|H<1>,4|C<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)(C[5]C[5]H)(H){3|C<4>,6|H<1>}	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]H)(CH3){2|C<4>,2|H<1>}	114.0060	0.000	1	114.0060	0.000	1	114.0060	0.000	1	114.0060	0.000	1	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:1:	4:4:3:2:	3:3:1:	C[5,5,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5]-3:O[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5,6]C[5,6,6]2O[5])(C[5]C[5]H)(H)	C[5,5,6](C[5,6,6]C[6,6]C[5]N[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]H)(O[5]C[5])	C[5](C[5]C[5,5,6]H)(C[5]O[5]O)(H)	C[5](C[5,5,6]C[5,6,6]2O[5])(C[5]C[5]H)(H){1|H<1>,1|N<3>,1|O<1>,4|C<4>}	C[5,5,6](C[5,6,6]C[6,6]C[5]N[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]H)(O[5]C[5]){1|C<3>,1|O<1>,4|C<4>,7|H<1>}	C[5](C[5]C[5,5,6]H)(C[5]O[5]O)(H){2|C<4>}	110.5900	0.000	1	110.5900	0.000	1	110.5900	0.000	1	109.7530	1.401	2	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:1:	4:4:3:2:	3:3:1:	C[5,5,6]-4:C[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:O-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5,6]C[5,5,6]2O)(C[5]C[5]H)(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]O)(OH)	C[5](C[5]C[5,5,6]C)(C[5]C[5,5,6]O)(H)	C[5](C[5,5,6]C[5,5,6]2O)(C[5]C[5]H)(O){1|O<2>,5|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]O)(OH){1|O<2>,3|H<1>,4|C<4>}	C[5](C[5]C[5,5,6]C)(C[5]C[5,5,6]O)(H){2|C<4>,2|O<2>}	108.9160	0.000	1	108.9160	0.000	1	108.9160	0.000	1	109.7530	1.401	2	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:1:	4:4:3:2:	3:4:1:	C[5,5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:O[5]-2:	C[5]-3:C[5]-4:H-1:	C[5](C[5,5,6]C[5,6]2O[5])(C[5]C[5]H)(H)	C[5,5,6](C[5,6]C[3,5,6]C[6,6a]O)(C[5,6]C[3,5,6]C[6]C)(C[5]C[5]H)(O[5]C[5])	C[5](C[5]C[5,5,6]H)(C[5]O[5]CC)(H)	C[5](C[5,5,6]C[5,6]2O[5])(C[5]C[5]H)(H){1|O<2>,3|C<3>,4|C<4>}	C[5,5,6](C[5,6]C[3,5,6]C[6,6a]O)(C[5,6]C[3,5,6]C[6]C)(C[5]C[5]H)(O[5]C[5]){1|H<1>,1|O<1>,1|O<2>,2|C<4>,4|C<3>}	C[5](C[5]C[5,5,6]H)(C[5]O[5]CC)(H){2|C<4>}	109.5420	0.000	1	109.5420	0.000	1	109.5420	0.000	1	109.5420	0.000	1	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:1:	4:4:3:2:	4:3:1:	C[5,5,6]-4:C[5]-3:H-1:	C[3x5,6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5,5,6]C[3x5,6]C[6]O[5])(C[5]C[5,5]H)(H)	C[5,5,6](C[3x5,6]C[5,5]O[5,6]C[5])(C[6]C[6]HH)(C[5]C[5]H)(O[5]C[5])	C[5](C[5,5]C[3x5,6]C[5]C)(C[5]C[5,5,6]H)(H)	C[5](C[5,5,6]C[3x5,6]C[6]O[5])(C[5]C[5,5]H)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[3x5,6]C[5,5]O[5,6]C[5])(C[6]C[6]HH)(C[5]C[5]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[3x5,6]C[5]C)(C[5]C[5,5,6]H)(H){1|C<3>,1|H<1>,2|C<4>,3|O<2>}	111.9235	0.230	2	111.9235	0.053	2	111.9235	0.053	2	111.9235	0.053	2	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:1:	4:4:3:3:	4:3:1:	C[5,5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]H)(H)	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,6]O)(C[5]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,5,6]H)(H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]H)(H){1|O<1>,3|H<1>,5|C<4>}	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,6]O)(C[5]C[5]H){4|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,5,6]H)(H){1|C<3>,2|C<4>,4|H<1>}	109.2260	0.000	1	109.2260	0.000	1	109.2260	0.000	1	109.2260	0.000	1	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:1:	4:4:3:4:	3:3:1:	C[5,5,6]-4:C[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5,6]C[5,5,6]2C)(C[5]C[5]H)(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,5,6]C)(C[5]C[5,5,6]O)(H)	C[5](C[5,5,6]C[5,5,6]2C)(C[5]C[5]H)(O){2|C<3>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]O)(CH3){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5,6]C)(C[5]C[5,5,6]O)(H){4|C<4>}	108.1350	0.000	1	108.1350	0.000	1	108.1350	0.000	1	108.1350	0.000	1	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:1:	4:4:4:3:	3:2:1:	C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:P-4:C[5]-3:	C[5]-3:O[5]-2:H-1:	C[5](C[5,5,6]C[5,5,6]2P)(C[5]O[5]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,6]P[5,5]H)(PC[6a]2Pt)(C[5]C[5]H)	C[5](C[5]C[5,5,6]H)(O[5]C[5,5,6])(H)	C[5](C[5,5,6]C[5,5,6]2P)(C[5]O[5]H)(H){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,6]P[5,5]H)(PC[6a]2Pt)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5,6]H)(O[5]C[5,5,6])(H){1|H<1>,1|P<4>,2|C<4>}	109.0790	0.000	1	109.0790	0.000	1	109.0790	0.000	1	109.0790	0.000	1	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:1:	4:4:4:3:	3:3:1:	C[5,5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]H)(H)	C[5,5,6](C[5,6]C[6,6]O[5]H)(C[5,5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]H)	C[5](C[5]C[5,5,6]H)(C[5]C[5,5]O)(H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5,5,6](C[5,6]C[6,6]O[5]H)(C[5,5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]H){1|C<3>,1|C<4>,2|O<1>,3|H<1>}	C[5](C[5]C[5,5,6]H)(C[5]C[5,5]O)(H){1|C<3>,1|H<1>,2|C<4>}	113.7410	0.000	1	113.7410	0.000	1	113.7410	0.000	1	111.4260	10.718	2	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:1:	4:4:4:3:	3:3:1:	C[5,5,6]-4:C[5]-3:O-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]N[5]O)(O)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[5]N[5]HH)(C[5]C[5]O)	C[5](C[5]C[5,5,6]O)(N[5]C[5]C)(O)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]N[5]O)(O){2|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[5]N[5]HH)(C[5]C[5]O){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5]C[5,5,6]O)(N[5]C[5]C)(O){2|C<4>,2|H<1>}	109.1110	0.000	1	109.1110	0.000	1	109.1110	0.000	1	111.4260	10.718	2	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:1:	4:4:4:3:	3:3:4:	C[5,5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]C)(H)	C[5,5,6](C[5,6]C[6,6]O[5]H)(C[5,5]C[5]2O)(C[6]C[6]HH)(C[5]C[5]H)	C[5](C[5]C[5,5,6]H)(C[5]C[5,5]O)(CCCH)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	C[5,5,6](C[5,6]C[6,6]O[5]H)(C[5,5]C[5]2O)(C[6]C[6]HH)(C[5]C[5]H){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[5](C[5]C[5,5,6]H)(C[5]C[5,5]O)(CCCH){1|C<3>,1|O<2>,2|C<4>}	116.7420	0.000	1	116.7420	0.000	1	116.7420	0.000	1	116.7420	0.000	1	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:1:	4:4:4:3:	4:3:1:	C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]H)(H)	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]H)(H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]H)(H){1|C<3>,3|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]H){1|C<4>,1|O<1>,1|O<2>,8|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]H)(H){1|C<3>,3|C<4>}	112.4460	0.000	1	112.4460	0.000	1	112.4460	0.000	1	112.4460	0.000	1	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:2:	4:3:4:3:	3:2:3:	C[5,5,6]-4:C[5]-3:C-2:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5]-3:O[5]-2:N-3:	C[5](C[5,5,6]C[6,6a]C[5,5]C[5,6])(C[5]O[5]N)(CN)	C[5,5,6](C[5,5]C[6a]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]C)	C[5](C[5]C[5,5,6]C)(O[5]C[5,5])(NHH)	C[5](C[5,5,6]C[6,6a]C[5,5]C[5,6])(C[5]O[5]N)(CN){1|H<1>,3|C<3>,3|C<4>}	C[5,5,6](C[5,5]C[6a]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]C){1|N<2>,1|N<3>,1|O<2>,4|C<3>,6|H<1>}	C[5](C[5]C[5,5,6]C)(O[5]C[5,5])(NHH){2|C<3>,2|C<4>}	111.0100	0.000	1	111.0100	0.000	1	111.0100	0.000	1	111.0100	0.000	1	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:2:	4:4:3:2:	4:3:1:	C[5,5,6]-4:C[5]-3:C-2:	C[5,5,6]-4:C[5,6]-4:C[5]-3:C-2:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5]C[5,6]H)(CN)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]H)(C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5]C)(CN)	C[5](C[5,6]C[5,5,6]C[6,6a]H)(C[5]C[5,5,6]C)(H)	C[5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5]C[5,6]H)(CN){3|H<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]H)(C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5]C)(CN){2|H<1>,4|C<3>}	C[5](C[5,6]C[5,5,6]C[6,6a]H)(C[5]C[5,5,6]C)(H){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	109.7840	0.000	1	109.7840	0.000	1	109.7840	0.000	1	109.7840	0.000	1	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:2:	4:4:4:3:	3:4:1:	C[5,5,6]-4:C[5]-3:O-2:	C[5,6]-4:C[5,5]-4:C[6]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]H)(OSi)	C[5,5,6](C[5,6]C[6,6]C[5]O)(C[5,5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O)	C[5](C[5]C[5,5,6]O)(C[5]C[5,5]HH)(H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]H)(OSi){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[6,6]C[5]O)(C[5,5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,7|H<1>}	C[5](C[5]C[5,5,6]O)(C[5]C[5,5]HH)(H){1|H<1>,3|C<4>}	113.9230	0.000	1	113.9230	0.000	1	113.9230	0.000	1	113.9230	0.000	1	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:2:	4:4:4:3:	4:3:1:	C[5,5,6]-4:C[5]-3:O-2:	C[3,5,6]-4:C[5,6]-4:C[5]-4:C[5]-3:	C[3,5]-4:C[5]-3:H-1:	C[5](C[5,5,6]C[3,5,6]C[5,6]C[5])(C[5]C[3,5]H)(OC)	C[5,5,6](C[3,5,6]C[3,5]C[3,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[5]C[5]O)	C[5](C[3,5]C[3,5,6]C[3,6]H)(C[5]C[5,5,6]O)(H)	C[5](C[5,5,6]C[3,5,6]C[5,6]C[5])(C[5]C[3,5]H)(OC){1|C<3>,4|C<4>,4|H<1>}	C[5,5,6](C[3,5,6]C[3,5]C[3,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,1|O<1>,7|H<1>}	C[5](C[3,5]C[3,5,6]C[3,6]H)(C[5]C[5,5,6]O)(H){2|H<1>,3|C<4>}	114.8775	0.588	2	114.8775	0.345	2	114.8775	0.345	2	114.8775	0.345	2	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:3:	3:4:3:3:	3:3:3:	C[5,5,6]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[5,6a]C[6])(C[5]C[6a]C[5])	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2){10|C<3>,1|O<1>,2|H<1>}	C[5,5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[5,6a]C[6])(C[5]C[6a]C[5]){11|C<3>,1|H<1>,1|O<1>}	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]2){2|H<1>,8|C<3>}	111.9400	0.000	1	111.9400	0.000	1	111.9400	0.000	1	109.8037	3.486	3	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:3:	3:4:3:3:	3:3:3:	C[5,5,6]-4:C[5]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5,5]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[6,6a]C[5,5]C[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2)	C[5](C[5,5,6]C[6,6a]C[5,5]C[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]2){10|C<3>,3|H<1>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]){1|H<1>,1|O<1>,1|O<2>,8|C<3>}	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	108.7355	0.354	2	108.7355	0.126	2	108.7355	0.126	2	109.8037	3.486	3	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:3:	3:4:4:3:	3:3:1:	C[5,5,6]-4:C[5]-3:C-3:	C[6,6a]-3:C[5,5]-4:C[5,6]-4:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,5,6]C[6,6a]C[5,5]C[5,6])(C[5]N[5]O)(CCH)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[6]N[5]H)(C[5]C[5]C)	C[5](C[5]C[5,5,6]C)(N[5]C[5,5]C)(O)	C[5](C[5,5,6]C[6,6a]C[5,5]C[5,6])(C[5]N[5]O)(CCH){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[6]N[5]H)(C[5]C[5]C){2|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[5,5,6]C)(N[5]C[5,5]C)(O){1|C<4>,1|H<1>,2|C<3>}	107.8690	0.000	1	107.8690	0.000	1	107.8690	0.000	1	107.8690	0.000	1	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:3:	4:3:3:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:N[5,5]-3:C[6]-3:	C[5]-3:C[5]-3:I-1:	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[6a]C[6a]2)(C[5]C[5]I)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(N[5,5]C[5]2)(C[6]C[6]H)	C[5](C[5]C[5,5,6]C[6a])(C[5]N[5,5]O)(I)	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[6a]C[6a]2)(C[5]C[5]I){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(N[5,5]C[5]2)(C[6]C[6]H){1|I<1>,2|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[5,5,6]C[6a])(C[5]N[5,5]O)(I){2|C<4>,3|C<3>}	108.6080	0.000	1	108.3687	0.197	3	108.3687	0.197	3	108.3687	0.197	3	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:3:	4:3:3:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:N[5,5]-3:C[6]-3:	C[5]-3:C[5]-3:I-1:	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[6a]C[6a]2)(C[5]C[5]I)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(N[5,5]C[5]2)(C[6]C[6]H)	C[5](C[5]C[5,5,6]C[6a])(C[5]N[5,5]O)(I)	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[6a]C[6a]2)(C[5]C[5]I){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(N[5,5]C[5]2)(C[6]C[6]H){1|I<1>,2|O<1>,3|C<3>,5|H<1>}	C[5](C[5]C[5,5,6]C[6a])(C[5]N[5,5]O)(I){2|C<4>,3|C<3>}	108.2490	0.554	2	108.3687	0.197	3	108.3687	0.197	3	108.3687	0.197	3	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:3:	4:3:3:3:	3:4:1:	C[5,5,6]-4:C[6a]-3:C[5]-3:	C[5,6]-4:N[5,5]-3:C[5]-3:C[6]-3:	C[5]-3:C[5]-4:I-1:	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[6a]C[6a]2)(C[5]C[5]I)	C[5,5,6](C[5,6]C[5]C[6]H)(N[5,5]C[5]S[5])(C[5]C[6a]C[5])(C[6]C[6]H)	C[5](C[5]C[5,5,6]C[6a])(C[5]N[5,5]CH)(I)	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[6a]C[6a]2)(C[5]C[5]I){1|S<4>,2|C<4>,4|C<3>,5|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(N[5,5]C[5]S[5])(C[5]C[6a]C[5])(C[6]C[6]H){1|I<1>,2|O<1>,4|C<3>,6|H<1>}	C[5](C[5]C[5,5,6]C[6a])(C[5]N[5,5]CH)(I){1|C<4>,1|S<4>,3|C<3>}	109.8990	0.000	1	109.8990	0.000	1	109.8990	0.000	1	109.8990	0.000	1	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:3:	4:3:3:3:	4:3:3:	C[5,5,6]-4:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6]-3:C[5]-3:C[5]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	C[5,5,6](C[5,6]C[5,6]CC)(C[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[5]N[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]C[6a])(C[6a]C[6a]2){1|C<4>,1|N<2>,3|H<1>,9|C<3>}	C[5,5,6](C[5,6]C[5,6]CC)(C[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[5]N[5]C){1|H<1>,6|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,8|C<3>}	108.4730	0.000	1	108.4730	0.000	1	108.4730	0.000	1	108.4730	0.000	1	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:3:	4:3:4:3:	3:3:1:	C[5,5,6]-4:C[5]-3:C-3:	C[5,6]-4:C[5,5]-3:C[6]-4:C[5]-3:	C[5]-3:C[5]-3:O-1:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(CHH)	C[5,5,6](C[5,6]C[6,6a]N[5]H)(C[5,5]C[5]2)(C[6]O[6]HH)(C[5]C[5]C)	C[5](C[5]C[5,5,6]C)(C[5]C[5,5]H)(O)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(CHH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[5,5,6](C[5,6]C[6,6a]N[5]H)(C[5,5]C[5]2)(C[6]O[6]HH)(C[5]C[5]C){1|O<1>,1|S<3>,2|C<3>,3|H<1>}	C[5](C[5]C[5,5,6]C)(C[5]C[5,5]H)(O){3|C<4>}	106.8020	0.000	1	106.8020	0.000	1	106.8020	0.000	1	106.8020	0.000	1	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:3:	4:4:3:1:	3:2:1:	C[5,5,6]-4:C[5]-3:C-3:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]O)(CC[6a]Cl)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]C)(H)	C[5](C[5]C[5,5,6]C)(O[5]C[5,5,6])(O)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]O)(CC[6a]Cl){2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]C)(H){1|C<4>,1|O<1>,5|H<1>}	C[5](C[5]C[5,5,6]C)(O[5]C[5,5,6])(O){2|C<4>,2|H<1>}	108.4655	0.011	2	108.4655	0.000	2	108.4655	0.000	2	108.4655	0.000	2	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:3:	4:4:3:1:	3:3:1:	C[5,5,6]-4:C[5]-3:C-3:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(CCC)	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]C[5])(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]C)(H)	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5,6]C)(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(CCC){1|C<4>,1|H<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]C[5])(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]C)(H){2|H<1>,6|C<3>}	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5,6]C)(H){1|H<1>,2|C<4>,3|C<3>}	109.0870	0.000	1	109.0870	0.000	1	109.0870	0.000	1	109.0870	0.000	1	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:3:	4:4:3:1:	3:3:3:	C[5,5,6]-4:C[5]-3:B[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(B[6a]N[6a]2)	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)(C[5]B[6a]C[5])(H)	C[5](C[5]C[5,5,6]B[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(B[6a]N[6a]2){1|O<1>,2|C<4>,4|H<1>,5|C<3>}	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)(C[5]B[6a]C[5])(H){1|O<1>,2|C<3>,2|N<3>,4|H<1>}	C[5](C[5]C[5,5,6]B[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]2){2|C<3>,2|C<4>,2|N<3>,4|H<1>}	111.7960	0.264	2	111.7960	0.070	2	111.7960	0.070	2	112.4904	0.454	9	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:3:	4:4:3:1:	3:3:3:	C[5,5,6]-4:C[5]-3:C[5a]-3:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(C[5a]C[5a]2)	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)(C[5]C[5a]C[5])(H)	C[5](C[5]C[5,5,6]C[5a])(C[5]C[5,5,6]O)(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(C[5a]C[5a]2){1|O<1>,1|S<2>,3|C<3>,3|C<4>,4|H<1>}	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)(C[5]C[5a]C[5])(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[5](C[5]C[5,5,6]C[5a])(C[5]C[5,5,6]O)(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	112.9430	0.000	1	112.9430	0.000	1	112.9430	0.000	1	112.4904	0.454	9	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:3:	4:4:3:1:	3:3:3:	C[5,5,6]-4:C[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(C[6a]C[6a]2)	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)(C[5]C[6a]C[5])(H)	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<2>,1|O<1>,3|C<3>,3|C<4>,4|H<1>}	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)(C[5]C[6a]C[5])(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	112.9310	0.000	1	112.6267	0.514	3	112.6267	0.514	3	112.4904	0.454	9	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:3:	4:4:3:1:	3:3:3:	C[5,5,6]-4:C[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(C[6a]C[6a]2)	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)(C[5]C[6a]C[5])(H)	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,3|C<4>,4|C<3>,4|H<1>}	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)(C[5]C[6a]C[5])(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	112.4745	0.943	2	112.6267	0.514	3	112.6267	0.514	3	112.4904	0.454	9	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:3:	4:4:3:1:	3:3:3:	C[5,5,6]-4:C[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5a]-3:C[5]-3:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5a]C[5])(C[6a]C[6a]2)	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)(C[5]C[6a]C[5])(H)	C[5](C[5]C[5,5,6]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5,5,6]O)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5a]C[5])(C[6a]C[6a]2){1|N<3>,1|O<1>,3|C<3>,3|C<4>,4|H<1>}	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)(C[5]C[6a]C[5])(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[5](C[5]C[5,5,6]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5,5,6]O){3|C<4>,3|H<1>,4|C<3>}	112.4440	0.000	1	112.4440	0.000	1	112.4440	0.000	1	112.4904	0.454	9	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:3:	4:4:3:1:	3:3:3:	C[5,5,6]-4:C[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(C[6a]C[6a]2)	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)(C[5]C[6a]C[5])(H)	C[5](C[5]C[5,5,6]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5,5,6]O)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<2>,1|O<1>,3|C<3>,3|C<4>,4|H<1>}	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)(C[5]C[6a]C[5])(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[5](C[5]C[5,5,6]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5,5,6]O){2|C<4>,3|H<1>,4|C<3>}	112.0210	0.000	1	112.0210	0.000	1	112.0210	0.000	1	112.4904	0.454	9	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:3:	4:4:3:1:	3:3:3:	C[5,5,6]-4:C[6a]-3:C[5]-3:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[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)(C[5]C[6a]C[5])(H)	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5]){1|O<1>,3|C<4>,3|H<1>,5|C<3>}	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)(C[5]C[6a]C[5])(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	113.5340	0.000	1	113.5340	0.000	1	113.5340	0.000	1	112.4904	0.454	9	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:3:	4:4:3:1:	3:3:4:	C[5,5,6]-4:C[6a]-3:C[5]-3:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)(C[5]C[5]C)	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)(C[5]C[6a]C[5])(H)	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5,6]O)(CCFF)	C[5](C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	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)(C[5]C[6a]C[5])(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5,6]O)(CCFF){2|C<3>,2|C<4>,2|H<1>}	111.6170	0.000	1	111.6170	0.000	1	111.6170	0.000	1	111.6170	0.000	1	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:3:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5,6]C)(C[6a]C[6a]2)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[6]H)(C[5]C[6a]C[5])(H)	C[5](C[5,6]C[5,5,6]N[6]H)(C[5]C[5,5,6]C[6a])(COO)	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5,6]C)(C[6a]C[6a]2){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[6]H)(C[5]C[6a]C[5])(H){1|N<3>,3|H<1>,5|C<3>}	C[5](C[5,6]C[5,5,6]N[6]H)(C[5]C[5,5,6]C[6a])(COO){1|H<1>,3|C<3>,4|C<4>}	108.0257	0.319	3	108.0257	0.102	3	108.0257	0.102	3	108.0257	0.102	3	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:3:	4:4:3:2:	4:3:1:	C[5,5,6]-4:C[5]-3:C-3:	C[5,5,6]-4:C[5,6]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5,6]C[5,5,6]C[5,6]O)(C[5]C[5]H)(CCO)	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5,6]C[5]C[6]H)(C[5]C[5]C)(OH)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]C)(H)	C[5](C[5,5,6]C[5,5,6]C[5,6]O)(C[5]C[5]H)(CCO){1|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5,6]C[5]C[6]H)(C[5]C[5]C)(OH){1|O<1>,2|C<4>,8|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]C)(H){1|C<3>,1|O<2>,2|C<4>}	110.4270	0.000	1	110.4270	0.000	1	110.4270	0.000	1	110.4270	0.000	1	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:3:	4:4:3:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[5]-3:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5,6]C[5,5,6]2C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	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)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5,6]C)(H)	C[5](C[5,5,6]C[5,5,6]2C[6a])(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,4|H<1>,7|C<3>}	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)(C[5]C[6a]C[5])(C[6a]C[6a]2){4|H<1>,8|C<3>}	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5,6]C)(H){1|H<1>,2|C<4>,3|C<3>}	111.1380	0.000	1	111.1380	0.000	1	111.7230	0.684	2	111.7230	0.684	2	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:3:	4:4:3:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[5]-3:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5,6]C[5,5,6]2C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	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)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5,6]O)(H)	C[5](C[5,5,6]C[5,5,6]2C[6a])(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	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)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|O<1>,4|H<1>,6|C<3>}	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5,6]O)(H){1|H<1>,2|C<4>,3|C<3>}	112.3080	0.000	1	112.3080	0.000	1	111.7230	0.684	2	111.7230	0.684	2	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:3:	4:4:3:3:	3:3:3:	C[5,5,6]-4:C[5]-3:C-3:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2C[6a])(C[5]C[6a]C[5])(CCH)	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)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[5,5,6]C)(C[5]C[5,5,6]O)(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2C[6a])(C[5]C[6a]C[5])(CCH){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	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)(C[6a]C[6a]2)(C[5]C[5]C){2|H<1>,2|O<1>,6|C<3>}	C[5](C[5]C[5,5,6]C)(C[5]C[5,5,6]O)(C[6a]C[6a]2){2|C<4>,3|C<3>,3|H<1>}	112.5550	0.000	1	112.5550	0.000	1	112.5550	0.000	1	112.5550	0.000	1	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:3:	4:4:4:3:	3:2:4:	C[5,5,6]-4:C[5]-3:C-3:	C[5,5,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5]-3:O[5]-2:C-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]C)(CCO)	C[5,5,6](C[5,5,6]C[6,6]O[5]2)(C[5]C[5]HH)(C[6]O[6]HO)(C[5]C[5]C)	C[5](C[5]C[5,5,6]C)(O[5]C[5,5,6])(CH3)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]C)(CCO){1|C<3>,1|C<4>,3|H<1>,3|O<2>}	C[5,5,6](C[5,5,6]C[6,6]O[5]2)(C[5]C[5]HH)(C[6]O[6]HO)(C[5]C[5]C){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5,5,6]C)(O[5]C[5,5,6])(CH3){1|O<2>,3|C<4>}	108.6230	0.000	2	108.6230	0.000	2	108.6230	0.000	2	108.6230	0.000	2	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:4:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	S[5]-4:C[5]-3:H-1:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]S[5]H)(CC3)	C[5,5,6](C[5,5,6]C[5,5,6]S[5]H)(C[5,5,6]C[5,6]S[5,5]H)(C[5]C[5]C)(H)	C[5](S[5]C[5,5,6]OO)(C[5]C[5,5,6]C)(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]S[5]H)(CC3){1|C<3>,1|C<4>,1|S<4>,2|H<1>,2|O<1>}	C[5,5,6](C[5,5,6]C[5,5,6]S[5]H)(C[5,5,6]C[5,6]S[5,5]H)(C[5]C[5]C)(H){1|C<3>,1|C<4>,2|H<1>,4|O<1>}	C[5](S[5]C[5,5,6]OO)(C[5]C[5,5,6]C)(H){2|C<4>,2|H<1>}	115.7150	0.000	1	115.7150	0.000	1	115.7150	0.000	1	112.7605	17.458	2	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:4:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5]H)(CH3)	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[5,6]C[5]C[6]O)(C[5]C[5]C)(H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]C)(H)	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5]H)(CH3){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[5,6]C[5]C[6]O)(C[5]C[5]C)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]C)(H){1|H<1>,1|O<2>,2|C<4>}	109.8060	0.000	1	109.8060	0.000	1	109.8060	0.000	1	112.7605	17.458	2	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:4:	4:4:3:1:	4:3:4:	C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(CH3)	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]C)(C[5]C[5]C)(H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]C)(CCHH)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(CH3){1|C<3>,2|H<1>,4|C<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]C)(C[5]C[5]C)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]C)(CCHH){2|C<4>,2|H<1>}	112.0820	0.000	1	111.7450	0.087	3	111.7450	0.087	3	112.2760	1.030	8	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:4:	4:4:3:1:	4:3:4:	C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(CH3)	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]C)(C[5]C[5]C)(H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]C)(CCHH)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(CH3){1|C<3>,2|H<1>,4|C<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]C)(C[5]C[5]C)(H){1|C<3>,3|H<1>,4|C<4>}	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]C)(CCHH){2|C<4>,2|H<1>}	111.5765	0.063	2	111.7450	0.087	3	111.7450	0.087	3	112.2760	1.030	8	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:4:	4:4:3:1:	4:3:4:	C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:Si-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5]Si)(CH3)	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5,6]C[6]O[5]O)(C[5]C[5]C)(H)	C[5](C[5]C[5,5,6]HO)(C[5]C[5,5,6]C)(SiC3)	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5]Si)(CH3){1|C<3>,1|H<1>,2|C<4>,3|O<2>}	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5,6]C[6]O[5]O)(C[5]C[5]C)(H){1|Si<4>,1|C<3>,1|O<2>,6|H<1>}	C[5](C[5]C[5,5,6]HO)(C[5]C[5,5,6]C)(SiC3){1|C<3>,1|H<1>,2|C<4>}	110.5540	0.000	1	110.5540	0.000	1	110.5540	0.000	1	112.2760	1.030	8	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:4:	4:4:3:1:	4:3:4:	C[5,5,6]-4:C[5]-3:C-4:	P[3x5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5]-3:C-4:	C[5](C[5,5,6]C[5,5,6]P[3x5,6]H)(C[5]C[5,5,6]C)(CH3)	C[5,5,6](P[3x5,6]C[5,5,6]S[5,5]W)(C[5,5,6]P[3x5,6]C[5]H)(C[5]C[5]C)(H)	C[5](C[5,5,6]C[5,5,6]P[3x5,6]H)(C[5]C[5,5,6]C)(CH3)	C[5](C[5,5,6]C[5,5,6]P[3x5,6]H)(C[5]C[5,5,6]C)(CH3){1|C<3>,1|C<4>,1|P<4>,1|S<2>,1|W<6>,2|H<1>}	C[5,5,6](P[3x5,6]C[5,5,6]S[5,5]W)(C[5,5,6]P[3x5,6]C[5]H)(C[5]C[5]C)(H){1|C<3>,1|H<1>,1|W<6>,3|C<4>}	C[5](C[5,5,6]C[5,5,6]P[3x5,6]H)(C[5]C[5,5,6]C)(CH3){1|C<3>,1|C<4>,1|P<4>,1|S<2>,1|W<6>,2|H<1>}	113.1047	0.399	4	113.1047	0.159	4	113.1047	0.159	4	112.2760	1.030	8	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:4:	4:4:3:1:	4:4:3:	C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]2)(CH3)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]C)(H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5]O[5]H)(C[5]C[5,5,6]C)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]2)(CH3){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]C)(H){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	C[5](C[5]C[5,5,6]CH)(C[5]C[5]O[5]H)(C[5]C[5,5,6]C){1|C<3>,3|H<1>,4|C<4>}	112.2160	0.000	1	112.2160	0.000	1	112.2160	0.000	1	112.2160	0.000	1	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:4:	4:4:3:2:	3:3:1:	C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:O-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5,6]C[5,5,6]2O)(C[5]C[5]H)(CH3)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5,5,6]C[5,5]C[5,6]O)(C[5]C[5]C)(OH)	C[5](C[5]C[5,5,6]C)(C[5]C[5,5,6]O)(H)	C[5](C[5,5,6]C[5,5,6]2O)(C[5]C[5]H)(CH3){1|O<1>,2|O<2>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5,5,6]C[5,5]C[5,6]O)(C[5]C[5]C)(OH){1|O<1>,2|C<4>,5|H<1>}	C[5](C[5]C[5,5,6]C)(C[5]C[5,5,6]O)(H){2|C<4>,2|O<2>}	111.6370	0.000	1	111.6370	0.000	1	111.6370	0.000	1	111.6370	0.000	1	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:4:	4:4:3:4:	3:3:1:	C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5,6]C[5,5,6]2C)(C[5]C[5]H)(CCCH)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5,5,6]C)(C[5]C[5,5,6]O)(H)	C[5](C[5,5,6]C[5,5,6]2C)(C[5]C[5]H)(CCCH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]C)(CCHH){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[5](C[5]C[5,5,6]C)(C[5]C[5,5,6]O)(H){4|C<4>}	111.8980	0.000	1	111.8980	0.000	1	111.8980	0.000	1	111.8980	0.000	1	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:4:	4:4:3:4:	3:3:4:	C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C-4:	B[5]-3:C[5]-3:C-4:	C[5](C[5,5,6]C[5,5,6]2C)(C[5]B[5]C)(CCHH)	C[5,5,6](C[5,5,6]B[5,5]C[5,6]C)(C[5,5,6]C[5,5,6]B[5]C)(C[5]C[5]C)(CCHH)	C[5](B[5]C[5,5,6]C[6a])(C[5]C[5,5,6]C)(CCHH)	C[5](C[5,5,6]C[5,5,6]2C)(C[5]B[5]C)(CCHH){1|B<3>,2|C<3>,3|C<4>}	C[5,5,6](C[5,5,6]B[5,5]C[5,6]C)(C[5,5,6]C[5,5,6]B[5]C)(C[5]C[5]C)(CCHH){3|C<3>,3|C<4>}	C[5](B[5]C[5,5,6]C[6a])(C[5]C[5,5,6]C)(CCHH){2|C<3>,4|C<4>}	114.2230	0.000	1	114.2230	0.000	1	114.2230	0.000	1	113.1745	0.507	4	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:4:	4:4:3:4:	3:3:4:	C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5,6]C[5,5,6]2C)(C[5]C[5]C)(CCHH)	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)(C[5]C[5]C)(CCCH)	C[5](C[5]C[5,5,6]C)(C[5]C[5,5,6]O)(CH3)	C[5](C[5,5,6]C[5,5,6]2C)(C[5]C[5]C)(CCHH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	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)(C[5]C[5]C)(CCCH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5,5,6]C)(C[5]C[5,5,6]O)(CH3){1|H<1>,3|C<4>}	112.8380	0.232	2	112.8250	0.027	3	112.8250	0.027	3	113.1745	0.507	4	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:4:	4:4:3:4:	3:3:4:	C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5,6]C[5,5,6]2C)(C[5]C[5]C)(CCHH)	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)(C[5]C[5]C)(CCCH)	C[5](C[5]C[5,5,6]C)(C[5]C[5,5,6]O)(CH3)	C[5](C[5,5,6]C[5,5,6]2C)(C[5]C[5]C)(CCHH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	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)(C[5]C[5]C)(CCCH){1|C<3>,2|O<1>,3|C<4>}	C[5](C[5]C[5,5,6]C)(C[5]C[5,5,6]O)(CH3){1|H<1>,3|C<4>}	112.7990	0.000	1	112.8250	0.027	3	112.8250	0.027	3	113.1745	0.507	4	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:3:4:	4:4:3:4:	4:3:1:	C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C-4:	P[5]-4:C[5]-3:H-1:	C[5](C[5,5,6]C[5,5,6]2C)(C[5]P[5]H)(CH3)	C[5,5,6](C[5,5,6]C[5,5,6]P[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]C[5]C)(CH3)	C[5](P[5]C[5,5,6]C[6a]Pt)(C[5]C[5,5,6]C)(H)	C[5](C[5,5,6]C[5,5,6]2C)(C[5]P[5]H)(CH3){1|Pt<4>,1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]P[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]C[5]C)(CH3){1|Pt<4>,1|C<4>,2|H<1>,3|C<3>}	C[5](P[5]C[5,5,6]C[6a]Pt)(C[5]C[5,5,6]C)(H){1|H<1>,2|C<3>,3|C<4>}	117.7030	0.000	1	117.7030	0.000	1	117.7030	0.000	1	117.7030	0.000	1	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5,6]	C[5]	4:4:3:	4:4:3:1:	3:3:3:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]O[5]H)(C[5]C[6a]C[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)(C[5]C[5]2)(H)	C[5](C[5]C[5,5,6]C[5])(C[5]C[5,5,6]O)(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]O[5]H)(C[5]C[6a]C[5]){1|O<1>,2|C<3>,4|H<1>,5|C<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)(C[5]C[5]2)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	C[5](C[5]C[5,5,6]C[5])(C[5]C[5,5,6]O)(C[6a]C[6a]2){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	113.9970	0.000	1	113.9970	0.000	1	113.9970	0.000	1	113.9970	0.000	1	110.5980	6.599	116	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,5]	3:4:3:	3:4:2:2:	3:3:2:	C[5,5]-3:C[5,5]-4:C[5]-3:	C[5]-3:C[5]-4:S[5]-2:S[5]-2:	C[5,5]-3:C[5]-3:S[5]-2:	C[5](C[5,5]C[5,5]S[5])(C[5,5]C[5]S[5]2)(C[5]S[5]2)	C[5,5](C[5]C[5,5]C[5])(C[5]C[5,5]HH)(S[5]C[5])2	C[5,5](C[5,5]C[5]S[5])(C[5]C[5,5]C[5])(S[5]C[5])	C[5](C[5,5]C[5,5]S[5])(C[5,5]C[5]S[5]2)(C[5]S[5]2){1|S<2>,2|H<1>,5|C<3>}	C[5,5](C[5]C[5,5]C[5])(C[5]C[5,5]HH)(S[5]C[5])2{2|H<1>,4|S<2>}	C[5,5](C[5,5]C[5]S[5])(C[5]C[5,5]C[5])(S[5]C[5]){1|C<3>,2|H<1>,4|S<2>}	104.9890	0.000	1	104.9890	0.000	1	104.9890	0.000	1	104.9890	0.000	1	108.1880	4.599	6	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,5]	3:4:4:	4:3:3:3:	3:3:3:	C[5,5]-3:C[5,5]-4:C-4:	C[5]-4:N[5]-3:N[5]-3:C[5]-3:	N[5,5]-3:N[5]-3:C[5]-3:	C[5](C[5,5]N[5,5]N[5])(C[5,5]C[5]N[5]2)(CH3)	C[5,5](C[5]N[5,5]HH)(N[5]C[5,6a]C)2(C[5]C[5,5]C)	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]C)(C[5]C[5,5]C)	C[5](C[5,5]N[5,5]N[5])(C[5,5]C[5]N[5]2)(CH3){2|H<1>,3|C<4>,4|C<3>}	C[5,5](C[5]N[5,5]HH)(N[5]C[5,6a]C)2(C[5]C[5,5]C){1|N<3>,3|C<3>}	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]C)(C[5]C[5,5]C){2|C<3>,2|H<1>,2|N<3>}	107.2270	0.000	1	107.2270	0.000	1	107.2270	0.000	1	107.2270	0.000	1	108.1880	4.599	6	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,5]	4:3:1:	4:3:2:2:	3:3:4:	C[5,5]-4:C[5,5]-3:H-1:	C[5,6]-4:C[5]-3:N[5]-2:O[5]-2:	C[5,5]-3:C[5]-3:C[5]-4:	C[5](C[5,5]C[5,6]N[5]O[5])(C[5,5]C[5,5]C[5])(H)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,5]H)(N[5]C[5,5])(O[5]C[5,6])	C[5,5](C[5,5]N[5]2)(C[5]C[5,5]H)(C[5]C[5]HH)	C[5](C[5,5]C[5,6]N[5]O[5])(C[5,5]C[5,5]C[5])(H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,5]H)(N[5]C[5,5])(O[5]C[5,6]){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5,5]N[5]2)(C[5]C[5,5]H)(C[5]C[5]HH){1|C<4>,1|O<2>,1|S<4>,2|H<1>}	107.7000	0.000	1	107.7000	0.000	1	107.7000	0.000	1	107.7000	0.000	1	108.1880	4.599	6	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,5]	4:3:1:	4:3:3:1:	4:3:4:	C[5,5]-4:C[5,5]-3:H-1:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]C[5])(H)	C[5,5](C[5,5]C[5,5]C[5]O)(C[5]C[5,5]H)(C[5]C[5]O)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]H)(C[5]C[5]HH)	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,5]C[5]O)(C[5]C[5,5]H)(C[5]C[5]O)(H){2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]H)(C[5]C[5]HH){1|O<2>,2|C<3>,5|H<1>}	111.1830	0.000	1	111.1830	0.000	1	111.1830	0.000	1	111.1830	0.000	1	108.1880	4.599	6	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,5]	4:3:3:	4:3:3:1:	3:3:2:	C[5,5]-4:C[5,5]-3:C-3:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	N[5,5]-3:C[5]-3:S[5]-2:	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]N[5,5]S[5])(COO)	C[5,5](C[5,5]N[5,5]C[5]C)(C[5]C[5,5]C)(C[5]N[5]O)(H)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]C)(S[5]C[5])	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]N[5,5]S[5])(COO){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5,5](C[5,5]N[5,5]C[5]C)(C[5]C[5,5]C)(C[5]N[5]O)(H){1|O<1>,1|S<2>,2|C<3>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]C)(S[5]C[5]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	108.2200	0.000	1	108.2200	0.000	1	108.2200	0.000	1	108.2200	0.000	1	108.1880	4.599	6	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,5]	4:3:4:	4:3:3:1:	3:3:3:	C[5,5]-4:C[5,5]-3:C-4:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5,5]-3:C[5]-3:C[5]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]C[5])(CH3)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5,5]C[5])(C[5]C[5,5]C)(C[5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]C[5])(CH3){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,5](C[5,5]C[5,5]C[5])(C[5]C[5,5]C)(C[5]C[5]H){2|C<3>,4|H<1>}	109.8090	0.000	1	109.8090	0.000	1	109.8090	0.000	1	109.8090	0.000	1	108.1880	4.599	6	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6]	3:4:1:	3:4:2:2:	4:4:3:	C[5,6]-3:C[5,5]-4:H-1:	C[5]-3:C[5]-4:O[5]-2:O[5]-2:	C[3,5,6]-4:C[5,6]-4:C[5]-3:	C[5](C[5,6]C[3,5,6]C[5,6])(C[5,5]C[5]O[5]2)(H)	C[5,5](C[5]C[5,6]H)(C[5]C[5]HH)(O[5]C[5,6])(O[5]C[5])	C[5,6](C[3,5,6]C[3,5,6]C[3]C[5])(C[5,6]C[6]O[5]H)(C[5]C[5,5]H)	C[5](C[5,6]C[3,5,6]C[5,6])(C[5,5]C[5]O[5]2)(H){1|C<3>,3|H<1>,5|C<4>}	C[5,5](C[5]C[5,6]H)(C[5]C[5]HH)(O[5]C[5,6])(O[5]C[5]){2|H<1>,5|C<4>}	C[5,6](C[3,5,6]C[3,5,6]C[3]C[5])(C[5,6]C[6]O[5]H)(C[5]C[5,5]H){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	110.0670	0.120	2	110.0670	0.014	2	110.0670	0.014	2	110.0670	0.014	2	108.4872	3.550	25	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6]	3:4:1:	3:4:4:2:	4:3:4:	C[5,6]-3:C[5,5]-4:H-1:	C[5]-3:C[5]-4:C[5]-4:O[5]-2:	C[5,6]-4:C[5]-3:C[6]-4:	C[5](C[5,6]C[5,6]C[6])(C[5,5]C[5]2O[5])(H)	C[5,5](C[5]C[5,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(O[5]C[5,6])	C[5,6](C[5,6]C[5]C[6]O[5])(C[5]C[5,5]H)(C[6]C[6]HH)	C[5](C[5,6]C[5,6]C[6])(C[5,5]C[5]2O[5])(H){1|C<3>,5|C<4>,5|H<1>}	C[5,5](C[5]C[5,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(O[5]C[5,6]){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]O[5])(C[5]C[5,5]H)(C[6]C[6]HH){2|C<3>,3|C<4>,4|H<1>}	109.4490	0.000	1	109.4490	0.000	1	109.4490	0.000	1	109.4490	0.000	1	108.4872	3.550	25	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6]	3:4:1:	4:3:2:1:	4:4:3:	C[5,6]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6,6])(C[5,5]C[5,5]O[5]H)(H)	C[5,5](C[5,5]C[5,6]C[5]O)(C[5]C[5,6]H)(O[5]C[5,5])(H)	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]H)	C[5](C[5,6]C[5,6]C[6,6])(C[5,5]C[5,5]O[5]H)(H){1|H<1>,1|O<2>,6|C<4>}	C[5,5](C[5,5]C[5,6]C[5]O)(C[5]C[5,6]H)(O[5]C[5,5])(H){1|H<1>,1|O<2>,5|C<4>}	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]H){3|O<2>,4|C<4>,5|H<1>}	110.5700	0.000	1	110.5700	0.000	1	110.5700	0.000	1	110.5700	0.000	1	108.4872	3.550	25	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6]	3:4:4:	3:3:2:3:	4:3:3:	C[5,6]-3:C[5,5]-4:C-4:	C[5]-3:C[5]-3:N[5]-2:C[5]-3:	C[6]-4:C[5,6]-3:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(C[5,5]C[5]2N[5])(CH3)	C[5,5](C[5]C[6a]N[5])(C[5]C[5,6]C)(N[5]C[5,6])(C[5]N[5]O)	C[5,6](C[6]C[6a]C[6]O)(C[5,6]N[5]S[6])(C[5]C[5,5]C)	C[5](C[5,6]C[5,6]C[6])(C[5,5]C[5]2N[5])(CH3){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<3>}	C[5,5](C[5]C[6a]N[5])(C[5]C[5,6]C)(N[5]C[5,6])(C[5]N[5]O){1|C<4>,1|S<2>,3|C<3>}	C[5,6](C[6]C[6a]C[6]O)(C[5,6]N[5]S[6])(C[5]C[5,5]C){2|H<1>,5|C<3>}	106.2133	0.287	3	106.2133	0.083	3	106.2133	0.083	3	106.2133	0.083	3	108.4872	3.550	25	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6]	4:3:1:	3:3:2:3:	4:3:4:	C[5,5]-4:C[5,6]-3:H-1:	C[5,6a]-3:C[5]-3:O[5]-2:C[5]-3:	C[5,6]-4:C[5]-3:C[6]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5,6]C[6])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]H)(O[5]C[5,6])(C[5]N[5]O)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5,5]H)(C[6]O[6]HH)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5,6]C[6])(H){1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]H)(O[5]C[5,6])(C[5]N[5]O){2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5,5]H)(C[6]O[6]HH){4|C<3>}	109.6500	0.140	2	109.6500	0.020	2	109.6500	0.020	2	109.6500	0.020	2	108.4872	3.550	25	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6]	4:3:1:	3:3:4:3:	3:3:3:	C[5,5]-4:C[5,6]-3:H-1:	C[5,6a]-3:C[5a]-3:C[5,5]-4:C[5]-3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,5]C[5,6a]C[5,5]C[5a])(C[5,6]N[5,6]C[6])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5,5]N[5,6]N[5]H)(C[5]C[5,6]H)	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]H)(C[6]N[6]O)	C[5](C[5,5]C[5,6a]C[5,5]C[5a])(C[5,6]N[5,6]C[6])(H){1|H<1>,1|O<1>,2|N<3>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5,5]N[5,6]N[5]H)(C[5]C[5,6]H){1|N<3>,3|H<1>,6|C<3>}	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]H)(C[6]N[6]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	110.7970	0.000	1	110.7970	0.000	1	110.7970	0.000	1	110.7970	0.000	1	108.4872	3.550	25	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6]	4:3:1:	3:4:2:3:	3:3:4:	C[5,5]-4:C[5,6]-3:O-1:	C[5]-3:C[5]-4:O[5]-2:N[5]-3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5](C[5,5]C[5]N[5]O[5])(C[5,6]C[5,6]C[6])(O)	C[5,5](C[5]C[5,6]O)(C[5]C[5]HH)(O[5]C[5,6])(N[5]C[5]C)	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,5]O)(C[6]C[6]HH)	C[5](C[5,5]C[5]N[5]O[5])(C[5,6]C[5,6]C[6])(O){1|C<3>,4|C<4>,4|H<1>}	C[5,5](C[5]C[5,6]O)(C[5]C[5]HH)(O[5]C[5,6])(N[5]C[5]C){2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,5]O)(C[6]C[6]HH){1|N<3>,2|C<4>,4|H<1>}	105.4870	0.000	1	105.4870	0.000	1	105.4870	0.000	1	105.4870	0.000	1	108.4872	3.550	25	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6]	4:3:1:	4:3:3:1:	3:3:3:	C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5]-3:P[5]-3:H-1:	C[5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,5]C[5,5]P[5]H)(C[5,6]C[5,6]C[6])(H)	C[5,5](C[5,5]C[5,6]P[5]H)(C[5]C[5,6]H)(P[5]P[5]H)(H)	C[5,6](C[5,6]C[5,5]C[6])(C[5]C[5,5]H)(C[6]C[6]H)	C[5](C[5,5]C[5,5]P[5]H)(C[5,6]C[5,6]C[6])(H){2|C<3>,2|P<3>,3|H<1>}	C[5,5](C[5,5]C[5,6]P[5]H)(C[5]C[5,6]H)(P[5]P[5]H)(H){4|C<3>}	C[5,6](C[5,6]C[5,5]C[6])(C[5]C[5,5]H)(C[6]C[6]H){1|C<2>,2|P<3>,4|H<1>}	105.9570	0.000	1	105.9570	0.000	1	105.9570	0.000	1	105.9570	0.000	1	108.4872	3.550	25	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6]	4:3:1:	4:3:3:2:	4:3:3:	C[5,5]-4:C[5,6]-3:O-1:	C[5,5]-4:C[5]-3:C[5]-3:O-2:	C[5,6]-4:C[5]-3:C[6]-3:	C[5](C[5,5]C[5,5]C[5]O)(C[5,6]C[5,6]C[6])(O)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]O)(C[5]C[5]O)(OH)	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5,5]O)(C[6]C[6]O)	C[5](C[5,5]C[5,5]C[5]O)(C[5,6]C[5,6]C[6])(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]O)(C[5]C[5]O)(OH){2|C<3>,3|C<4>}	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5,5]O)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	106.4450	0.000	1	106.4450	0.000	1	106.4450	0.000	1	106.4450	0.000	1	108.4872	3.550	25	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6]	4:3:1:	4:3:3:3:	4:3:4:	C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:N[5,5]-3:C[5]-3:C-3:	C[5,6]-4:C[5]-3:C[6]-4:	C[5](C[5,5]C[5,5]N[5,5]C)(C[5,6]C[5,6]C[6])(H)	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,6]C[5])(C[5]C[5,6]H)(COO)	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]H)(C[6]O[6]HH)	C[5](C[5,5]C[5,5]N[5,5]C)(C[5,6]C[5,6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,6]C[5])(C[5]C[5,6]H)(COO){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]H)(C[6]O[6]HH){2|C<4>,3|C<3>}	108.2280	0.000	1	108.2280	0.000	1	108.2280	0.000	1	108.2280	0.000	1	108.4872	3.550	25	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6]	4:3:1:	4:3:4:1:	3:3:4:	C[5,5]-4:C[5,6]-3:O-1:	C[3x5]-4:C[5]-3:C[5]-4:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[5](C[5,5]C[3x5]C[5]H)(C[5,6]C[5,6]C[6])(O)	C[5,5](C[3x5]C[5,5]C[5,6]C[5])(C[5]C[5,6]O)(C[5]O[5]HH)(H)	C[5,6](C[5,6]C[3x5]C[6])(C[5]C[5,5]O)(C[6]C[6]HH)	C[5](C[5,5]C[3x5]C[5]H)(C[5,6]C[5,6]C[6])(O){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,5](C[3x5]C[5,5]C[5,6]C[5])(C[5]C[5,6]O)(C[5]O[5]HH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[3x5]C[6])(C[5]C[5,5]O)(C[6]C[6]HH){1|H<1>,1|O<1>,6|C<4>}	108.1010	0.000	1	108.1010	0.000	1	108.1010	0.000	1	108.1010	0.000	1	108.4872	3.550	25	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6]	4:3:1:	4:4:3:1:	3:3:2:	C[5,5]-4:C[5,6]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,6]-3:C[5]-3:O[6]-2:	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]O[6])(O)	C[5,5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5,5]HH)(C[5]C[5,6]O)(H)	C[5,6](C[5,6]C[5,5]C[6])(C[5]C[5,5]O)(O[6]C[6])	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]O[6])(O){2|H<1>,5|C<4>}	C[5,5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5,5]HH)(C[5]C[5,6]O)(H){1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,5]C[6])(C[5]C[5,5]O)(O[6]C[6]){3|H<1>,6|C<4>}	107.3140	0.157	2	107.3140	0.025	2	107.3140	0.025	2	107.3140	0.025	2	108.4872	3.550	25	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6]	4:3:3:	3:4:3:1:	4:3:3:	C[5,5]-4:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[5]-3:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5]H)(C[5]C[5,6]C[6a])(H)	C[5,6](C[5,6]C[5,5]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,5]C[6a])	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2){1|N<3>,1|O<2>,3|H<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5]H)(C[5]C[5,6]C[6a])(H){1|H<1>,1|O<2>,1|S<4>,6|C<3>}	C[5,6](C[5,6]C[5,5]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,5]C[6a]){1|C<4>,1|N<3>,3|H<1>,7|C<3>}	111.2185	0.538	2	111.2185	0.290	2	111.2185	0.290	2	111.2185	0.290	2	108.4872	3.550	25	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6]	4:3:3:	3:4:3:2:	3:3:4:	C[5,5]-4:C[5,6]-3:C-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	N[5,6]-3:C[5]-3:C[6]-4:	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6]N[5,6]C[6])(COO)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5,6]O)(C[5]C[5,6]C)(OH)	C[5,6](N[5,6]C[6,6a]C[5,5])(C[5]C[5,5]C)(C[6]S[6]HH)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6]N[5,6]C[6])(COO){1|O<2>,1|S<2>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5,6]O)(C[5]C[5,6]C)(OH){1|C<4>,1|H<1>,4|C<3>}	C[5,6](N[5,6]C[6,6a]C[5,5])(C[5]C[5,5]C)(C[6]S[6]HH){2|O<2>,4|C<3>}	110.1280	0.000	1	110.1280	0.000	1	110.1280	0.000	1	110.1280	0.000	1	108.4872	3.550	25	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6]	4:3:3:	4:2:3:1:	4:3:3:	C[5,5]-4:C[5,6]-3:C-3:	C[5,5,6,6]-4:O[5]-2:C[5]-3:H-1:	C[5,3x6]-4:C[5]-3:C[6]-3:	C[5](C[5,5]C[5,5,6,6]O[5]H)(C[5,6]C[5,3x6]C[6])(CCC)	C[5,5](C[5,5,6,6]C[5,3x6]2H)(O[5]C[5,6,6])(C[5]C[5,6]C)(H)	C[5,6](C[5,3x6]C[5,5,6,6]C[4x6]H)(C[5]C[5,5]C)(C[6]C[6]C)	C[5](C[5,5]C[5,5,6,6]O[5]H)(C[5,6]C[5,3x6]C[6])(CCC){2|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5,5,6,6]C[5,3x6]2H)(O[5]C[5,6,6])(C[5]C[5,6]C)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,3x6]C[5,5,6,6]C[4x6]H)(C[5]C[5,5]C)(C[6]C[6]C){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	108.8040	0.303	2	108.8040	0.092	2	108.9783	0.137	3	108.9783	0.137	3	108.4872	3.550	25	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6]	4:3:3:	4:2:3:1:	4:3:3:	C[5,5]-4:C[5,6]-3:C-3:	C[5,5,6,6]-4:O[5]-2:C[5]-3:H-1:	C[5,3x6]-4:C[5]-3:C[6]-3:	C[5](C[5,5]C[5,5,6,6]O[5]H)(C[5,6]C[5,3x6]C[6])(CCC)	C[5,5](C[5,5,6,6]C[5,3x6]2H)(O[5]C[5,6,6])(C[5]C[5,6]C)(H)	C[5,6](C[5,3x6]C[5,5,6,6]C[4x6]O)(C[5]C[5,5]C)(C[6]C[6]C)	C[5](C[5,5]C[5,5,6,6]O[5]H)(C[5,6]C[5,3x6]C[6])(CCC){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,5](C[5,5,6,6]C[5,3x6]2H)(O[5]C[5,6,6])(C[5]C[5,6]C)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,3x6]C[5,5,6,6]C[4x6]O)(C[5]C[5,5]C)(C[6]C[6]C){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	109.3270	0.000	1	109.3270	0.000	1	108.9783	0.137	3	108.9783	0.137	3	108.4872	3.550	25	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6]	4:3:3:	4:3:3:2:	3:3:3:	C[5,5]-4:C[5,6]-3:C-3:	C[3,5]-4:N[5,5]-3:C[5]-3:O-2:	C[5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,5]C[3,5]N[5,5]O)(C[5,6]C[5,6]C[6])(CHH)	C[5,5](C[3,5]C[3,5]N[3]H)(N[5,5]C[5,6]C[5])(C[5]C[5,6]C)(OC)	C[5,6](C[5,6]N[5,5]C[6])(C[5]C[5,5]C)(C[6]C[6]O)	C[5](C[5,5]C[3,5]N[5,5]O)(C[5,6]C[5,6]C[6])(CHH){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5,5](C[3,5]C[3,5]N[3]H)(N[5,5]C[5,6]C[5])(C[5]C[5,6]C)(OC){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]N[5,5]C[6])(C[5]C[5,5]C)(C[6]C[6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	105.5130	0.000	1	105.5130	0.000	1	105.5130	0.000	1	105.5130	0.000	1	108.4872	3.550	25	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5,6]	4:3:3:	4:3:3:2:	3:3:4:	C[5,5]-4:C[5,6]-3:C-3:	C[5,5]-4:C[5]-3:C[5]-3:O-2:	N[5,6]-3:C[5]-3:C[6]-4:	C[5](C[5,5]C[5,5]C[5]O)(C[5,6]N[5,6]C[6])(COO)	C[5,5](C[5,5]C[5,6a]N[5,6]O)(C[5]C[5,6a]O)(C[5]C[5,6]C)(OH)	C[5,6](N[5,6]C[6,6a]C[5,5])(C[5]C[5,5]C)(C[6]S[6]HH)	C[5](C[5,5]C[5,5]C[5]O)(C[5,6]N[5,6]C[6])(COO){1|O<1>,1|O<2>,1|S<2>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]N[5,6]O)(C[5]C[5,6a]O)(C[5]C[5,6]C)(OH){1|C<4>,3|C<3>}	C[5,6](N[5,6]C[6,6a]C[5,5])(C[5]C[5,5]C)(C[6]S[6]HH){2|O<2>,4|C<3>}	109.4320	0.000	1	109.4320	0.000	1	109.4320	0.000	1	109.4320	0.000	1	108.4872	3.550	25	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	3:4:1:	3:3:3:3:	3:3:3:	C[5]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[5a])(C[5,5]C[5,6a]3)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5,5]H)	C[5](C[5]C[5,6a]C[5a])(C[5,5]C[5,6a]3)(H){8|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5]C[5]H){3|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5,5]H){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	112.7270	0.000	1	112.7270	0.000	1	112.7270	0.000	1	112.7270	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	3:4:1:	4:4:4:3:	3:3:3:	C[5]-3:C[5,5]-4:O-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(O)	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]N[5]HH)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(O){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]N[5]HH)(C[5]C[5]O){1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	108.4360	0.000	1	108.4360	0.000	1	108.4360	0.000	1	108.4360	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	3:4:2:	4:3:3:3:	3:3:2:	C[5]-3:C[5,5]-4:Se-2:	C[5]-4:C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:O[5]-2:	C[5](C[5]C[6a]O[5])(C[5,5]C[5]3)(SeC[6a])	C[5,5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]C[5]Se)(C[5]O[5]O)	C[5](C[5]C[5,5]Se)(C[6a]C[6a]2)(O[5]C[5])	C[5](C[5]C[6a]O[5])(C[5,5]C[5]3)(SeC[6a]){2|H<1>,2|O<1>,4|C<3>}	C[5,5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]C[5]Se)(C[5]O[5]O){3|C<3>}	C[5](C[5]C[5,5]Se)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	107.2080	0.000	1	107.2080	0.000	1	107.2080	0.000	1	107.2080	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	3:4:3:	3:3:3:3:	3:3:3:	C[5]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2)	C[5](C[5]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]2){10|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5]C[6a]C[5]){3|H<1>,9|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	110.0070	0.748	3	110.0070	0.560	3	110.1833	0.498	4	109.3385	0.748	10	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	3:4:3:	3:3:3:3:	3:3:3:	C[5]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]2)	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2)	C[5](C[5]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]2){10|C<3>,2|H<1>}	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5]){10|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	110.7120	0.000	1	110.7120	0.000	1	110.1833	0.498	4	109.3385	0.748	10	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	3:4:3:	3:3:3:3:	3:3:3:	C[5]-3:C[5,5]-4:C[6a]-3:	C[5]-3:C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)	C[5,5](C[5]C[6a]C[5])2(C[5]N[5]C)(C[5]N[5]O)	C[5](C[5]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5,5](C[5]C[6a]C[5])2(C[5]N[5]C)(C[5]N[5]O){7|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,9|C<3>}	108.5770	0.448	2	108.7753	0.096	6	108.7753	0.096	6	109.3385	0.748	10	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	3:4:3:	3:3:3:3:	3:3:3:	C[5]-3:C[5,5]-4:C[6a]-3:	C[5]-3:C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)	C[5,5](C[5]C[6a]C[5])2(C[5]N[5]C)(C[5]N[5]O)	C[5](C[5]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2){1|O<1>,2|H<1>,2|N<3>,7|C<3>}	C[5,5](C[5]C[6a]C[5])2(C[5]N[5]C)(C[5]N[5]O){1|C<4>,7|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,9|C<3>}	108.8745	0.232	4	108.7753	0.096	6	108.7753	0.096	6	109.3385	0.748	10	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	3:4:3:	4:3:3:3:	3:3:2:	C[5]-3:C[5,5]-4:C-3:	C[5]-4:C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](C[5]C[6a]N[5])(C[5,5]C[5]3)(CC[6a]H)	C[5,5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(C[5]C[5]C)(C[5]O[5]O)	C[5](C[5]C[5,5]C)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5]C[6a]N[5])(C[5,5]C[5]3)(CC[6a]H){1|H<1>,1|N<2>,1|O<1>,1|O<2>,4|C<3>}	C[5,5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(C[5]C[5]C)(C[5]O[5]O){5|C<3>}	C[5](C[5]C[5,5]C)(C[6a]C[6a]2)(N[5]C[5]){3|H<1>,5|C<3>}	104.8810	0.000	1	104.8810	0.000	1	104.8810	0.000	1	104.8810	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	3:4:4:	3:4:4:3:	3:3:3:	C[5]-3:C[5,5]-4:C[3]-4:	C[5]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(C[3]C[3]2H)	C[5,5](C[5]C[3]C[5])(C[5]C[5]HH)2(C[5]N[5]C)	C[5](C[5]C[5,5]C[3])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(C[3]C[3]2H){1|N<2>,1|O<1>,2|C<3>,2|C<4>,8|H<1>}	C[5,5](C[5]C[3]C[5])(C[5]C[5]HH)2(C[5]N[5]C){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5,5]C[3])(C[6a]C[6a]2)(C[5]C[5]O){3|C<3>,3|C<4>,5|H<1>}	113.1140	0.000	1	113.1140	0.000	1	113.1140	0.000	1	113.1140	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	3:2:2:3:	3:3:1:	C[5,5]-4:C[5]-3:O-1:	C[5,6a]-3:S[5]-2:S[5]-2:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5,5]C[5,6a]S[5]2)(C[5]C[5,6a]O)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a])2(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(O)	C[5](C[5,5]C[5,6a]S[5]2)(C[5]C[5,6a]O)(O){4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a])2(C[5]C[5]O){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(O){1|H<1>,2|C<3>,2|S<2>}	108.0120	0.000	1	108.0120	0.000	1	108.0120	0.000	1	108.0120	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	3:2:4:3:	3:3:4:	C[5,5]-4:C[5]-3:O-1:	C[5]-3:O[5]-2:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(O)	C[5,5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]HO)(C[5]C[5]O)	C[5](C[5]C[5,5]O)(C[5]C[5]C)(CH3)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]HO)(C[5]C[5]O){2|C<3>,2|C<4>}	C[5](C[5]C[5,5]O)(C[5]C[5]C)(CH3){1|C<3>,1|H<1>,2|O<2>}	106.4760	0.000	1	106.4760	0.000	1	106.4760	0.000	1	106.4760	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	3:3:2:2:	4:3:1:	C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:O[5]-2:O[5]-2:	C[5]-4:C[5]-3:Br-1:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]Br)(H)	C[5,5](C[5]C[5]H)2(O[5]C[5])2	C[5](C[5]C[6a]2O[5])(C[5]C[5,5]H)(Br)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]Br)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,5](C[5]C[5]H)2(O[5]C[5])2{2|Br<1>,4|C<3>}	C[5](C[5]C[6a]2O[5])(C[5]C[5,5]H)(Br){1|O<2>,5|C<3>}	108.4645	0.452	2	108.4645	0.204	2	108.4645	0.204	2	108.4645	0.204	2	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	3:3:3:1:	3:3:1:	C[5,5]-4:C[5]-3:O-1:	N[3x5]-3:C[5]-3:C[5]-3:H-1:	C[5,5]-3:C[5]-3:H-1:	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]H)(O)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Br)(C[5]C[5]O)(H)	C[5](C[5,5]N[3x5]C[5])(C[5]C[5,5]O)(H)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]H)(O){1|Br<1>,1|C<3>,2|C<4>}	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Br)(C[5]C[5]O)(H){2|C<4>,3|H<1>}	C[5](C[5,5]N[3x5]C[5])(C[5]C[5,5]O)(H){1|C<3>,2|C<4>,3|H<1>}	105.8300	0.000	1	105.8300	0.000	1	105.8300	0.000	1	105.8300	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	3:3:3:1:	4:3:1:	C[5,5]-4:C[5]-3:Br-1:	N[3x5]-3:C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]H)(Br)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Br)(C[5]C[5]O)(H)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]Br)(H)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]H)(Br){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Br)(C[5]C[5]O)(H){2|C<4>,3|H<1>}	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]Br)(H){1|C<4>,2|C<3>,3|H<1>}	113.6080	0.000	1	113.6080	0.000	1	113.6080	0.000	1	111.0969	0.447	31	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	3:3:3:1:	4:3:1:	C[5,5]-4:C[5]-3:Cl-1:	N[3x5]-3:C[5]-3:C[5]-3:Br-1:	C[5,5]-4:C[5]-3:Cl-1:	C[5](C[5,5]N[3x5]C[5]Br)(C[5]C[5,5]Cl)(Cl)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Cl)2(Br)	C[5](C[5,5]N[3x5]C[5]Br)(C[5]C[5,5]Cl)(Cl)	C[5](C[5,5]N[3x5]C[5]Br)(C[5]C[5,5]Cl)(Cl){1|Br<1>,1|Cl<1>,1|C<4>,2|C<3>}	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Cl)2(Br){2|Br<1>,2|Cl<1>,2|C<3>}	C[5](C[5,5]N[3x5]C[5]Br)(C[5]C[5,5]Cl)(Cl){1|Br<1>,1|Cl<1>,1|C<4>,2|C<3>}	110.8600	0.568	12	110.8600	0.323	12	110.8600	0.323	12	111.0969	0.447	31	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	3:3:3:1:	4:3:1:	C[5,5]-4:C[5]-3:Cl-1:	N[3x5]-3:C[5]-3:C[5]-3:Cl-1:	C[5,5]-4:C[5]-3:Cl-1:	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)	C[5](C[5,5]N[3x5]C[5]Cl)(C[5]C[5,5]Cl)(Cl)	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>}	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Cl)2(Cl){4|Cl<1>,2|C<3>}	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>}	110.9472	0.229	12	110.9472	0.053	12	110.9472	0.053	12	111.0969	0.447	31	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	3:3:3:1:	4:3:1:	C[5,5]-4:C[5]-3:Cl-1:	N[3x5]-3:C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:Cl-1:	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]Cl)(Cl)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Cl)2(H)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]Cl)(Cl)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]Cl)(Cl){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Cl)2(H){2|Cl<1>,2|C<3>,2|H<1>}	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]Cl)(Cl){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	111.4517	0.507	6	111.4517	0.257	6	111.4517	0.257	6	111.0969	0.447	31	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	3:3:3:2:	3:3:1:	C[5,5]-4:C[5]-3:O-1:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5])	C[5](C[5]C[5,5]O)(C[5]O[5]C)(H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]H)(O){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]O)(C[5]O[5]C)(H){2|C<3>}	104.8740	0.000	1	104.8740	0.000	1	105.1763	0.072	3	105.3477	0.166	4	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	3:3:3:2:	3:3:1:	C[5,5]-4:C[5]-3:O-1:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5])	C[5](C[5]C[5,5]O)(C[5]O[5]O)(H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]H)(O){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]O)(C[5]O[5]O)(H){2|C<3>}	105.3275	0.083	2	105.3275	0.007	2	105.1763	0.072	3	105.3477	0.166	4	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	3:3:3:2:	3:3:1:	C[5,5]-4:C[5]-3:O-1:	C[5,6a]-3:N[5,5]-3:C[5]-3:O-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]N[5,5]O)(C[5]C[5]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]O)(OH)	C[5](C[5]N[5,5]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]N[5,5]O)(C[5]C[5]H)(O){4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]O)(OH){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]N[5,5]C[6a])(C[5]C[5,5]O)(H){1|O<2>,4|C<3>}	105.8620	0.000	1	105.8620	0.000	1	105.8620	0.000	1	105.3477	0.166	4	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	3:3:3:2:	3:3:3:	C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:C-3:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]C)(H)	C[5,5](C[5]C[6a]N[5])(C[5]C[5]H)(C[5]N[5]O)(N[5]C[5])	C[5](C[5]C[5,5]H)(C[5]N[5]S)(CC[6a]O)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]C)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|S<2>}	C[5,5](C[5]C[6a]N[5])(C[5]C[5]H)(C[5]N[5]O)(N[5]C[5]){1|S<2>,4|C<3>}	C[5](C[5]C[5,5]H)(C[5]N[5]S)(CC[6a]O){2|C<3>}	108.2170	0.000	1	108.2170	0.000	1	108.2170	0.000	1	108.8423	10.046	3	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	3:3:3:2:	3:3:3:	C[5,5]-4:C[5]-3:I-1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]2O[5])(C[5]C[5,6a]C[6a])(I)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]I)(O[5]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]I)(C[6a]C[6a]2)	C[5](C[5,5]C[5,6a]2O[5])(C[5]C[5,6a]C[6a])(I){7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]I)(O[5]C[5]){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]I)(C[6a]C[6a]2){1|O<2>,3|H<1>,5|C<3>}	112.2780	0.000	1	112.2780	0.000	1	112.2780	0.000	1	108.8423	10.046	3	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	3:3:3:2:	3:3:3:	C[5,5]-4:C[5]-3:O-1:	C[5,6a]-3:C[5]-3:N[5]-3:O[5]-2:	C[5]-3:C[5]-3:C-3:	C[5](C[5,5]C[5,6a]N[5]O[5])(C[5]C[5]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(N[5]C[5]C)(O[5]C[5])	C[5](C[5]C[5,5]O)(C[5]N[5]C)(CC[6a]O)	C[5](C[5,5]C[5,6a]N[5]O[5])(C[5]C[5]C)(O){2|C<4>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(N[5]C[5]C)(O[5]C[5]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[5,5]O)(C[5]N[5]C)(CC[6a]O){1|C<3>,1|C<4>,1|O<2>}	106.0320	0.000	1	106.0320	0.000	1	106.0320	0.000	1	108.8423	10.046	3	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	3:3:3:2:	3:4:1:	C[5,5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5]-3:C[5]-4:H-1:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(C[5]N[5]O)(O[5]C[5])	C[5](C[5]C[5,5]H)(C[5]O[5]HO)(H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]H)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5,5]H)(C[5]O[5]HO)(H){2|C<3>}	109.9210	0.000	1	109.9210	0.000	1	109.9210	0.000	1	109.8195	0.021	2	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	3:3:3:2:	3:4:1:	C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[5]-3:O[5]-2:	C[5]-3:C[5]-4:H-1:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(H)	C[5,5](C[5]C[5]H)(C[5]N[5]C)(C[5]N[5]O)(O[5]C[5])	C[5](C[5]C[5,5]H)(C[5]O[5]HH)(H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[5,5](C[5]C[5]H)(C[5]N[5]C)(C[5]N[5]O)(O[5]C[5]){4|H<1>}	C[5](C[5]C[5,5]H)(C[5]O[5]HH)(H){2|C<3>}	109.7180	0.000	1	109.7180	0.000	1	109.7180	0.000	1	109.8195	0.021	2	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	3:3:3:2:	4:3:1:	C[5,5]-4:C[5]-3:Br-1:	N[3x5]-3:C[5]-3:C[5]-3:O-2:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5,5]N[3x5]C[5]O)(C[5]C[5,5]H)(Br)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Br)2(OH)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]Br)(H)	C[5](C[5,5]N[3x5]C[5]O)(C[5]C[5,5]H)(Br){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Br)2(OH){2|C<4>,4|H<1>}	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]Br)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	113.2233	0.504	4	113.2233	0.254	4	113.2233	0.254	4	113.2233	0.254	4	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	3:3:3:3:	3:3:1:	C[5,5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]H)(H)	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(C[5]O[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]H)(H)	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]H)(H){1|O<1>,1|O<2>,4|C<3>}	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(C[5]O[5]O){2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]H)(H){1|H<1>,4|C<3>}	110.8895	0.275	2	110.8895	0.076	2	110.8895	0.076	2	113.1762	5.070	6	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	3:3:3:3:	3:3:1:	C[5,5]-4:C[5]-3:H-1:	C[5,6a]-3:N[5]-3:C[5]-3:C[5]-3:	Ga[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]Ga[5]H)(H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[6a]Ga[5])(C[5]C[5,6a]N)(C[5]C[5]H)	C[5](Ga[5]Ga[5]N[5])(C[5]C[5,5]H)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]Ga[5]H)(H){1|Ga<3>,1|N<2>,4|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[6a]Ga[5])(C[5]C[5,6a]N)(C[5]C[5]H){1|Ga<3>,2|H<1>,5|C<3>}	C[5](Ga[5]Ga[5]N[5])(C[5]C[5,5]H)(H){1|N<3>,4|C<3>}	115.8495	0.059	2	115.8495	0.003	2	115.8495	0.003	2	113.1762	5.070	6	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	3:3:3:3:	3:3:1:	C[5,5]-4:C[5]-3:I-1:	C[5,5a]-3:C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,5a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,5a]C[5,6a]2)(C[5]C[5,5a]H)(I)	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])2(C[5]C[5]I)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5,5]I)(H)	C[5](C[5,5]C[5,5a]C[5,6a]2)(C[5]C[5,5a]H)(I){1|N<3>,5|C<3>}	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])2(C[5]C[5]I){1|N<3>,3|H<1>,6|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5,5]I)(H){1|C<4>,4|C<3>}	112.7895	0.472	2	112.7895	0.222	2	112.7895	0.222	2	113.1762	5.070	6	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	3:3:3:3:	3:3:3:	C[5,5]-4:C[5]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,5a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5a]C[5,6a]2)(C[5]C[5,5a]C[6a])(H)	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])2(C[5]C[5]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5,5]H)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5a]C[5,6a]2)(C[5]C[5,5a]C[6a])(H){1|N<3>,7|C<3>}	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])2(C[5]C[5]H){1|C<4>,2|H<1>,7|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5,5]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,6|C<3>}	112.8790	0.000	1	112.8790	0.000	1	112.8790	0.000	1	111.5892	4.358	12	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	3:3:3:3:	3:3:3:	C[5,5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]C[6a])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]H)(C[6a]C[6a]2)	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]C[6a])(H){1|N<3>,1|O<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]H)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]H)(C[6a]C[6a]2){3|H<1>,6|C<3>}	112.6140	0.000	1	112.0027	0.181	4	112.0027	0.181	4	111.5892	4.358	12	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	3:3:3:3:	3:3:3:	C[5,5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]C[6a])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]H)(C[6a]C[6a]2)	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]C[6a])(H){1|N<3>,1|O<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]H)(C[5]N[5]O){3|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]H)(C[6a]C[6a]2){3|H<1>,6|C<3>}	111.7990	0.149	3	112.0027	0.181	4	112.0027	0.181	4	111.5892	4.358	12	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	3:3:3:3:	3:3:3:	C[5,5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C[6a])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]H)(N[5]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]H)(C[6a]C[6a]2)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C[6a])(H){1|H<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]H)(N[5]C[5]H){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]H)(C[6a]C[6a]2){1|N<3>,3|H<1>,5|C<3>}	112.0030	0.000	1	112.0030	0.000	1	112.0030	0.000	1	111.5892	4.358	12	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	3:3:3:3:	3:3:3:	C[5,5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:N[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]C[6a])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[5]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]H)(C[6a]C[6a]2)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]C[6a])(H){1|C<4>,1|O<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[5]C[5]H){1|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]H)(C[6a]C[6a]2){1|N<3>,3|H<1>,5|C<3>}	111.9410	0.000	1	111.9410	0.000	1	111.9410	0.000	1	111.5892	4.358	12	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	3:3:3:3:	3:3:3:	C[5,5]-4:C[5]-3:I-1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C[6a])(I)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]I)(N[5]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]I)(C[6a]C[6a]2)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C[6a])(I){1|H<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]I)(N[5]C[5]H){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]I)(C[6a]C[6a]2){1|N<3>,3|H<1>,5|C<3>}	112.7830	1.406	2	112.7830	1.976	2	112.7713	0.988	3	111.5892	4.358	12	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	3:3:3:3:	3:3:3:	C[5,5]-4:C[5]-3:I-1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C[6a])(I)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]I)(N[5]S[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]I)(C[6a]C[6a]2)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C[6a])(I){1|C<4>,1|S<4>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]I)(N[5]S[5]C){2|H<1>,2|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]I)(C[6a]C[6a]2){1|N<3>,3|H<1>,5|C<3>}	112.7480	0.000	1	112.7480	0.000	1	112.7713	0.988	3	111.5892	4.358	12	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	3:3:3:3:	3:3:3:	C[5,5]-4:C[5]-3:O-1:	C[5,6a]-3:C[5,6a]-3:C[4,5]-3:C[5]-3:	C[4,5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]2C[4,5])(C[5]C[4,5]C[6a])(O)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[4,5]C[4,5]C[4])(C[5]C[5]O)	C[5](C[4,5]C[4,5]2)(C[5]C[5,5]O)(C[6a]C[6a]2)	C[5](C[5,5]C[5,6a]2C[4,5])(C[5]C[4,5]C[6a])(O){1|C<4>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[4,5]C[4,5]C[4])(C[5]C[5]O){1|C<4>,2|H<1>,6|C<3>}	C[5](C[4,5]C[4,5]2)(C[5]C[5,5]O)(C[6a]C[6a]2){2|H<1>,7|C<3>}	110.4360	0.000	1	110.4360	0.000	1	110.4360	0.000	1	111.5892	4.358	12	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	3:3:3:3:	3:3:3:	C[5,5]-4:C[5]-3:O-1:	C[5]-3:C[5,5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(O)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(O){8|C<3>}	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]C[5]O){2|H<1>,8|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2){2|H<1>,7|C<3>}	105.4860	0.000	1	105.4860	0.000	1	105.4860	0.000	1	111.5892	4.358	12	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	3:3:3:4:	3:3:1:	C[5,5]-4:C[5]-3:Cl-1:	N[5,5]-3:C[5]-3:C[5]-3:P-4:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5,5]N[5,5]C[5]P)(C[5]C[5]Cl)(Cl)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]O)(C[5]C[5]Cl)(PO3)	C[5](C[5]C[5,5]Cl)(C[5]N[5,5]O)(Cl)	C[5](C[5,5]N[5,5]C[5]P)(C[5]C[5]Cl)(Cl){2|C<3>,2|O<1>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]O)(C[5]C[5]Cl)(PO3){1|Cl<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,5]Cl)(C[5]N[5,5]O)(Cl){1|P<4>,2|C<3>}	110.2370	0.112	2	110.2370	0.012	2	110.2370	0.012	2	110.2370	0.012	2	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	3:3:4:3:	3:3:2:	C[5,5]-4:C[5]-3:O-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:O-2:	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]O)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5,5]O)(C[5]C[5]S)(OH)	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]O)(O){1|S<4>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)(C[5]C[5]O){1|O<2>,1|S<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,5]O)(C[5]C[5]S)(OH){2|C<3>,2|H<1>}	107.5010	0.000	1	107.5010	0.000	1	107.5010	0.000	1	107.5010	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5,5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5]N[5]HH)(C[5]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]H)(CF3)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]C)(H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5]N[5]HH)(C[5]C[5]H){1|H<1>,2|C<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]H)(CF3){1|C<4>,1|H<1>,3|C<3>}	110.6420	0.000	1	110.6420	0.000	1	110.6420	0.000	1	110.6420	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	3:4:3:1:	3:3:1:	C[5,5]-4:C[5]-3:H-1:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]H)(H)	C[5,5](N[5,5]C[5]2)(C[5]O[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5,5]H)(C[5]N[5,5]O)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]H)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]O[5]HH)(C[5]C[5]H)(H){1|C<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,5]H)(C[5]N[5,5]O)(H){1|H<1>,2|C<4>}	110.3820	0.000	1	110.0890	0.172	2	110.0890	0.172	2	110.0890	0.172	2	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	3:4:3:1:	3:3:1:	C[5,5]-4:C[5]-3:H-1:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]H)(H)	C[5,5](N[5,5]C[5]2)(C[5]O[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5,5]H)(C[5]N[5,5]O)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]H)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]O[5]HH)(C[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5,5]H)(C[5]N[5,5]O)(H){1|H<1>,2|C<4>}	109.7960	0.000	1	110.0890	0.172	2	110.0890	0.172	2	110.0890	0.172	2	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	3:4:3:1:	3:3:3:	C[5,5]-4:C[5]-3:O-1:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:S-3:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]S)(O)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]O)(H)	C[5](C[5]C[5,5]O)(C[5]N[5,5]O)(SCC)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]S)(O){1|O<1>,2|C<4>,2|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]O)(H){1|O<1>,1|S<3>,4|H<1>}	C[5](C[5]C[5,5]O)(C[5]N[5,5]O)(SCC){1|H<1>,2|C<4>}	105.5930	0.000	1	105.5930	0.000	1	105.5930	0.000	1	105.5930	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	3:4:3:1:	4:3:1:	C[5,5]-4:C[5]-3:H-1:	C[5,6a]-3:C[4x5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[4x5]H)(C[5]C[5,5]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[4x5]C[5,5]3)(C[5]C[5]H)(H)	C[5](C[5,5]C[5,6a]C[4x5]H)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[5,6a]C[4x5]H)(C[5]C[5,5]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[4x5]C[5,5]3)(C[5]C[5]H)(H){1|O<2>,4|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[4x5]H)(C[5]C[5,5]H)(H){1|H<1>,2|C<4>,3|C<3>}	113.1145	0.135	2	113.1145	0.018	2	113.1145	0.018	2	111.5334	1.119	8	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	3:4:3:1:	4:3:1:	C[5,5]-4:C[5]-3:H-1:	N[3x5]-3:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:Br-1:	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]Br)(H)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]H)(Br)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]Br)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)(C[5]C[5]H)(H){1|Br<1>,2|C<3>,3|H<1>}	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]H)(Br){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	110.8880	0.000	1	110.8880	0.000	1	111.0063	0.230	6	111.5334	1.119	8	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	3:4:3:1:	4:3:1:	C[5,5]-4:C[5]-3:H-1:	N[3x5]-3:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:Br-1:	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]Br)(H)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5,5]N[3x5]C[5]O)(C[5]C[5,5]H)(Br)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]Br)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)(C[5]C[5]H)(H){1|Br<1>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,5]N[3x5]C[5]O)(C[5]C[5,5]H)(Br){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	110.8805	0.478	4	111.0300	0.283	5	111.0063	0.230	6	111.5334	1.119	8	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	3:4:3:1:	4:3:1:	C[5,5]-4:C[5]-3:H-1:	N[3x5]-3:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:Br-1:	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]Br)(H)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5,5]N[3x5]C[5]O)(C[5]C[5,5]H)(Br)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]Br)(H){1|O<2>,2|H<1>,3|C<4>}	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)(C[5]C[5]H)(H){1|Br<1>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,5]N[3x5]C[5]O)(C[5]C[5,5]H)(Br){2|Br<1>,1|H<1>,3|C<4>}	111.6280	0.000	1	111.0300	0.283	5	111.0063	0.230	6	111.5334	1.119	8	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	3:4:3:1:	4:3:2:	C[5,5]-4:C[5]-3:H-1:	C[5,6a]-3:C[3x5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C-2:	C[5](C[5,5]C[5,6a]C[3x5]H)(C[5]C[5,5]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(C[5]C[5]H)(H)	C[5](C[5,5]C[5,6a]C[3x5]H)(C[5]C[5,5]H)(CN)	C[5](C[5,5]C[5,6a]C[3x5]H)(C[5]C[5,5]C)(H){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(C[5]C[5]H)(H){1|C<2>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[3x5]H)(C[5]C[5,5]H)(CN){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	112.8990	0.000	1	112.8990	0.000	1	112.8990	0.000	1	112.8990	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	3:4:3:1:	4:3:3:	C[5,5]-4:C[5]-3:H-1:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C)(H)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]H)(COO)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]C[5]H)(H){3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]H)(COO){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	111.9335	0.487	2	111.9335	0.237	2	111.9335	0.237	2	111.9335	0.237	2	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	3:4:3:2:	3:3:1:	C[5,5]-4:C[5]-3:H-1:	N[5,5]-3:C[5]-4:C[5]-3:O-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]N[5,5]C[5]O)(C[5]C[5]H)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]H)(OH)	C[5](C[5]C[5,5]H)(C[5]N[5,5]O)(H)	C[5](C[5,5]N[5,5]C[5]O)(C[5]C[5]H)(H){1|O<1>,2|C<4>,2|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]H)(OH){1|C<4>,1|O<1>,4|H<1>}	C[5](C[5]C[5,5]H)(C[5]N[5,5]O)(H){1|O<2>,2|C<4>}	110.1030	0.000	1	110.1030	0.000	1	110.1030	0.000	1	110.1030	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	3:4:3:2:	3:4:1:	C[5,5]-4:C[5]-3:H-1:	N[5]-3:C[5]-4:C[5]-3:O[5]-2:	C[5]-3:C[5]-4:H-1:	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]H)(H)	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]C[5]H)(O[5]C[5])	C[5](C[5]C[5,5]H)(C[5]O[5]CH)(H)	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]H)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]C[5]H)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[5,5]H)(C[5]O[5]CH)(H){1|C<4>,1|N<3>}	108.9020	0.045	2	108.9020	0.002	2	108.9020	0.002	2	108.9020	0.002	2	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	3:4:3:2:	4:3:1:	C[5,5]-4:C[5]-3:Br-1:	N[3x5]-3:C[5]-4:C[5]-3:O-2:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5,5]N[3x5]C[5]O)(C[5]C[5,5]H)(Br)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Br2)(C[5]C[5]Br)(OH)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]Br)(H)	C[5](C[5,5]N[3x5]C[5]O)(C[5]C[5,5]H)(Br){2|Br<1>,1|H<1>,3|C<4>}	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Br2)(C[5]C[5]Br)(OH){2|C<4>,5|H<1>}	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]Br)(H){1|O<2>,2|H<1>,3|C<4>}	112.1830	0.000	1	112.1830	0.000	1	112.1830	0.000	1	110.6123	3.722	3	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	3:4:3:2:	4:3:1:	C[5,5]-4:C[5]-3:H-1:	C[5,6a]-3:C[3,5,5]-4:C[5]-3:O-2:	C[3,5]-4:C[5]-3:H-1:	C[5](C[5,5]C[3,5,5]C[5,6a]O)(C[5]C[3,5]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5,5]C[3,5]2C)(C[5]C[5]H)(OC)	C[5](C[3,5]C[3,5,5]C[3,5]C)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[3,5,5]C[5,6a]O)(C[5]C[3,5]H)(H){1|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5,5]C[3,5]2C)(C[5]C[5]H)(OC){3|C<3>,3|H<1>}	C[5](C[3,5]C[3,5,5]C[3,5]C)(C[5]C[5,5]H)(H){1|H<1>,1|O<2>,3|C<3>}	111.1950	0.000	1	111.1950	0.000	1	111.1950	0.000	1	110.6123	3.722	3	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	3:4:3:2:	4:3:1:	C[5,5]-4:C[5]-3:H-1:	N[5]-3:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]H)(H)	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]C[5]H)(O[5]C[5])	C[5](C[5]C[6]O[5]H)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]H)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]C[5]H)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[6]O[5]H)(C[5]C[5,5]H)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>}	108.4590	0.000	1	108.4590	0.000	1	108.4590	0.000	1	110.6123	3.722	3	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	3:4:3:3:	3:3:1:	C[5,5]-4:C[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5]C[5]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5]C[5]H)(O){1|C<4>,1|O<2>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(C[6a]C[6a]2)(C[5]C[5]O){4|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|O<2>,4|C<3>}	107.9880	0.000	1	107.9880	0.000	1	107.9880	0.000	1	107.9880	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	3:4:3:3:	3:3:3:	C[5,5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]N[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(C[5]C[5]H)(C[5]N[5]O)	C[5](C[5]C[5,5]H)(C[6a]C[6a]2)(N[5]C[5]S)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]N[5])(H){1|H<1>,1|N<3>,1|O<1>,1|S<4>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(C[5]C[5]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	C[5](C[5]C[5,5]H)(C[6a]C[6a]2)(N[5]C[5]S){3|H<1>,5|C<3>}	113.6875	0.839	2	113.6875	0.704	2	113.6875	0.704	2	113.6875	0.704	2	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5,6a]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]H)(C[5]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]H)(CF3)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5,6a]C)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]H)(C[5]N[5]C){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]H)(CF3){1|C<4>,1|H<1>,3|C<3>}	110.5520	0.000	1	110.5520	0.000	1	110.5520	0.000	1	110.9228	7.942	4	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:C[5]-3:I-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(I)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]C[5]I)(C[5]N[5]O)	C[5](C[5]C[5,5]I)(C[6a]C[6a]2)(C[5]C[5]CH)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(I){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]C[5]I)(C[5]N[5]O){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5]I)(C[6a]C[6a]2)(C[5]C[5]CH){4|C<3>,4|H<1>}	115.0160	0.000	1	115.0160	0.000	1	115.0160	0.000	1	110.9228	7.942	4	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:C[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:Si-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]Si)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]C[5]O)(C[5]N[5]O)	C[5](C[5]C[6a]C[5])(C[5]C[5,5]O)(SiC3)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]Si)(O){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]C[5]O)(C[5]N[5]O){1|Si<4>,1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5,5]O)(SiC3){2|H<1>,4|C<3>}	109.0615	0.077	2	109.0615	0.006	2	109.0615	0.006	2	110.9228	7.942	4	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	3:4:3:3:	4:3:1:	C[5,5]-4:C[5]-3:H-1:	C[5,6a]-3:C[3,5,5]-4:C[5]-3:C-3:	C[3,5]-4:C[5]-3:H-1:	C[5](C[5,5]C[3,5,5]C[5,6a]C)(C[5]C[3,5]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5,5]C[3,5]2C)(C[5]C[5]H)(COO)	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[3,5,5]C[5,6a]C)(C[5]C[3,5]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5,5]C[3,5]2C)(C[5]C[5]H)(COO){2|C<3>,4|H<1>}	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5]C[5,5]H)(H){1|H<1>,4|C<3>}	110.4210	0.000	1	110.4210	0.000	1	110.4210	0.000	1	110.4210	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	3:4:3:3:	4:3:3:	C[5,5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(C[5]N[5]O)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]H)(COO)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]C)(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(C[5]N[5]O){1|N<3>,1|O<1>,2|H<1>,7|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]H)(COO){6|C<3>}	110.9190	0.000	1	110.9190	0.000	1	110.9190	0.000	1	111.2400	0.206	2	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	3:4:3:3:	4:3:3:	C[5,5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]C[5]H)(C[5]N[5]O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5,5]H)(COO)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]C[5]H)(C[5]N[5]O){2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5,5]H)(COO){1|H<1>,5|C<3>}	111.5610	0.000	1	111.5610	0.000	1	111.5610	0.000	1	111.2400	0.206	2	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	3:4:3:4:	3:3:1:	C[5,5]-4:C[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[5]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]O)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,5]N)(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[5]H)(O){1|N<3>,2|C<3>,2|O<2>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]O)(C[5]C[5]O)(CH3){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]N)(C[5]C[5,5]O)(H){1|C<3>,1|C<4>,2|O<2>}	110.0950	0.000	1	110.0950	0.000	1	110.0950	0.000	1	110.0950	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:2:3:1:	3:3:1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:O[5]-2:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(C[5]C[5]H)(H)	C[5](C[5]C[5,5]C)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(H){1|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(C[5]C[5]H)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5,5]C)(C[5]C[5,5]H)(H){1|C<3>,1|O<2>,2|H<1>}	111.5180	0.796	2	111.5180	0.634	2	111.5180	0.634	2	111.5180	0.634	2	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5]-4:C[5]-3:H-1:	C[5,5,6,6]-4:O[5]-2:C[5]-3:H-1:	C[5,6,6]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,5,6,6]O[5]H)(C[5]C[5,6,6]H)(H)	C[5,5](C[5,5,6,6]C[5,3x6]C[5,6,6]H)(O[5]C[5,6,6])(C[5]C[5]H)(H)	C[5](C[5,6,6]C[5,5,6,6]C[3x6]H)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[5,5,6,6]O[5]H)(C[5]C[5,6,6]H)(H){2|H<1>,3|C<4>}	C[5,5](C[5,5,6,6]C[5,3x6]C[5,6,6]H)(O[5]C[5,6,6])(C[5]C[5]H)(H){1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,5,6,6]C[3x6]H)(C[5]C[5,5]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	111.2430	0.000	1	111.2430	0.000	1	111.2430	0.000	1	111.6110	0.271	2	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:O[5]-2:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(C[5]C[5]H)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(H){2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(C[5]C[5]H)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H){1|C<3>,1|O<2>,2|H<1>}	111.9790	0.000	1	111.9790	0.000	1	111.9790	0.000	1	111.6110	0.271	2	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:2:3:1:	4:3:2:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:S[5]-2:C[5]-3:H-1:	C[5]-4:C[5]-3:S[5]-2:	C[5](C[5,5]C[5,5]S[5]H)(C[5]C[5]S[5])(H)	C[5,5](C[5,5]C[5x3,6x5,20x6]C[5]S[5])(S[5]C[5x3,6x5,20x6])(C[5]C[5]H)(H)	C[5](C[5]C[5]2Fe)(C[5]C[5,5]H)(S[5]C[5,5])	C[5](C[5,5]C[5,5]S[5]H)(C[5]C[5]S[5])(H){1|Fe<10>,2|C<6>,3|C<4>}	C[5,5](C[5,5]C[5x3,6x5,20x6]C[5]S[5])(S[5]C[5x3,6x5,20x6])(C[5]C[5]H)(H){1|Fe<10>,3|C<4>,6|B<6>}	C[5](C[5]C[5]2Fe)(C[5]C[5,5]H)(S[5]C[5,5]){1|C<6>,1|S<2>,3|C<4>,3|H<1>}	116.6570	0.000	1	116.6570	0.000	1	116.6570	0.000	1	116.6570	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:2:3:2:	3:3:4:	C[5,5]-4:C[5]-3:H-1:	C[5,6]-4:O[5]-2:C[5]-3:O[5]-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6]O[5]2)(C[5]C[5]C)(H)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5,6])(C[5]C[5]H)(O[5]C[5])	C[5](C[5]C[5,5]H)(C[5]O[5]N)(CCHH)	C[5](C[5,5]C[5,6]O[5]2)(C[5]C[5]C)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5,5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5,6])(C[5]C[5]H)(O[5]C[5]){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]H)(C[5]O[5]N)(CCHH){1|C<4>,1|O<2>}	110.2480	0.000	1	110.2480	0.000	1	110.2480	0.000	1	110.2480	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:2:3:3:	4:3:3:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:O[5]-2:C[5]-3:N-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5,5]C[5,5]O[5]N)(C[5]C[5]C)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(C[5]C[5]H)(NOO)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]H)(COO)	C[5](C[5,5]C[5,5]O[5]N)(C[5]C[5]C)(H){2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(C[5]C[5]H)(NOO){1|H<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]H)(COO){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	110.0370	0.000	1	110.0370	0.000	1	110.0370	0.000	1	110.0370	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:2:3:3:	4:3:4:	C[5,5]-4:C[5]-3:H-1:	C[5]-4:O[5]-2:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:C-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(H)	C[5,5](C[5]C[5,6a]HH)(O[5]C[5,6a])(C[5]C[5]H)(C[5]C[5]O)	C[5](C[5]C[5a]C[5]H)(C[5]C[5,5]H)(CC3)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(H){1|O<1>,3|C<3>,3|H<1>}	C[5,5](C[5]C[5,6a]HH)(O[5]C[5,6a])(C[5]C[5]H)(C[5]C[5]O){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[5a]C[5]H)(C[5]C[5,5]H)(CC3){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	114.6200	0.000	1	114.6200	0.000	1	114.6200	0.000	1	114.6200	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:3:2:1:	3:3:1:	C[5,5]-4:C[5]-3:O-1:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(O)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O)(O[5]C[5])(H)	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O)(O[5]C[5])(H){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(H){2|H<1>,2|O<2>}	107.8280	0.000	1	107.8280	0.000	1	107.8280	0.000	1	107.8280	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:3:2:1:	4:3:1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)(O[5]C[5])(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(H){1|C<3>,1|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)(O[5]C[5])(H){1|O<1>,1|O<2>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H){1|C<4>,1|O<2>,2|H<1>}	111.5140	0.000	1	111.5140	0.000	1	111.6031	0.289	7	111.6780	0.293	8	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:3:2:1:	4:3:1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)(O[5]N[5])(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(H){1|C<4>,1|N<3>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)(O[5]N[5])(H){2|C<3>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H){1|C<4>,1|O<2>,2|H<1>}	111.0640	0.049	2	111.0640	0.002	2	111.6031	0.289	7	111.6780	0.293	8	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:3:2:1:	4:3:1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5]2O)(C[5]C[5]H)(O[5]C[5])(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(H){1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]2O)(C[5]C[5]H)(O[5]C[5])(H){1|N<3>,1|O<2>,5|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H){1|C<4>,1|H<1>,2|O<2>}	111.4400	0.000	1	111.4400	0.000	1	111.6031	0.289	7	111.6780	0.293	8	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:3:2:1:	4:3:1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(H){1|C<3>,1|N<3>,3|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(H){1|N<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H){1|N<3>,1|O<2>,2|H<1>}	112.0125	0.721	2	112.0125	0.519	2	111.6031	0.289	7	111.6780	0.293	8	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:3:2:1:	4:3:1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(H)	C[5](C[5]C[5,5]HN)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,5]HN)(C[5]C[5,5]H)(H){1|N<3>,1|O<2>,2|H<1>}	112.1150	0.000	1	112.1150	0.000	1	111.6031	0.289	7	111.6780	0.293	8	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:3:2:1:	4:3:1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:S[5]-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,5]S[5]H)(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5]P[5]H)(C[5]C[5]H)(S[5]P[5])(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[5,5]S[5]H)(C[5]C[5]H)(H){1|P<3>,1|P<4>,3|H<1>}	C[5,5](C[5,5]C[5]P[5]H)(C[5]C[5]H)(S[5]P[5])(H){1|S<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H){1|P<4>,1|S<2>,2|H<1>}	112.2020	0.000	1	112.2020	0.000	1	112.2020	0.000	1	111.6780	0.293	8	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:3:2:1:	4:3:3:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5])(H)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]H)(O[5]C[5])(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5])(H){2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5]2C)(C[5]C[5]H)(O[5]C[5])(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(C[6a]C[6a]2){1|O<2>,3|H<1>,4|C<3>}	113.5680	0.000	1	113.5680	0.000	1	113.5680	0.000	1	113.5680	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:3:2:1:	4:3:4:	C[5,5]-4:C[5]-3:H-1:	C[3x5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5]C)(H)	C[5,5](C[3x5]C[5,5]2C)(C[5]C[5]H)(O[5]C[5])(H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]H)(CH3)	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5]C)(H){1|H<1>,4|C<4>}	C[5,5](C[3x5]C[5,5]2C)(C[5]C[5]H)(O[5]C[5])(H){2|H<1>,5|C<4>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]H)(CH3){2|H<1>,2|O<2>,3|C<4>}	112.9855	0.043	2	112.9855	0.002	2	112.9855	0.002	2	112.9257	0.012	3	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:3:2:1:	4:3:4:	C[5,5]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]C)(H)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]H)(O[5]C[5])(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]H)(CHHO)	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]C)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]H)(CHHO){1|C<3>,3|H<1>,3|O<2>}	112.8060	0.000	1	112.8060	0.000	1	112.8060	0.000	1	112.9257	0.012	3	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:3:2:2:	3:3:3:	C[5,5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:O[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5])(H)	C[5,5](C[5]C[5,5]HH)(C[5]C[5]H)(O[5]C[5])2	C[5](C[5]C[5,5]H)(C[6a]C[6a]2)(C[5]O[5]O)	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5]C[5,5]HH)(C[5]C[5]H)(O[5]C[5])2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]H)(C[6a]C[6a]2)(C[5]O[5]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	110.9790	0.000	1	110.9790	0.000	1	111.1610	0.066	2	111.1610	0.066	2	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:3:2:2:	3:3:3:	C[5,5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:O[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5])(H)	C[5,5](C[5]C[5,6]HH)(C[5]C[5]H)(O[5]C[5])2	C[5](C[5]C[5,5]H)(C[6a]C[6a]2)(C[5]O[5]O)	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5]C[5,6]HH)(C[5]C[5]H)(O[5]C[5])2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]H)(C[6a]C[6a]2)(C[5]O[5]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	111.3430	0.000	1	111.3430	0.000	1	111.1610	0.066	2	111.1610	0.066	2	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:3:2:2:	3:4:1:	C[5,5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:O[5]-2:O[5]-2:	C[5]-3:C[5]-4:H-1:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]H)(H)	C[5,5](C[5]C[5]HH)(C[5]C[5]H)(O[5]C[5])2	C[5](C[5]C[5,5]H)(C[5]C[5]CC)(H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]H)(H){2|H<1>,4|C<4>}	C[5,5](C[5]C[5]HH)(C[5]C[5]H)(O[5]C[5])2{3|H<1>,4|C<4>}	C[5](C[5]C[5,5]H)(C[5]C[5]CC)(H){2|H<1>,2|O<2>}	111.9390	0.000	1	111.9390	0.000	1	111.1690	1.186	2	111.1690	1.186	2	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:3:2:2:	3:4:1:	C[5,5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:O[5]-2:O[5]-2:	C[5]-3:C[5]-4:H-1:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]H)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]H)(O[5]C[5])2	C[5](C[5]C[5,5]H)(C[5]O[5]CO)(H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]H)(O[5]C[5])2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[5]C[5,5]H)(C[5]O[5]CO)(H){1|C<4>,1|O<2>}	110.3990	0.000	1	110.3990	0.000	1	111.1690	1.186	2	111.1690	1.186	2	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:3:2:2:	4:3:1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:O[5]-2:O-2:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5]2N)(C[5]C[5]H)(O[5]C[5])(OSi)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]H)(H){1|N<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]2N)(C[5]C[5]H)(O[5]C[5])(OSi){2|C<4>,5|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H){1|C<4>,1|N<3>,2|O<2>}	112.3480	0.000	1	112.3480	0.000	1	112.3480	0.000	1	112.7780	0.210	3	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:3:2:2:	4:3:1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:O[5]-2:O[5]-2:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,5]O[5]2)(C[5]C[5,5]H)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(O[5]C[5])2	C[5](C[5,5]C[5,5]2H)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[5,5]O[5]2)(C[5]C[5,5]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(O[5]C[5])2{1|C<3>,1|C<4>,7|H<1>}	C[5](C[5,5]C[5,5]2H)(C[5]C[5,5]H)(H){1|H<1>,2|C<3>,4|O<2>}	112.9930	0.378	2	112.9930	0.143	2	112.9930	0.143	2	112.7780	0.210	3	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:3:2:4:	4:3:4:	C[5,5]-4:C[5]-3:H-1:	C[3x5]-4:C[5]-3:O[5]-2:C-4:	C[5,5]-4:C[5]-3:C-4:	C[5](C[5,5]C[3x5]O[5]C)(C[5]C[5,5]C)(H)	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5]C[5]H)(O[5]C[5])(CCHH)	C[5](C[5,5]C[3x5]N[5]H)(C[5]C[5,5]H)(CH3)	C[5](C[5,5]C[3x5]O[5]C)(C[5]C[5,5]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5]C[5]H)(O[5]C[5])(CCHH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,5]C[3x5]N[5]H)(C[5]C[5,5]H)(CH3){1|O<2>,2|C<3>,3|C<4>}	112.9840	0.000	1	112.9840	0.000	1	112.9840	0.000	1	112.9840	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:3:3:1:	3:2:1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:N[5]-3:C[5]-3:H-1:	C[5]-3:O[5]-2:H-1:	C[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]H)(H)	C[5,5](C[5,5]C[3,5]C[6a]O[5])(N[5]C[6a]C[5])(C[5]C[5]H)(H)	C[5](C[5]C[5,5]H)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]H)(H){1|C<4>,3|C<3>}	C[5,5](C[5,5]C[3,5]C[6a]O[5])(N[5]C[6a]C[5])(C[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[5](C[5]C[5,5]H)(O[5]C[5,5])(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	107.8080	0.000	1	107.8080	0.000	1	107.8080	0.000	1	107.8080	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:3:3:1:	3:3:1:	C[5,5]-4:C[5]-3:O-1:	C[5,5,6,6]-4:C[5,6a]-3:C[5]-3:H-1:	N[5,6]-3:C[5]-3:O-1:	C[5](C[5,5]C[5,5,6,6]C[5,6a]H)(C[5]N[5,6]O)(O)	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5]O)(O)	C[5](C[5,5]C[5,5,6,6]C[5,6a]H)(C[5]N[5,6]O)(O){1|N<3>,2|C<3>,2|C<4>}	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5]O)(O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	106.2710	0.000	1	106.2710	0.000	1	106.2710	0.000	1	106.9495	0.447	4	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:3:3:1:	3:3:1:	C[5,5]-4:C[5]-3:O-1:	C[5,5,6]-4:C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]H)(O)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]O)(C[5]O[5]O)(H)	C[5](C[5]C[5,5,6]H)(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]H)(O){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]O)(C[5]O[5]O)(H){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[5,5,6]H)(C[5]C[5,5]O)(H){1|C<3>,1|H<1>,2|C<4>}	106.7050	0.000	1	106.7050	0.000	1	106.7050	0.000	1	106.9495	0.447	4	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:3:3:1:	3:3:1:	C[5,5]-4:C[5]-3:O-1:	C[5,5,6]-4:C[5]-3:N[5]-3:H-1:	C[5,6]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]H)(O)	C[5,5](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5]C[5]O)(N[5]C[5]C)(H)	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]H)(O){2|C<3>,3|C<4>}	C[5,5](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5]C[5]O)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]O)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	106.9660	0.000	1	106.9660	0.000	1	106.9660	0.000	1	106.9495	0.447	4	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:3:3:1:	3:3:1:	C[5,5]-4:C[5]-3:O-1:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(O)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5,5]H)(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(O){1|C<3>,1|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)(C[5]C[5]O)(H){1|O<2>,4|H<1>}	C[5](C[5]C[5,5]H)(C[5]C[5,5]O)(H){1|C<3>,1|C<4>,2|H<1>}	107.8560	0.000	1	107.8560	0.000	1	107.8560	0.000	1	106.9495	0.447	4	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:3:3:1:	3:3:4:	C[5,5]-4:C[5]-3:O-1:	C[5,5]-4:C[5,6a]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]C)(O)	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]C)(O){1|O<2>,4|C<3>}	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|O<2>,5|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,1|O<2>,4|C<3>}	108.4310	0.000	1	108.4310	0.000	1	108.4310	0.000	1	108.4077	0.115	3	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:3:3:1:	3:3:4:	C[5,5]-4:C[5]-3:O-1:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(O)	C[5,5](C[5,5]C[5,5]C[5]O)(C[5]C[5,5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5,5]H)(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5,5]C[5]O)(C[5]C[5,5]H)(C[5]C[5]O)(H){2|H<1>,3|C<4>}	C[5](C[5]C[5,5]H)(C[5]C[5,5]O)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	108.7340	0.000	1	108.7340	0.000	1	108.3960	0.228	2	108.4077	0.115	3	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:3:3:1:	3:3:4:	C[5,5]-4:C[5]-3:O-1:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(O)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5,5]H)(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(O){1|C<4>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5]2C)(C[5]C[5]H)(C[5]C[5]O)(H){1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5,5]H)(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,2|C<3>}	108.0580	0.000	1	108.0580	0.000	1	108.3960	0.228	2	108.4077	0.115	3	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:3:3:1:	4:3:1:	C[5,5]-4:C[5]-3:H-1:	C[5,5,6]-4:N[5]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(C[5]C[5]H)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(C[5]C[5]H)(H){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]H)(H){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	112.3737	0.319	3	112.3737	0.102	3	112.3737	0.102	3	112.3914	0.094	11	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:3:3:1:	4:3:1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5,5]HO)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)(C[5]C[5]O)(H){1|O<2>,4|H<1>}	C[5](C[5]C[5,5]HO)(C[5]C[5,5]H)(H){2|C<3>,2|H<1>}	112.5800	0.000	1	112.5800	0.000	1	112.3927	0.147	6	112.3914	0.094	11	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:3:3:1:	4:3:1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5]2O)(C[5]C[5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H){2|C<4>,2|H<1>,2|O<1>}	C[5,5](C[5,5]C[5]2O)(C[5]C[5]H)(C[5]C[5]O)(H){3|H<1>,4|C<4>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	111.7030	0.000	1	111.7030	0.000	1	112.3927	0.147	6	112.3914	0.094	11	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:3:3:1:	4:3:1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]C)(C[5]C[5]H)(H){1|S<4>,5|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H){1|C<3>,1|N<3>,2|H<1>}	112.2900	0.000	1	112.2900	0.000	1	112.3927	0.147	6	112.3914	0.094	11	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:3:3:1:	4:3:1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H){1|O<2>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]C)(C[5]C[5]H)(H){1|O<1>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H){1|C<3>,1|O<2>,2|H<1>}	112.5943	0.213	3	112.5943	0.046	3	112.3927	0.147	6	112.3914	0.094	11	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:3:3:1:	4:3:1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)(N[5]C[5]C)(H)	C[5](C[5]C[5,5]HN)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)(N[5]C[5]C)(H){1|C<3>,1|N<3>,3|H<1>}	C[5](C[5]C[5,5]HN)(C[5]C[5,5]H)(H){1|C<3>,1|N<3>,2|H<1>}	112.4110	0.000	1	112.4110	0.000	1	112.4110	0.000	1	112.3914	0.094	11	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:3:3:1:	4:3:1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:N[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(C[5]C[5]H)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]H)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(C[5]C[5]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]H)(H){1|C<3>,1|N<3>,2|H<1>}	112.4170	0.000	1	112.4170	0.000	1	112.4170	0.000	1	112.3914	0.094	11	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:3:3:1:	4:3:3:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5,5]H)(COO)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(C[5]N[5]O)(H){1|O<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5,5]H)(COO){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	111.9620	0.296	3	111.9620	0.087	3	111.9620	0.087	3	111.7312	2.968	13	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:3:3:1:	4:3:3:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]H)(COO)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)(C[5]C[5]O)(H){3|C<3>,3|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]H)(COO){1|C<4>,2|H<1>,3|C<3>}	111.7040	0.000	1	111.7040	0.000	1	112.2950	0.699	2	111.7312	2.968	13	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:3:3:1:	4:3:3:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)(C[5]N[5]O)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]H)(CCO)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]H)(CCO){2|H<1>,4|C<3>}	112.8860	0.000	1	112.8860	0.000	1	112.2950	0.699	2	111.7312	2.968	13	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:3:3:1:	4:3:3:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)2(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)2(H){2|C<3>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	112.1085	0.091	2	112.1085	0.008	2	112.1085	0.008	2	111.7312	2.968	13	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:3:3:1:	4:3:3:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[6a]C[5])(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)(N[5]S[5]H)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]H)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[6a]C[5])(H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)(N[5]S[5]H)(H){2|C<3>,2|O<1>,3|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]H)(C[6a]C[6a]2){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	113.4975	0.046	2	113.4975	0.002	2	113.4975	0.002	2	111.7312	2.968	13	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:3:3:1:	4:3:3:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:N[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5,5]C)(H)	C[5,5](C[5,5]C[5,6a]C[5,5]N)(N[5]C[5,6a]C)(C[5]C[5]H)(H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5,5]H)(COO)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5,5]C)(H){1|N<3>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5]N)(N[5]C[5,6a]C)(C[5]C[5]H)(H){5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5,5]H)(COO){1|H<1>,1|O<1>,3|C<3>,3|N<3>}	112.3065	0.240	2	112.3065	0.057	2	112.3065	0.057	2	111.7312	2.968	13	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:3:3:1:	4:3:3:	C[5,5]-4:C[5]-3:O-1:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(O)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(CC[6a]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(O){1|C<3>,1|C<4>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)(C[5]C[5]O)(H){3|C<3>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(CC[6a]H){1|C<3>,1|C<4>,2|H<1>}	108.5270	0.000	1	108.5270	0.000	1	108.5270	0.000	1	111.7312	2.968	13	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:3:3:1:	4:3:3:	C[5,5]-4:C[5]-3:O-1:	C[5,5]-4:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]C)(O)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]O)(N[5]C[5]C)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(CC[5]O)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]C)(O){2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]O)(N[5]C[5]C)(H){1|I<1>,3|C<3>,3|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(CC[5]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	107.6780	0.000	1	107.6780	0.000	1	107.6780	0.000	1	111.7312	2.968	13	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:3:3:1:	4:3:4:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(H)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5,5]CO)(C[5]C[5,5]H)(CH3)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[5,5](C[5,5]C[5]2C)(C[5]C[5]H)(C[5]C[5]O)(H){1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5,5]CO)(C[5]C[5,5]H)(CH3){1|H<1>,3|C<3>}	113.6970	0.000	1	113.6970	0.000	1	113.6970	0.000	1	113.6970	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:3:3:2:	3:3:1:	C[5,5]-4:C[5]-3:O-1:	C[5,6]-4:N[5,5]-3:C[5]-3:O-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6]N[5,5]O)(C[5]C[5]H)(O)	C[5,5](C[5,6]C[5,6]2C)(N[5,5]C[5]2)(C[5]C[5]O)(OC)	C[5](C[5]C[5,5]O)(C[5]N[5,5]H)(H)	C[5](C[5,5]C[5,6]N[5,5]O)(C[5]C[5]H)(O){1|C<3>,1|H<1>,3|C<4>}	C[5,5](C[5,6]C[5,6]2C)(N[5,5]C[5]2)(C[5]C[5]O)(OC){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5]O)(C[5]N[5,5]H)(H){1|O<2>,2|C<4>}	106.0370	0.008	2	106.0370	0.000	2	106.0370	0.000	2	105.1926	0.689	5	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:3:3:2:	3:3:1:	C[5,5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:C[5]-3:O[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(O)	C[5,5](C[5]C[5]CC)(C[5]C[5]O)(C[5]O[5]O)(O[5]C[5])	C[5](C[5]C[6a]O[5])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(O){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[5,5](C[5]C[5]CC)(C[5]C[5]O)(C[5]O[5]O)(O[5]C[5]){1|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5])(C[5]C[5,5]O)(H){1|C<4>,3|C<3>}	105.0890	0.000	1	104.6555	0.376	2	104.6297	0.190	3	105.1926	0.689	5	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:3:3:2:	3:3:1:	C[5,5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:C[5]-3:O[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(O)	C[5,5](C[5]C[5]CC)(C[5]C[5]O)(C[5]O[5]O)(O[5]C[5])	C[5](C[5]C[6a]O[5])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(O){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,5](C[5]C[5]CC)(C[5]C[5]O)(C[5]O[5]O)(O[5]C[5]){1|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5])(C[5]C[5,5]O)(H){1|C<4>,3|C<3>}	104.2220	0.000	1	104.6555	0.376	2	104.6297	0.190	3	105.1926	0.689	5	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:3:3:2:	3:3:1:	C[5,5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:C[5]-3:O[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(O)	C[5,5](C[5]C[5]CH)(C[5]C[5]O)(C[5]O[5]O)(O[5]C[5])	C[5](C[5]C[5,5]O)(C[5]O[5]H)(H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,5](C[5]C[5]CH)(C[5]C[5]O)(C[5]O[5]O)(O[5]C[5]){4|H<1>}	C[5](C[5]C[5,5]O)(C[5]O[5]H)(H){1|C<3>,1|C<4>}	104.5780	0.000	1	104.5780	0.000	1	104.6297	0.190	3	105.1926	0.689	5	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:3:3:2:	3:3:2:	C[5,5]-4:C[5]-3:O-1:	C[5,5]-4:C[5,6a]-3:C[5]-3:O-2:	C[5]-3:C[5]-3:O-2:	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]O)(O)	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(OH)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(OS)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]O)(O){1|O<2>,4|C<3>}	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(OH){2|O<2>,5|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(OS){2|O<2>,4|C<3>}	105.6220	0.000	2	105.6220	0.000	2	105.6220	0.000	2	105.6220	0.000	2	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:3:3:2:	3:3:4:	C[5,5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:C[5]-3:O[5]-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]C)(H)	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)2(O[5]C[5])	C[5](C[5]C[5,5]H)(C[5]O[5]O)(CCHO)	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]C)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)2(O[5]C[5]){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]H)(C[5]O[5]O)(CCHO){1|C<3>,1|C<4>}	110.7140	0.000	1	110.7140	0.000	1	110.7140	0.000	1	107.5677	2.216	15	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:3:3:2:	3:3:4:	C[5,5]-4:C[5]-3:O-1:	C[5,5,6]-4:C[5]-3:C[5]-3:O-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5,6]C[5]O)(C[5]C[5]C)(O)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]O)(C[5]O[5]O)(OH)	C[5](C[5]C[5,5,6]H)(C[5]C[5,5]O)(CCCH)	C[5](C[5,5]C[5,5,6]C[5]O)(C[5]C[5]C)(O){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]O)(C[5]O[5]O)(OH){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5,6]H)(C[5]C[5,5]O)(CCCH){1|C<3>,1|O<2>,2|C<4>}	108.1360	0.000	1	108.1360	0.000	1	108.1360	0.000	1	107.5677	2.216	15	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:3:3:2:	3:3:4:	C[5,5]-4:C[5]-3:O-1:	C[5,5]-4:C[5]-3:C[5]-3:O-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]C)(O)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]O)(C[5]C[5]O)(OH)	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]C)(O){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]O)(C[5]C[5]O)(OH){2|C<3>,3|C<4>}	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	108.0370	0.000	1	108.0370	0.000	1	108.0370	0.000	1	107.5677	2.216	15	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:3:3:2:	3:3:4:	C[5,5]-4:C[5]-3:O-1:	C[5,5]-4:C[5]-3:C[5]-3:O[5]-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]C)(O)	C[5,5](C[5,5]C[5]2N[5])(C[5]C[5]O)2(O[5]C[5])	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]C)(O){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5,5](C[5,5]C[5]2N[5])(C[5]C[5]O)2(O[5]C[5]){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	108.2675	0.585	4	108.2221	0.189	7	108.2221	0.189	7	107.5677	2.216	15	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:3:3:2:	3:3:4:	C[5,5]-4:C[5]-3:O-1:	C[5,5]-4:C[5]-3:C[5]-3:O[5]-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]C)(O)	C[5,5](C[5,5]C[5]2N[5])(C[5]C[5]O)2(O[5]C[5])	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]C)(O){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5,5](C[5,5]C[5]2N[5])(C[5]C[5]O)2(O[5]C[5]){1|O<1>,2|H<1>,6|C<4>}	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	108.1617	0.214	3	108.2221	0.189	7	108.2221	0.189	7	107.5677	2.216	15	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:3:3:2:	3:3:4:	C[5,5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:C[5]-3:O[5]-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(O)	C[5,5](C[5]C[5]HH)(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5])	C[5](C[5]C[5,5]O)(C[5]O[5]H)(CH3)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(O){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[5,5](C[5]C[5]HH)(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5]){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5,5]O)(C[5]O[5]H)(CH3){1|C<3>,1|C<4>}	105.5850	0.467	2	105.5850	0.218	2	105.8146	0.268	5	107.5677	2.216	15	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:3:3:2:	3:3:4:	C[5,5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:C[5]-3:O[5]-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(O)	C[5,5](C[5]C[5]HO)(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5])	C[5](C[5]C[5,5]O)(C[5]O[5]C)(CH3)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(O){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[5,5](C[5]C[5]HO)(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5]){1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5,5]O)(C[5]O[5]C)(CH3){1|C<3>,1|C<4>}	105.5870	0.000	1	105.5870	0.000	1	105.8146	0.268	5	107.5677	2.216	15	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:3:3:2:	3:3:4:	C[5,5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:C[5]-3:O[5]-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(O)	C[5,5](C[5]C[5]HO)(C[5]C[5]O)(C[5]O[5]O)(O[5]C[5])	C[5](C[5]C[5a]O[5])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	C[5,5](C[5]C[5]HO)(C[5]C[5]O)(C[5]O[5]O)(O[5]C[5]){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5a]O[5])(C[5]C[5,5]O)(CH3){1|C<4>,1|O<2>,2|C<3>}	106.1580	0.680	2	106.1580	0.463	2	105.8146	0.268	5	107.5677	2.216	15	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:3:3:2:	4:3:1:	C[5,5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:C[5]-3:O[5]-2:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5,6]H)(H)	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)2(O[5]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5,6]H)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)2(O[5]C[5]){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]H)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	111.2170	0.000	1	111.2170	0.000	1	111.2170	0.000	1	111.2170	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:3:3:3:	3:3:1:	C[5,5]-4:C[5]-3:O-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5]C[5]H)(O)	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5]C[5]H)(O){1|O<2>,6|C<3>}	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){4|H<1>,7|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(H){1|O<2>,5|C<3>}	108.8050	0.054	2	108.8050	0.003	2	108.8050	0.003	2	108.8050	0.003	2	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:3:3:3:	3:3:2:	C[5,5]-4:C[5]-3:H-1:	C[5]-4:N[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:O[5]-2:	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]O[5])(H)	C[5,5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[5]C[5]H)(C[5]O[5]O)	C[5](C[5]C[5,5]H)(C[6a]C[6a]2)(O[5]C[5])	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]O[5])(H){1|H<1>,1|N<2>,1|O<1>,5|C<3>}	C[5,5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[5]C[5]H)(C[5]O[5]O){6|C<3>}	C[5](C[5]C[5,5]H)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	109.7890	0.000	1	109.7890	0.000	1	109.7890	0.000	1	109.7890	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:3:3:3:	3:3:4:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:N[5]-3:C[5]-3:	N[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]C)(H)	C[5,5](C[5,5]C[6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5]Co)(C[5]C[5]H)	C[5](N[5]C[5,5]Co)(C[5]C[5,5]H)(CC3)	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]C)(H){2|Co<3>,5|C<3>}	C[5,5](C[5,5]C[6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5]Co)(C[5]C[5]H){1|Co<3>,2|C<4>,3|H<1>,4|C<3>}	C[5](N[5]C[5,5]Co)(C[5]C[5,5]H)(CC3){1|N<3>,3|C<3>}	111.7410	0.040	2	111.7410	0.002	2	111.7410	0.002	2	111.7410	0.002	2	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:3:3:3:	4:3:3:	C[5,5]-4:C[5]-3:H-1:	C[3x5]-4:C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[3x5]-4:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]2C[3x5])(C[5]C[3x5]C[6a])(H)	C[5,5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6a]C[5,6a]C[6a])2(C[5]C[5]H)	C[5](C[3x5]C[3x5]N[5]O[5])(C[5]C[5,5]H)(C[6a]C[6a]2)	C[5](C[5,5]C[5,6a]2C[3x5])(C[5]C[3x5]C[6a])(H){1|C<4>,1|N<3>,1|O<2>,7|C<3>}	C[5,5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6a]C[5,6a]C[6a])2(C[5]C[5]H){1|C<4>,1|N<3>,1|O<2>,4|H<1>,7|C<3>}	C[5](C[3x5]C[3x5]N[5]O[5])(C[5]C[5,5]H)(C[6a]C[6a]2){2|H<1>,3|C<4>,6|C<3>}	114.7250	0.000	1	114.7250	0.000	1	114.7250	0.000	1	114.5185	0.085	2	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:3:3:3:	4:3:3:	C[5,5]-4:C[5]-3:H-1:	C[4,5,5]-4:C[6a]-3:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,5]C[4,5,5]C[6a]C[5])(C[5]C[6a]C[5])(H)	C[5,5](C[4,5,5]C[4,5]C[4]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[4,5,5]CC)(C[5]C[5,5]H)(C[6a]C[6a]2)	C[5](C[5,5]C[4,5,5]C[6a]C[5])(C[5]C[6a]C[5])(H){1|C<4>,3|C<2>,6|C<3>}	C[5,5](C[4,5,5]C[4,5]C[4]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){3|C<2>,3|H<1>,5|C<3>}	C[5](C[5]C[4,5,5]CC)(C[5]C[5,5]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	114.3120	0.000	1	114.3120	0.000	1	114.3120	0.000	1	114.5185	0.085	2	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:3:3:4:	3:3:1:	C[5,5]-4:C[5]-3:O-1:	C[5,5]-4:N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]H)(O)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]H)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]H)(O){2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]H)(C[5]C[5]O)(CH3){1|H<1>,3|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	108.5545	0.224	2	108.5545	0.050	2	108.5545	0.050	2	108.5545	0.050	2	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:3:3:4:	4:3:1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:N[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]H)(N[5]C[5]O)(CH3)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]2C)(C[5]C[5]H)(N[5]C[5]O)(CH3){1|C<4>,6|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H){1|C<3>,1|N<3>,2|C<4>}	113.5240	0.000	1	113.5240	0.000	1	113.5240	0.000	1	113.5240	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:3:3:4:	4:3:3:	C[5,5]-4:C[5]-3:O-1:	C[5,5]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]C)(O)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]O)2(CCHH)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]O)(CCO)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]C)(O){1|O<1>,5|C<4>}	C[5,5](C[5,5]C[5]2C)(C[5]C[5]O)2(CCHH){2|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]CC)(C[5]C[5,5]O)(CCO){1|C<3>,3|C<4>}	111.8730	0.000	1	111.8730	0.000	1	111.8730	0.000	1	111.8730	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:4:3:1:	3:2:1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:H-1:	C[5](C[5,5]C[5,5]2H)(C[5]O[5]H)(H)	C[5,5](C[5,5]C[5,5]2H)(C[5,5]O[5]2H)(C[5]C[5]H)(H)	C[5](C[5]C[5,5]H)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]2H)(C[5]O[5]H)(H){1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,5]2H)(C[5,5]O[5]2H)(C[5]C[5]H)(H){1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]H)(O[5]C[5,5])(H){1|C<4>,1|O<2>,2|H<1>}	108.8540	0.748	2	108.8540	0.560	2	108.8540	0.560	2	108.9967	0.341	3	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:4:3:1:	3:2:1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]H)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5,5]H)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]H)(H){1|C<4>,1|O<2>,3|H<1>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)(C[5]C[5]H)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5,5]H)(O[5]C[5,5])(H){1|C<4>,1|O<2>,2|H<1>}	109.2820	0.000	1	109.2820	0.000	1	109.2820	0.000	1	108.9967	0.341	3	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:4:3:1:	3:2:3:	C[5,5]-4:C[5]-3:H-1:	C[3x5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:C-3:	C[5](C[5,5]C[3x5]C[5]H)(C[5]O[5]C)(H)	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]C[6a]C[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[5,5]H)(O[5]C[3x5])(COO)	C[5](C[5,5]C[3x5]C[5]H)(C[5]O[5]C)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]C[6a]C[5]H)(C[5]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,5]H)(O[5]C[3x5])(COO){1|C<3>,1|H<1>,2|C<4>}	108.8290	0.000	1	108.8290	0.000	1	108.8290	0.000	1	108.8290	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:4:3:1:	3:2:4:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:C-4:	C[5](C[5,5]C[5,5]2H)(C[5]O[5]C)(H)	C[5,5](C[5,5]C[5]2N[5])(C[5,5]O[5]2C)(C[5]C[5]H)(H)	C[5](C[5]C[5,5]H)(O[5]C[5,5])(CH3)	C[5](C[5,5]C[5,5]2H)(C[5]O[5]C)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>}	C[5,5](C[5,5]C[5]2N[5])(C[5,5]O[5]2C)(C[5]C[5]H)(H){1|C<3>,1|O<1>,1|S<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]H)(O[5]C[5,5])(CH3){1|H<1>,1|O<2>,2|C<4>}	110.2100	0.000	1	110.2100	0.000	1	110.2100	0.000	1	110.2100	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:4:3:1:	3:3:1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)	C[5](C[5]C[5,5]H)(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]H)(H){1|O<1>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H){1|O<1>,4|C<4>,4|H<1>}	C[5](C[5]C[5,5]H)(C[5]C[5,5]O)(H){2|C<4>,2|H<1>}	113.7600	0.000	1	113.7600	0.000	1	113.7600	0.000	1	109.7708	7.997	12	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:4:3:1:	3:3:1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5,5]H)(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H){1|O<1>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]H)(C[5]C[5,5]O)(H){2|C<4>,2|H<1>}	114.0350	0.000	1	114.0350	0.000	1	114.0660	0.002	2	109.7708	7.997	12	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:4:3:1:	3:3:1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HO)(C[5]C[5]H)(H)	C[5](C[5]C[5,5]H)(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HO)(C[5]C[5]H)(H){1|O<1>,3|H<1>}	C[5](C[5]C[5,5]H)(C[5]C[5,5]O)(H){1|C<3>,1|C<4>,2|H<1>}	114.0970	0.000	1	114.0970	0.000	1	114.0660	0.002	2	109.7708	7.997	12	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:4:3:1:	3:3:1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]H)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[5,5]H)(N[5]C[5,5]S)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]H)(H){1|S<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]H)(H){1|O<2>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]H)(N[5]C[5,5]S)(H){1|C<3>,1|C<4>,2|H<1>}	111.8570	0.000	1	111.8570	0.000	1	111.8570	0.000	1	109.7708	7.997	12	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:4:3:1:	3:3:1:	C[5,5]-4:C[5]-3:O-1:	C[5,5,6]-4:C[5]-4:C[5]-3:H-1:	C[5,6]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]H)(O)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]C[5]O)(H)	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]H)(O){1|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]C[5]O)(H){1|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]O)(H){1|H<1>,3|C<3>,3|C<4>}	108.8080	0.105	2	108.8080	0.011	2	108.8080	0.011	2	109.7708	7.997	12	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:4:3:1:	3:3:1:	C[5,5]-4:C[5]-3:O-1:	C[5,5]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]H)(O)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)	C[5](C[5]C[5,5]H)(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]H)(O){3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H){4|H<1>,5|C<4>}	C[5](C[5]C[5,5]H)(C[5]C[5,5]O)(H){2|C<4>,2|H<1>}	107.2540	0.000	1	107.2540	0.000	1	107.2540	0.000	1	109.7708	7.997	12	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:4:3:1:	3:3:1:	C[5,5]-4:C[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(O)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]C[5]O)(H)	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(O){3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]C[5]O)(H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(H){2|C<4>,2|H<1>}	107.9417	0.506	4	107.9417	0.256	4	107.7262	0.425	5	109.7708	7.997	12	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:4:3:1:	3:3:1:	C[5,5]-4:C[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(O)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CC)(C[5]C[5]O)(H)	C[5](C[5]C[5,5]H)(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(O){2|H<1>,4|C<4>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CC)(C[5]C[5]O)(H){1|C<3>,5|H<1>}	C[5](C[5]C[5,5]H)(C[5]C[5,5]O)(H){2|C<4>,2|H<1>}	106.8640	0.000	1	106.8640	0.000	1	107.7262	0.425	5	109.7708	7.997	12	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5])(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HN)(C[5]C[5]H)(H)	C[5](C[5]C[5,5]H)(C[6a]C[6a]2)(N[5]C[5,5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5])(H){1|N<3>,2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HN)(C[5]C[5]H)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5,5]H)(C[6a]C[6a]2)(N[5]C[5,5]C){1|C<4>,3|C<3>,4|H<1>}	112.7090	0.000	1	112.7090	0.000	1	112.7090	0.000	1	110.0800	7.016	4	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:C-3:	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]C)(H)	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[5,5]H)(N[5]C[5,5]S)(COO)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]C)(H){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5]H)(H){1|S<4>,3|H<1>,6|C<3>}	C[5](C[5]C[5,5]H)(N[5]C[5,5]S)(COO){1|C<3>,1|H<1>,2|C<4>}	111.9960	0.000	1	111.9960	0.000	1	111.9960	0.000	1	110.0800	7.016	4	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5]-4:C[5]-3:O-1:	C[3x5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[6a]C[5])(O)	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]O[5]CC)(C[5]C[5]O)(H)	C[5](C[5]C[3x5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[6a]C[5])(O){1|C<4>,2|O<2>,5|C<3>}	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]O[5]CC)(C[5]C[5]O)(H){1|H<1>,4|C<3>}	C[5](C[5]C[3x5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	108.0700	0.000	1	108.0700	0.000	1	108.0700	0.000	1	110.0800	7.016	4	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5]-4:C[5]-3:O-1:	P[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]P[5]H)(C[5]C[6a]C[5])(O)	C[5,5](P[5]C[6a]C[5]W)(C[5,5]C[5]2C)(C[5]C[5]O)(H)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]P[5]H)(C[5]C[6a]C[5])(O){1|C<4>,1|W<6>,6|C<3>}	C[5,5](P[5]C[6a]C[5]W)(C[5,5]C[5]2C)(C[5]C[5]O)(H){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2){1|C<4>,1|P<4>,3|H<1>,5|C<3>}	107.5450	0.000	1	107.5450	0.000	1	107.5450	0.000	1	110.0800	7.016	4	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5]-4:C[5]-3:H-1:	C[3,5,5]-4:C[5]-4:C[5]-3:H-1:	C[3,5]-4:C[5]-3:H-1:	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]H)(H)	C[5,5](C[3,5,5]C[3,5,5,6]C[3,5]O)(C[5]C[5,5,6]HH)(C[5]C[5]H)(H)	C[5](C[3,5]C[3,5,5,6]C[3,5,5]H)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]H)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,5](C[3,5,5]C[3,5,5,6]C[3,5]O)(C[5]C[5,5,6]HH)(C[5]C[5]H)(H){2|C<4>,3|H<1>}	C[5](C[3,5]C[3,5,5,6]C[3,5,5]H)(C[5]C[5,5]H)(H){1|H<1>,1|O<2>,3|C<4>}	111.6380	0.082	2	111.6380	0.007	2	111.6380	0.007	2	113.2991	3.341	15	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5]-4:C[5]-3:H-1:	C[3x5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]H)(H)	C[5,5](C[3x5]C[4x5]C[5,5]O)(C[5]C[5,5]HH)(C[5]C[5]H)(H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]H)(H){1|O<2>,3|C<4>,3|H<1>}	C[5,5](C[3x5]C[4x5]C[5,5]O)(C[5]C[5,5]HH)(C[5]C[5]H)(H){3|H<1>,4|C<4>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]H)(H){1|O<2>,3|C<4>,3|H<1>}	113.0120	0.697	2	113.0120	0.486	2	113.0120	0.486	2	113.2991	3.341	15	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5]-4:C[5]-3:H-1:	C[3x5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]H)(H)	C[5,5](C[3x5]C[3x5]C[5]2)(C[5]C[5,5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[3x5]HH)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]H)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,5](C[3x5]C[3x5]C[5]2)(C[5]C[5,5]HH)(C[5]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[3x5]HH)(C[5]C[5,5]H)(H){1|C<3>,1|H<1>,2|C<4>}	112.6700	1.021	2	112.6700	1.043	2	112.6700	1.043	2	113.2991	3.341	15	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,5]2H)(C[5]C[5,5]H)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]2)(C[5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]2)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[5,5]2H)(C[5]C[5,5]H)(H){1|H<1>,2|C<3>,4|O<2>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]2)(C[5]C[5]H)(H){2|C<4>,2|O<2>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]2)(C[5]C[5,5]H)(H){1|C<3>,2|H<1>,3|C<4>}	113.1790	0.030	2	113.1790	0.001	2	113.1790	0.001	2	113.2991	3.341	15	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5,5]HN)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H){1|N<3>,2|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]HN)(C[5]C[5,5]H)(H){1|C<3>,1|C<4>,2|H<1>}	113.6840	0.000	1	113.6840	0.000	1	112.7192	0.658	5	113.2991	3.341	15	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H){3|C<4>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]HH)(C[5]C[5]H)(H){1|C<4>,2|O<2>,4|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]H)(H){2|C<4>,2|H<1>}	112.7185	0.312	2	112.7185	0.097	2	112.7192	0.658	5	113.2991	3.341	15	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H){1|N<3>,2|C<4>,4|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(C[5]C[5]H)(H){1|S<4>,5|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H){1|C<4>,1|N<3>,2|H<1>}	112.9930	0.000	1	112.9930	0.000	1	112.7192	0.658	5	113.2991	3.341	15	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H){2|C<4>,2|O<2>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]HH)(C[5]C[5]H)(H){1|C<4>,4|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]H)(H){1|C<4>,1|H<1>,2|O<2>}	111.4820	0.000	1	111.4820	0.000	1	112.7192	0.658	5	113.2991	3.341	15	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	S[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]H)(H)	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]CO)(C[5]C[5]H)(H)	C[5](S[5]C[5,5]OO)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|O<1>}	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]CO)(C[5]C[5]H)(H){1|C<4>,2|O<1>,4|H<1>}	C[5](S[5]C[5,5]OO)(C[5]C[5,5]H)(H){2|C<4>,2|H<1>}	117.3700	0.000	1	117.3700	0.000	1	117.3700	0.000	1	113.2991	3.341	15	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5]-4:C[5]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	S[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]S[5]H)(H)	C[5,5](C[5,6]C[5,6]C[6]O)(C[5,5]C[5]S[5]H)(C[5]C[5]H)(H)	C[5](S[5]C[5,5]OO)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]S[5]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|O<1>}	C[5,5](C[5,6]C[5,6]C[6]O)(C[5,5]C[5]S[5]H)(C[5]C[5]H)(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[5](S[5]C[5,5]OO)(C[5]C[5,5]H)(H){2|C<4>,2|H<1>}	117.5230	0.000	1	117.5230	0.000	1	117.5230	0.000	1	113.2991	3.341	15	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:4:3:1:	4:3:2:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:O-2:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(OS)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(H){2|C<4>,5|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]H)(H){1|C<4>,2|O<2>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(OS){2|C<4>,2|H<1>}	110.2540	0.000	1	110.2540	0.000	1	110.2540	0.000	1	110.2540	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5]-3:H-1:	B[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	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)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(CCN)	C[5](C[5,5]C[5,5]B[5]H)(C[5]C[5]C)(H){3|H<1>,4|C<3>}	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>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(CCN){1|B<4>,1|C<3>,2|H<1>}	113.7415	0.452	2	113.7415	0.204	2	113.7415	0.204	2	112.1521	4.513	8	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5]-3:H-1:	C[3x5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]C)(H)	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]H)(COO)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]C)(H){3|H<1>,4|C<4>}	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]H)(H){2|C<3>,4|C<4>,4|H<1>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]H)(COO){3|H<1>,4|C<4>}	112.3320	0.000	1	112.3320	0.000	1	112.3320	0.000	1	112.1521	4.513	8	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HO)(C[5]C[5]H)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]H)(COO)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HO)(C[5]C[5]H)(H){3|C<3>,3|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]H)(COO){2|C<3>,2|C<4>,2|H<1>}	111.4860	0.000	1	111.4860	0.000	1	112.7375	3.133	2	112.1521	4.513	8	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(H)	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[6a]C[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]H)(COO)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(H){1|H<1>,2|C<2>,2|C<3>,2|C<4>}	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[6a]C[5]H)(C[5]C[5]H)(H){2|C<2>,3|H<1>,6|C<3>}	C[5](C[5]C[5,5]CC)(C[5]C[5,5]H)(COO){1|C<3>,1|H<1>,2|C<4>}	113.9890	0.000	1	113.9890	0.000	1	112.7375	3.133	2	112.1521	4.513	8	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(H){4|C<3>,5|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]H)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	113.7230	0.000	1	113.7230	0.000	1	113.7230	0.000	1	112.1521	4.513	8	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(O)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(C[5]C[5]O)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(CC[6a]N)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(O){1|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(C[5]C[5]O)(H){1|H<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(CC[6a]N){1|C<4>,2|H<1>,3|C<3>}	108.2630	0.000	1	108.2630	0.000	1	109.1020	1.408	2	112.1521	4.513	8	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(O)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]C[5]O)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(CC[6a]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(O){1|C<3>,2|N<3>,4|H<1>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]C[5]O)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(CC[6a]H){1|C<4>,1|N<3>,2|H<1>}	109.9410	0.000	1	109.9410	0.000	1	109.1020	1.408	2	112.1521	4.513	8	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:4:3:1:	4:3:4:	C[5,5]-4:C[5]-3:H-1:	C[3x5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]C)(H)	C[5,5](C[3x5]C[5,5,6]C[5,5]H)(C[5]C[5,6]HH)(C[5]C[5]H)(H)	C[5](C[5,5]C[3,5]C[3x5]H)(C[5]C[5,5]H)(CH3)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]C)(H){3|C<4>,4|H<1>}	C[5,5](C[3x5]C[5,5,6]C[5,5]H)(C[5]C[5,6]HH)(C[5]C[5]H)(H){3|H<1>,4|C<4>}	C[5](C[5,5]C[3,5]C[3x5]H)(C[5]C[5,5]H)(CH3){3|H<1>,4|C<4>}	114.3620	0.000	1	114.3620	0.000	1	114.3620	0.000	1	114.3620	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:4:3:2:	3:3:1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(C[5]C[5]H)(O[5]C[5])	C[5](C[5]C[5,5]H)(C[5]O[5]O)(H)	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]H)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(C[5]C[5]H)(O[5]C[5]){1|C<3>,1|O<1>,2|O<2>,5|H<1>}	C[5](C[5]C[5,5]H)(C[5]O[5]O)(H){2|C<4>}	108.4890	0.000	1	108.4890	0.000	1	108.4890	0.000	1	108.4890	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:4:3:2:	3:3:3:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:O-2:	C[5]-3:C[5]-3:N-3:	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]N)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]H)(OH)	C[5](C[5]C[5,5]C)(C[5]C[5,5]H)(NCS)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]N)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]H)(OH){1|C<3>,1|N<3>,4|H<1>}	C[5](C[5]C[5,5]C)(C[5]C[5,5]H)(NCS){1|H<1>,1|O<2>,2|C<4>}	111.9110	0.000	1	111.9110	0.000	1	111.9110	0.000	1	111.9110	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:4:3:2:	3:3:4:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:O-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]2O)(C[5]C[5]C)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]H)(OH)	C[5](C[5]C[5,5]H)(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,5]2O)(C[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]H)(OH){1|O<1>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5]H)(C[5]C[5,5]O)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	114.5070	0.000	1	114.5070	0.000	1	114.5070	0.000	1	114.5070	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:4:3:2:	4:3:1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5]-3:O[5]-2:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,5]C[5,6]O[5])(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]2)(C[5]C[5]H)(O[5]C[5])	C[5](C[5]C[5,6]O[5]H)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[5,5]C[5,6]O[5])(C[5]C[5]H)(H){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]2)(C[5]C[5]H)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C[5](C[5]C[5,6]O[5]H)(C[5]C[5,5]H)(H){1|C<3>,1|O<2>,3|C<4>}	107.2350	0.000	1	107.2350	0.000	1	107.2350	0.000	1	108.7345	0.771	6	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:4:3:2:	4:3:1:	C[5,5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]H)(H)	C[5,5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(C[5]C[5]H)(O[5]C[5])	C[5](C[5]C[6]O[5]H)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]H)(H){2|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(C[5]C[5]H)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|O<2>,5|H<1>}	C[5](C[5]C[6]O[5]H)(C[5]C[5,5]H)(H){1|C<3>,1|O<2>,3|C<4>}	108.6665	0.757	2	108.6665	0.574	2	108.6665	0.574	2	108.7345	0.771	6	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:4:3:2:	4:3:1:	C[5,5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(H)	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]C[5]H)(O[5]C[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(H){1|C<3>,3|C<4>,4|H<1>}	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]C[5]H)(O[5]C[5]){1|C<3>,6|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]H)(H){2|C<3>,2|C<4>}	109.3170	0.000	1	109.2797	0.066	3	109.2797	0.066	3	108.7345	0.771	6	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:4:3:2:	4:3:1:	C[5,5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(H)	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]C[5]H)(O[5]C[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(H){1|C<3>,3|C<4>,4|H<1>}	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]C[5]H)(O[5]C[5]){1|C<4>,6|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]H)(H){1|H<1>,2|C<3>,2|C<4>}	109.5150	0.000	1	109.2797	0.066	3	109.2797	0.066	3	108.7345	0.771	6	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:4:3:2:	4:3:1:	C[5,5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(H)	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]C[5]H)(O[5]C[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(H){4|C<4>,4|H<1>}	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]C[5]H)(O[5]C[5]){1|C<4>,6|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]H)(H){1|C<3>,1|H<1>,3|C<4>}	109.0070	0.000	1	109.2797	0.066	3	109.2797	0.066	3	108.7345	0.771	6	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:4:3:3:	3:2:1:	C[5,5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-3:O[5]-2:H-1:	C[5](C[5,5]C[5,6]C[5]2)(C[5]O[5]H)(H)	C[5,5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HO)(C[5]C[5]H)(C[5]O[5]O)	C[5](C[5]C[5,5]H)(O[5]C[5])(H)	C[5](C[5,5]C[5,6]C[5]2)(C[5]O[5]H)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	C[5,5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HO)(C[5]C[5]H)(C[5]O[5]O){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]C[5,5]H)(O[5]C[5])(H){1|O<1>,2|C<4>}	108.4190	0.059	2	108.4190	0.004	2	108.4190	0.004	2	108.4190	0.004	2	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:4:3:3:	3:3:1:	C[5,5]-4:C[5]-3:O-1:	C[5,6]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]H)(O)	C[5,5](C[5,6]C[5]O[6]2)(C[5]C[5]HO)(C[5]C[5]O)2	C[5](C[5]C[5,5]O)(C[5]C[5]O)(H)	C[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]H)(O){1|H<1>,1|O<1>,2|C<4>,4|O<2>}	C[5,5](C[5,6]C[5]O[6]2)(C[5]C[5]HO)(C[5]C[5]O)2{2|C<3>,2|O<2>,4|H<1>}	C[5](C[5]C[5,5]O)(C[5]C[5]O)(H){1|O<1>,2|C<4>}	109.6380	0.000	1	109.6380	0.000	1	109.6380	0.000	1	109.6380	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:4:3:3:	3:3:2:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C-3:	C[5]-3:C[6a]-3:O[5]-2:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]O[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]H)(COO)	C[5](C[5]C[5,5]H)(C[6a]C[6a]2)(O[5]C[5,5])	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]O[5])(H){3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]H)(COO){1|H<1>,2|C<3>}	C[5](C[5]C[5,5]H)(C[6a]C[6a]2)(O[5]C[5,5]){1|C<4>,3|H<1>,4|C<3>}	110.4930	0.000	1	110.4930	0.000	1	110.4930	0.000	1	108.8350	5.498	2	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:4:3:3:	3:3:2:	C[5,5]-4:C[5]-3:O-1:	C[5,6]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:O-2:	C[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]O)(O)	C[5,5](C[5,6]C[5]O[6]2)(C[5]C[5]HO)(C[5]C[5]O)2	C[5](C[5]C[5,5]O)(C[5]C[5]H)(OC)	C[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]O)(O){1|O<1>,2|C<4>,2|H<1>,3|O<2>}	C[5,5](C[5,6]C[5]O[6]2)(C[5]C[5]HO)(C[5]C[5]O)2{2|C<3>,2|O<2>,4|H<1>}	C[5](C[5]C[5,5]O)(C[5]C[5]H)(OC){1|O<1>,2|C<4>}	107.1770	0.000	1	107.1770	0.000	1	107.1770	0.000	1	108.8350	5.498	2	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:4:3:3:	3:3:3:	C[5,5]-4:C[5]-3:O-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,5]C[5]3)(C[5]C[5]C)(O)	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]C[5]H)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(C[5]C[5,5]O)(COO)	C[5](C[5,5]C[5]3)(C[5]C[5]C)(O){2|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]C[5]H)(C[5]C[5]O){2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5,5]O)(COO){1|H<1>,2|C<4>,3|C<3>}	107.6570	0.000	1	107.6570	0.000	1	107.6570	0.000	1	107.4980	0.051	2	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:4:3:3:	3:3:3:	C[5,5]-4:C[5]-3:O-1:	C[5]-4:C[5]-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]C)(O)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(C[5]C[5,5]O)(CC[6a]O)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]C)(O){1|C<4>,3|H<1>,4|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[5]C[5]O){6|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5,5]O)(CC[6a]O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	107.3390	0.000	1	107.3390	0.000	1	107.3390	0.000	1	107.4980	0.051	2	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:4:3:3:	3:3:4:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]C)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(C[5]C[5]H)(CCO)	C[5](C[5]C[5,5]H)(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(C[5]C[5]H)(CCO){1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5,5]H)(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,2|C<3>}	114.0540	0.000	1	114.0540	0.000	1	114.0540	0.000	1	114.0540	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:4:3:3:	3:4:1:	C[5,5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[5,5]C[5]3)(C[5]C[5]H)(H)	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]C[5]H)(C[5]C[5]O)	C[5](C[5]C[5,5]H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5]3)(C[5]C[5]H)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]C[5]H)(C[5]C[5]O){2|C<3>,3|H<1>}	C[5](C[5]C[5,5]H)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,2|H<1>}	112.5200	0.000	1	112.5200	0.000	1	111.0790	4.153	2	111.0790	4.153	2	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:4:3:3:	3:4:1:	C[5,5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[5,5]C[5]3)(C[5]C[5]H)(H)	C[5,5](C[5]C[5]HH)(C[5]N[5]HH)(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[5,5]H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5]3)(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[5,5](C[5]C[5]HH)(C[5]N[5]HH)(C[5]C[5]C)(C[5]C[5]H){1|S<4>,5|H<1>}	C[5](C[5]C[5,5]H)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,2|H<1>}	109.6380	0.000	1	109.6380	0.000	1	111.0790	4.153	2	111.0790	4.153	2	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:4:3:3:	3:4:2:	C[5,5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-2:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]O)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]C[5]H)(N[5]C[5]C)	C[5](C[5]C[5,5]H)(C[5]C[5]HO)(OC)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]O)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]C[5]H)(N[5]C[5]C){2|C<3>,2|O<2>,5|H<1>}	C[5](C[5]C[5,5]H)(C[5]C[5]HO)(OC){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	112.2330	0.853	2	112.2330	0.727	2	112.2330	0.727	2	112.2330	0.727	2	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:4:3:3:	3:4:4:	C[5,5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-4:C-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]C)(H)	C[5,5](C[5]C[5]HH)2(C[5]C[5]H)(N[5]C[5]C)	C[5](C[5]C[5,5]H)(C[5]C[5]HH)(CH3)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]C)(H){3|C<4>,6|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]C[5]H)(N[5]C[5]C){1|C<4>,6|H<1>}	C[5](C[5]C[5,5]H)(C[5]C[5]HH)(CH3){1|C<4>,1|N<3>,2|H<1>}	113.5280	0.000	1	113.5280	0.000	1	113.5280	0.000	1	113.5280	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:4:3:3:	4:3:1:	C[5,5]-4:C[5]-3:H-1:	C[3x5,6]-4:C[5]-4:C[5]-3:C-3:	C[5,5,6]-4:C[5]-3:H-1:	C[5](C[5,5]C[3x5,6]C[5]C)(C[5]C[5,5,6]H)(H)	C[5,5](C[3x5,6]C[5,5,6]O[5,6]C[5])(C[5]C[5,6]HO)(C[5]C[5]H)(CCO)	C[5](C[5,5,6]C[3x5,6]C[6]O[5])(C[5]C[5,5]H)(H)	C[5](C[5,5]C[3x5,6]C[5]C)(C[5]C[5,5,6]H)(H){1|C<3>,1|H<1>,2|C<4>,3|O<2>}	C[5,5](C[3x5,6]C[5,5,6]O[5,6]C[5])(C[5]C[5,6]HO)(C[5]C[5]H)(CCO){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5](C[5,5,6]C[3x5,6]C[6]O[5])(C[5]C[5,5]H)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	113.0560	0.037	2	113.0560	0.001	2	113.0560	0.001	2	113.0560	0.001	2	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:4:3:4:	3:3:2:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C[5]-3:C[6a]-3:O[5]-2:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]O[5])(H)	C[5,5](C[5,5]C[5]O[5]C)(C[5]N[5]HH)(C[5]C[5]H)(CH3)	C[5](C[5]C[5,5]H)(C[6a]C[6a]2)(O[5]C[5,5])	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]O[5])(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5]O[5]C)(C[5]N[5]HH)(C[5]C[5]H)(CH3){1|C<3>,1|S<4>,2|H<1>}	C[5](C[5]C[5,5]H)(C[6a]C[6a]2)(O[5]C[5,5]){2|H<1>,3|C<3>,3|C<4>}	113.0940	0.000	1	113.0940	0.000	1	113.0940	0.000	1	109.8135	21.523	2	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:4:3:4:	3:3:2:	C[5,5]-4:C[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:O-2:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]O)(O)	C[5,5](C[5,5]C[5]2O)(C[5]O[5]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(OS)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]O)(O){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]C[5]2O)(C[5]O[5]HH)(C[5]C[5]O)(CH3){1|C<3>,1|O<2>,2|C<4>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(OS){1|O<2>,2|C<3>,3|C<4>}	106.5330	0.000	1	106.5330	0.000	1	106.5330	0.000	1	109.8135	21.523	2	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:4:3:4:	4:3:1:	C[5,5]-4:C[5]-3:H-1:	C[4,3x5]-4:C[5]-4:C[5]-3:C-4:	C[4,5]-4:C[5]-3:H-1:	C[5](C[5,5]C[4,3x5]C[5]C)(C[5]C[4,5]H)(H)	C[5,5](C[4,3x5]C[4,5]2C[5,5])(C[5]C[5]HH)(C[5]C[5]H)(CCHH)	C[5](C[4,5]C[4,3x5]C[4]H)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[4,3x5]C[5]C)(C[5]C[4,5]H)(H){3|H<1>,4|C<4>}	C[5,5](C[4,3x5]C[4,5]2C[5,5])(C[5]C[5]HH)(C[5]C[5]H)(CCHH){3|C<4>,6|H<1>}	C[5](C[4,5]C[4,3x5]C[4]H)(C[5]C[5,5]H)(H){2|H<1>,4|C<4>}	110.2230	0.000	1	110.2230	0.000	1	110.2230	0.000	1	111.8727	2.579	3	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:4:3:4:	4:3:1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CC)(C[5]C[5]H)(CH3)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]H)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CC)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H){1|H<1>,3|C<4>}	111.9640	0.000	1	111.9640	0.000	1	111.9640	0.000	1	111.8727	2.579	3	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:4:3:4:	4:3:1:	C[5,5]-4:C[5]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]H)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]H)(CH3)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]H)(H){1|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]H)(CH3){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[5,5]CC)(C[5]C[5,5]H)(H){1|C<3>,1|H<1>,2|C<4>}	113.4310	0.000	1	113.4310	0.000	1	113.4310	0.000	1	111.8727	2.579	3	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:4:3:4:	4:3:3:	C[5,5]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:C-4:	C[5,6]-4:C[5]-3:C-3:	C[5](C[5,5]C[5,5,6]C[5]C)(C[5]C[5,6]C)(H)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(C[5]C[5]H)(CH3)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]H)(CHN)	C[5](C[5,5]C[5,5,6]C[5]C)(C[5]C[5,6]C)(H){3|H<1>,4|C<4>}	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(C[5]C[5]H)(CH3){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]H)(CHN){3|H<1>,4|C<4>}	113.6900	0.000	1	113.6900	0.000	1	113.6900	0.000	1	113.6900	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:4:4:3:	3:2:3:	C[5,5]-4:C[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-3:S[5]-2:C-3:	C[5](C[5,5]C[5,5]C[5]2)(C[5]S[5]C)(O)	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5]S[5]HH)(C[5]C[5]O)	C[5](C[5]C[5,5]O)(S[5]C[5])(CC[6a]H)	C[5](C[5,5]C[5,5]C[5]2)(C[5]S[5]C)(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5]S[5]HH)(C[5]C[5]O){1|H<1>,1|N<3>,1|O<1>,2|C<4>,5|C<3>}	C[5](C[5]C[5,5]O)(S[5]C[5])(CC[6a]H){2|C<4>,2|H<1>}	111.6030	0.000	1	111.6030	0.000	1	111.6030	0.000	1	111.6030	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:4:4:3:	3:3:1:	C[5,5]-4:C[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,5]C[5,5]C[5]2)(C[5]N[5]O)(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5]HH)(C[5]C[5]O)	C[5](C[5]C[5,5]O)(N[5]C[5]C)(O)	C[5](C[5,5]C[5,5]C[5]2)(C[5]N[5]O)(O){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5]HH)(C[5]C[5]O){1|N<3>,2|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[5](C[5]C[5,5]O)(N[5]C[5]C)(O){2|C<4>,2|H<1>}	108.8845	0.681	2	108.8845	0.464	2	108.8845	0.464	2	109.1077	0.381	3	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:4:4:3:	3:3:1:	C[5,5]-4:C[5]-3:O-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,5]C[5]3)(C[5]N[5]O)(O)	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(C[5]N[5]HH)(C[5]C[5]O)	C[5](C[5]C[5,5]O)(N[5]C[5]C)(O)	C[5](C[5,5]C[5]3)(C[5]N[5]O)(O){1|C<3>,3|C<4>,5|H<1>}	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(C[5]N[5]HH)(C[5]C[5]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,5]O)(N[5]C[5]C)(O){2|C<4>,2|H<1>}	109.5540	0.000	1	109.5540	0.000	1	109.5540	0.000	1	109.1077	0.381	3	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:4:4:3:	3:3:3:	C[5,5]-4:C[5]-3:O-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,5]C[5]3)(C[5]C[5]C)(O)	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)2(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(C[5]C[5,5]O)(COO)	C[5](C[5,5]C[5]3)(C[5]C[5]C)(O){1|C<3>,3|C<4>,5|H<1>}	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)2(C[5]C[5]O){2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5,5]O)(COO){1|H<1>,2|C<3>,3|C<4>}	108.2330	0.000	1	108.2330	0.000	1	108.2330	0.000	1	108.2330	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:1:	4:4:4:3:	3:4:3:	C[5,5]-4:C[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:C-3:	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]C)(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5,5]O)(C[5]C[5]HH)(CC[6a]H)	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]C)(O){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	C[5](C[5]C[5,5]O)(C[5]C[5]HH)(CC[6a]H){2|C<4>,2|H<1>}	109.1875	0.046	2	109.1875	0.002	2	109.1875	0.002	2	109.1875	0.002	2	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:2:	3:2:3:3:	3:3:3:	C[5,5]-4:C[5]-3:C-2:	C[5]-3:O[5]-2:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:N-3:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]N)(CN)	C[5,5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]C)2	C[5](C[5]C[5,5]C)(C[5]C[5]C)(NCH)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]N)(CN){1|O<1>,4|C<3>}	C[5,5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]C)2{1|N<3>,3|C<3>}	C[5](C[5]C[5,5]C)(C[5]C[5]C)(NCH){1|O<2>,2|C<3>}	109.5810	0.000	1	109.5810	0.000	1	109.5810	0.000	1	109.5810	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:2:	3:3:2:4:	3:3:1:	C[5,5]-4:C[5]-3:O-2:	N[5,5]-3:C[5]-3:O[5]-2:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]N[5,5]O[5]C)(C[5]C[5]H)(OC)	C[5,5](N[5,5]C[5]2)(C[5]C[5]O)(O[5]C[5])(CH3)	C[5](C[5]C[5,5]O)(C[5]N[5,5]O)(H)	C[5](C[5,5]N[5,5]O[5]C)(C[5]C[5]H)(OC){1|O<1>,2|C<4>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]O)(O[5]C[5])(CH3){1|C<3>,1|O<1>,4|H<1>}	C[5](C[5]C[5,5]O)(C[5]N[5,5]O)(H){1|O<2>,2|C<4>}	110.9410	0.000	1	110.9410	0.000	1	110.9410	0.000	1	110.9410	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:2:	3:4:3:1:	3:3:3:	C[5,5]-4:C[5]-3:O-2:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]C)(OH)	C[5,5](N[5,5]C[5]2)(C[5]S[5]HH)(C[5]C[5]O)(H)	C[5](C[5]C[5,5]O)(C[5]N[5,5]O)(CNO)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]C)(OH){1|C<4>,1|O<1>,1|S<2>,2|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]S[5]HH)(C[5]C[5]O)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,5]O)(C[5]N[5,5]O)(CNO){1|H<1>,2|C<4>}	110.6850	0.000	1	110.6850	0.000	1	110.6850	0.000	1	110.6850	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:2:	3:4:3:1:	4:3:1:	C[5,5]-4:C[5]-3:C-2:	C[5,6a]-3:C[3x5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[3x5]H)(C[5]C[5,5]H)(CN)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(C[5]C[5]C)(H)	C[5](C[5,5]C[5,6a]C[3x5]H)(C[5]C[5,5]C)(H)	C[5](C[5,5]C[5,6a]C[3x5]H)(C[5]C[5,5]H)(CN){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(C[5]C[5]C)(H){4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[3x5]H)(C[5]C[5,5]C)(H){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	114.1600	0.000	1	114.1600	0.000	1	114.1600	0.000	1	114.1600	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:2:	3:4:3:3:	3:2:1:	C[5,5]-4:C[5]-3:C-2:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-3:O[5]-2:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]O[5]H)(CN)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5]C[5,5]C)(O[5]C[5])(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]O[5]H)(CN){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]C)(O[5]C[5])(H){1|C<4>,3|C<3>}	110.2550	0.000	1	110.2550	0.000	1	110.2550	0.000	1	110.2550	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:2:	3:4:3:3:	3:2:3:	C[5,5]-4:C[5]-3:C-2:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-3:O[5]-2:N-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]O[5]N)(CN)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5]C[5,5]C)(O[5]C[5])(NHH)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]O[5]N)(CN){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(C[5]C[5]C)(C[5]N[5]O){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]C)(O[5]C[5])(NHH){1|H<1>,3|C<3>}	109.8828	0.275	4	109.8828	0.076	4	109.8828	0.076	4	109.8828	0.076	4	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:2:	3:4:3:3:	3:3:1:	C[5,5]-4:C[5]-3:C-2:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(CN)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5]C[5,5]C)(C[5]C[5]H)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(CN){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5,5]C)(C[5]C[5]H)(H){1|H<1>,3|C<3>}	112.7860	0.000	1	112.7860	0.000	1	112.7860	0.000	1	112.6876	0.038	5	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:2:	3:4:3:3:	3:3:1:	C[5,5]-4:C[5]-3:O-2:	N[5,5]-3:C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]H)(OS)	C[5,5](N[5,5]C[5]2)(C[5]O[5]CH)(C[5]C[5]O)(COO)	C[5](C[5]C[5,5]O)(C[5]N[5,5]O)(H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]H)(OS){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,5](N[5,5]C[5]2)(C[5]O[5]CH)(C[5]C[5]O)(COO){1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,5]O)(C[5]N[5,5]O)(H){1|C<3>,2|C<4>}	112.5350	0.000	1	112.5350	0.000	1	112.6630	0.047	4	112.6876	0.038	5	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:2:	3:4:3:3:	3:3:1:	C[5,5]-4:C[5]-3:O-2:	N[5,5]-3:C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]H)(OS)	C[5,5](N[5,5]C[5]2)(C[5]O[5]HH)(C[5]C[5]O)(COO)	C[5](C[5]C[5,5]O)(C[5]N[5,5]O)(H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]H)(OS){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]O[5]HH)(C[5]C[5]O)(COO){1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,5]O)(C[5]N[5,5]O)(H){1|C<3>,2|C<4>}	112.6580	0.000	1	112.6580	0.000	1	112.6630	0.047	4	112.6876	0.038	5	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:2:	3:4:3:3:	3:3:1:	C[5,5]-4:C[5]-3:O-2:	N[5,5]-3:C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]H)(OS)	C[5,5](N[5,5]C[5]2)(C[5]S[5]HH)(C[5]C[5]O)(COO)	C[5](C[5]C[5,5]O)(C[5]N[5,5]O)(H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]H)(OS){1|C<4>,1|O<1>,1|S<3>,2|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]S[5]HH)(C[5]C[5]O)(COO){1|C<4>,2|H<1>,2|O<1>}	C[5](C[5]C[5,5]O)(C[5]N[5,5]O)(H){1|C<3>,2|C<4>}	112.9690	0.000	1	112.7295	0.115	2	112.6630	0.047	4	112.6876	0.038	5	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:2:	3:4:3:3:	3:3:1:	C[5,5]-4:C[5]-3:O-2:	N[5,5]-3:C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]H)(OS)	C[5,5](N[5,5]C[5]2)(C[5]S[5]HH)(C[5]C[5]O)(COO)	C[5](C[5]C[5,5]O)(C[5]N[5,5]O)(H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]H)(OS){1|C<4>,1|O<1>,1|S<4>,2|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]S[5]HH)(C[5]C[5]O)(COO){1|C<4>,2|H<1>,3|O<1>}	C[5](C[5]C[5,5]O)(C[5]N[5,5]O)(H){1|C<3>,2|C<4>}	112.4900	0.000	1	112.7295	0.115	2	112.6630	0.047	4	112.6876	0.038	5	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:2:	3:4:3:3:	3:3:2:	C[5,5]-4:C[5]-3:C-2:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:O[5]-2:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]O[5])(CN)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5]C[5,5]C)(C[6a]C[6a]2)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]O[5])(CN){1|N<3>,1|O<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(C[5]C[5]C)(C[5]N[5]O){2|H<1>,5|C<3>}	C[5](C[5]C[5,5]C)(C[6a]C[6a]2)(O[5]C[5]){2|H<1>,6|C<3>}	109.3255	0.779	2	109.3255	0.606	2	109.3255	0.606	2	109.8687	1.188	3	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:2:	3:4:3:3:	3:3:2:	C[5,5]-4:C[5]-3:C-2:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:N-2:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]N)(CN)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5]C[5,5]C)(N[5]C[5]S)(NH)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]N)(CN){1|N<3>,1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<2>,1|S<4>,2|C<3>}	C[5](C[5]C[5,5]C)(N[5]C[5]S)(NH){2|C<3>,2|H<1>}	110.9550	0.000	1	110.9550	0.000	1	110.9550	0.000	1	109.8687	1.188	3	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:2:	3:4:3:3:	3:3:3:	C[5,5]-4:C[5]-3:C-2:	C[5,6a]-3:C[5,5]-4:C[5]-3:C[5]-3:	N[5,5]-3:C[5]-3:N-3:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5,5]N)(CN)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(C[5]C[5]C)(C[5]N[5]O)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5,5]C)(NHH)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5,5]N)(CN){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|N<3>,3|C<3>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5,5]C)(NHH){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	110.7160	0.000	1	110.7160	0.000	1	110.7160	0.000	1	110.9050	0.071	2	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:2:	3:4:3:3:	3:3:3:	C[5,5]-4:C[5]-3:C-2:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:N-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]N)(CN)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5]C[5,5]C)(N[5]C[5]S)(NHH)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]N)(CN){1|N<3>,1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5](C[5]C[5,5]C)(N[5]C[5]S)(NHH){2|C<3>,2|H<1>}	111.0940	0.000	1	111.0940	0.000	1	111.0940	0.000	1	110.9050	0.071	2	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:2:	3:4:3:3:	4:3:1:	C[5,5]-4:C[5]-3:C-2:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(CN)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5,5]C)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(CN){1|C<2>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5,5]C)(H){1|C<2>,5|C<3>}	112.8370	0.000	1	112.8370	0.000	1	112.8370	0.000	1	112.8370	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:2:	3:4:3:3:	4:3:3:	C[5,5]-4:C[5]-3:C-2:	C[5,6a]-3:C[5,5]-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:N-3:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]N)(CN)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]C)(NHH)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]N)(CN){1|N<3>,1|O<1>,2|C<2>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(C[5]N[5]O){1|O<1>,2|C<2>,2|H<1>,2|N<3>,4|C<3>}	C[5](C[5]C[5,5]CC)(C[5]C[5,5]C)(NHH){4|C<3>}	114.6060	0.000	1	114.6060	0.000	1	114.6060	0.000	1	113.9203	0.354	3	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:2:	3:4:3:3:	4:3:3:	C[5,5]-4:C[5]-3:C-2:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:N-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]N)(CN)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5]3)(C[5]C[5,5]C)(NHH)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]N)(CN){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	C[5](C[5,5]C[5]3)(C[5]C[5,5]C)(NHH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	113.5775	0.060	2	113.5775	0.004	2	113.5775	0.004	2	113.9203	0.354	3	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:2:	3:4:3:4:	3:2:2:	C[5,5]-4:C[5]-3:C-2:	C[5,6a]-3:C[5,5]-4:C[5]-3:C-4:	C[5]-3:O[5]-2:O-2:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]O[5]O)(CN)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]C)(CC3)	C[5](C[5]C[5,5]C)(O[5]C[5,5])(OC)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]O[5]O)(CN){1|H<1>,1|N<3>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]C)(CC3){1|H<1>,1|O<2>,3|C<3>}	C[5](C[5]C[5,5]C)(O[5]C[5,5])(OC){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	109.0480	0.000	1	109.0480	0.000	1	109.0480	0.000	1	109.0480	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:2:	4:3:2:2:	3:3:1:	C[5,5]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:O[5]-2:O[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]H)(OC)	C[5,5](C[5]C[5]CH)(C[5]C[5]O)(O[5]C[5])2	C[5](C[5]C[5,5]O)(C[5]O[5]O)(H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]H)(OC){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,5](C[5]C[5]CH)(C[5]C[5]O)(O[5]C[5])2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]O)(C[5]O[5]O)(H){1|C<4>,1|O<2>}	110.7578	0.272	4	110.7578	0.074	4	110.7578	0.074	4	110.7578	0.074	4	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:2:	4:3:2:4:	4:3:1:	C[5,5]-4:C[5]-3:C-2:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]H)(CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]C)(O[5]C[5])(CCHO)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]H)(CC){1|C<4>,1|O<2>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]C)(O[5]C[5])(CCHO){2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H){1|C<4>,1|H<1>,2|O<2>}	112.9280	0.000	1	112.9280	0.000	1	112.9280	0.000	1	112.9280	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:2:	4:3:3:1:	3:2:3:	C[5,5]-4:C[5]-3:C-2:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5]-3:O[5]-2:N-3:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]N)(CN)	C[5,5](C[5,5]C[6a]O[5]2)(C[5]C[5]C)2(H)	C[5](C[5]C[5,5]C)(O[5]C[5,5])(NHH)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]N)(CN){1|O<2>,3|C<3>}	C[5,5](C[5,5]C[6a]O[5]2)(C[5]C[5]C)2(H){1|N<3>,3|C<3>}	C[5](C[5]C[5,5]C)(O[5]C[5,5])(NHH){1|H<1>,1|O<2>,2|C<3>}	109.3750	0.727	2	109.3750	0.528	2	109.3750	0.528	2	109.3750	0.528	2	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:2:	4:3:3:1:	4:3:1:	C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]H)(OSi)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]O)(N[5]C[5]S)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]H)(OSi){1|S<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]O)(N[5]C[5]S)(H){1|C<3>,4|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(H){1|N<3>,2|H<1>,3|C<3>}	111.6330	0.000	1	111.6330	0.000	1	111.6330	0.000	1	111.6330	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:2:	4:3:3:2:	3:3:4:	C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:C[5]-3:C[5]-3:O[5]-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]C)(OC)	C[5,5](C[5,5]C[5]2N[5])(C[5]C[5]O)2(O[5]C[5])	C[5](C[5]C[5,5]O)(C[5]O[5]O)(CH3)	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]C)(OC){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	C[5,5](C[5,5]C[5]2N[5])(C[5]C[5]O)2(O[5]C[5]){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	C[5](C[5]C[5,5]O)(C[5]O[5]O)(CH3){1|C<3>,1|C<4>}	111.8055	0.107	4	111.7479	0.015	7	111.7479	0.015	7	111.7479	0.015	7	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:2:	4:3:3:2:	3:3:4:	C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:C[5]-3:C[5]-3:O[5]-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]C)(OC)	C[5,5](C[5,5]C[5]2N[5])(C[5]C[5]O)2(O[5]C[5])	C[5](C[5]C[5,5]O)(C[5]O[5]O)(CH3)	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]C)(OC){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	C[5,5](C[5,5]C[5]2N[5])(C[5]C[5]O)2(O[5]C[5]){1|O<1>,2|H<1>,6|C<4>}	C[5](C[5]C[5,5]O)(C[5]O[5]O)(CH3){1|C<3>,1|C<4>}	111.6710	0.116	3	111.7479	0.015	7	111.7479	0.015	7	111.7479	0.015	7	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:2:	4:3:3:3:	3:2:3:	C[5,5]-4:C[5]-3:C-2:	C[5,5]-4:C[5,6a]-3:C[5]-3:C[5]-3:	C[5]-3:O[5]-2:N-3:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]O[5]N)(CN)	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5]C[5,5]C)(O[5]C[5,5])(NHH)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]O[5]N)(CN){1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[5](C[5]C[5,5]C)(O[5]C[5,5])(NHH){4|C<3>}	109.7530	0.000	1	109.7530	0.000	1	109.7530	0.000	1	109.7530	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:2:	4:3:3:3:	3:3:1:	C[5,5]-4:C[5]-3:N-2:	C[5]-4:C[5]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,5]C[5]2N[5])(C[5]N[5]O)(NH)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]N)(C[5]N[5]O)(N[5]C[5]C)	C[5](C[5]C[5,5]N)(N[5]C[5]C)(O)	C[5](C[5,5]C[5]2N[5])(C[5]N[5]O)(NH){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]N)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[5,5]N)(N[5]C[5]C)(O){1|C<4>,1|N<3>,1|O<1>}	107.6590	0.000	1	107.6590	0.000	1	107.6590	0.000	1	107.6590	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:2:	4:3:3:3:	3:3:2:	C[5,5]-4:C[5]-3:C-2:	C[5,5]-4:C[5,6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:O[5]-2:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]O[5])(CN)	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5]C[5,5]C)(C[6a]C[6a]2)(O[5]C[5,5])	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]O[5])(CN){1|N<3>,1|O<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5]C[5,5]C)(C[6a]C[6a]2)(O[5]C[5,5]){2|H<1>,6|C<3>}	110.0770	0.000	1	110.0770	0.000	1	110.0770	0.000	1	110.0770	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:2:	4:3:3:3:	4:3:3:	C[5,5]-4:C[5]-3:C-2:	C[4,5,5]-4:C[6a]-3:C[5]-3:C[5]-3:	C[4,5]-4:C[5]-3:C[6a]-3:	C[5](C[5,5]C[4,5,5]C[6a]C[5])(C[5]C[4,5]C[6a])(CN)	C[5,5](C[4,5,5]C[4,5]C[4]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[5](C[4,5]C[4,5,5]C[4]C)(C[5]C[5,5]C)(C[6a]C[6a]2)	C[5](C[5,5]C[4,5,5]C[6a]C[5])(C[5]C[4,5]C[6a])(CN){1|C<2>,1|C<4>,1|H<1>,7|C<3>}	C[5,5](C[4,5,5]C[4,5]C[4]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){3|C<2>,3|H<1>,5|C<3>}	C[5](C[4,5]C[4,5,5]C[4]C)(C[5]C[5,5]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	115.6130	0.000	1	115.6130	0.000	1	115.6130	0.000	1	115.6130	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:2:	4:4:3:1:	3:2:1:	C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:H-1:	C[5](C[5,5]C[5,5]2H)(C[5]O[5]H)(OS)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5,5]O)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]2H)(C[5]O[5]H)(OS){1|H<1>,4|C<4>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]C)(C[5]C[5]O)(H){1|Br<1>,1|C<3>,1|O<2>,5|H<1>}	C[5](C[5]C[5,5]O)(O[5]C[5,5])(H){1|H<1>,3|C<4>}	112.3610	0.000	1	112.3610	0.000	1	112.3610	0.000	1	112.3610	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:2:	4:4:3:1:	4:3:1:	C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:C[5]-4:C[5]-3:Cl-1:	C[5]-4:C[5]-3:Cl-1:	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)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]O)(Cl)	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>}	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>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]O)(Cl){1|Cl<1>,1|H<1>,2|C<4>}	109.8540	0.000	1	109.8540	0.000	1	109.8540	0.000	1	109.8540	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:2:	4:4:3:2:	3:3:3:	C[5,5]-4:C[5]-3:O-2:	C[5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]C[5])(OC)	C[5,5](C[5]C[5]HH)2(C[5]C[5]O)(O[5]C[5])	C[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]O[5]O)	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]C[5])(OC){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]C[5]O)(O[5]C[5]){1|C<3>,1|O<1>,4|H<1>}	C[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]O[5]O){2|C<3>,4|C<4>}	113.8030	0.151	2	113.8030	0.023	2	113.1067	1.466	3	113.1067	1.466	3	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:2:	4:4:3:2:	3:3:3:	C[5,5]-4:C[5]-3:O-2:	C[5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]C[5])(OH)	C[5,5](C[5]C[5]HH)2(C[5]C[5]O)(O[5]C[5])	C[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]O[5]O)	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]C[5])(OH){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]C[5]O)(O[5]C[5]){1|C<3>,1|O<1>,4|H<1>}	C[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]O[5]O){2|C<3>,4|C<4>}	111.7140	0.000	1	111.7140	0.000	1	113.1067	1.466	3	113.1067	1.466	3	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:2:3:3:	3:3:3:	C[5,5]-4:C[5]-3:C-3:	C[5]-3:O[5]-2:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(COO)	C[5,5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]C)2	C[5](C[5]C[5,5]C)(C[5]C[5]N)(COO)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(COO){1|C<2>,1|N<3>,1|O<1>,2|C<3>}	C[5,5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]C)2{1|N<3>,3|C<3>}	C[5](C[5]C[5,5]C)(C[5]C[5]N)(COO){1|C<2>,1|C<3>,1|O<2>}	109.5490	0.000	1	109.5490	0.000	1	109.5490	0.000	1	109.5490	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:2:4:3:	3:4:1:	C[5,5]-4:C[5]-3:C-3:	C[5]-3:O[5]-2:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(COO)	C[5,5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]CH)(C[5]C[5]C)	C[5](C[5]C[5,5]C)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(COO){1|O<1>,3|C<3>,3|H<1>}	C[5,5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]CH)(C[5]C[5]C){2|C<3>,3|H<1>}	C[5](C[5]C[5,5]C)(C[5]C[5]HH)(H){1|H<1>,1|O<2>,2|C<3>}	111.1870	0.000	1	111.1870	0.000	1	111.1870	0.000	1	111.1870	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:3:2:2:	3:3:3:	C[5,5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:O[5]-2:O[5]-2:	C[5]-3:C[5]-3:C-3:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]C)(COO)	C[5,5](C[5]C[5]C)2(O[5]C[5])2	C[5](C[5]C[5,5]C)(C[5]O[5]N)(COO)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]C)(COO){1|N<2>,3|C<3>}	C[5,5](C[5]C[5]C)2(O[5]C[5])2{2|C<3>,2|N<2>}	C[5](C[5]C[5,5]C)(C[5]O[5]N)(COO){1|C<3>,1|O<2>}	108.6335	0.114	2	108.6335	0.013	2	108.6335	0.013	2	108.6335	0.013	2	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:3:3:2:	3:3:1:	C[5,5]-4:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]H)(COO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)(O[5]C[5])	C[5](C[5]C[5,5]C)(C[5]O[5]N)(H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]H)(COO){1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)(O[5]C[5]){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5](C[5]C[5,5]C)(C[5]O[5]N)(H){2|C<3>}	109.2810	0.000	1	109.2810	0.000	1	109.5195	0.114	2	108.0074	1.107	7	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:3:3:2:	3:3:1:	C[5,5]-4:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]H)(COO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)(O[5]C[5])	C[5](C[5]C[5,5]C)(C[5]O[5]O)(H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]H)(COO){1|N<3>,2|C<3>,2|O<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]C)(C[5]O[5]O)(H){2|C<3>}	109.7580	0.000	1	109.7580	0.000	1	109.5195	0.114	2	108.0074	1.107	7	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:3:3:2:	3:3:1:	C[5,5]-4:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:N[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5,5]C[5,6a]N[5]O[5])(C[5]C[5,6a]O)(CC[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(N[5]N[5]C)(O[5]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C)(O)	C[5](C[5,5]C[5,6a]N[5]O[5])(C[5]C[5,6a]O)(CC[6a]H){1|N<2>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(N[5]N[5]C)(O[5]C[5]){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C)(O){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	107.4870	0.017	2	107.4870	0.000	2	107.4870	0.000	2	108.0074	1.107	7	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:3:3:2:	3:3:1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]2N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5])(N[5]C[5])	C[5](C[5]C[5,5]C[6a])(C[5]N[5]O)(H)	C[5](C[5,5]C[5,6a]2N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|O<2>,2|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5])(N[5]C[5]){1|O<2>,3|H<1>,6|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]N[5]O)(H){4|C<3>}	107.1880	0.000	1	107.1880	0.000	1	107.1880	0.000	1	108.0074	1.107	7	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:3:3:2:	3:3:1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(O[5]C[5])	C[5](C[5]C[5,5]C[6a])(C[5]O[5]O)(H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]H){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]O[5]O)(H){4|C<3>}	107.4255	0.258	2	107.4255	0.067	2	107.4255	0.067	2	108.0074	1.107	7	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:3:3:2:	3:3:2:	C[5,5]-4:C[5]-3:C-3:	C[5,6a]-3:N[5,5]-3:C[5]-3:O-2:	C[5]-3:C[6a]-3:O[5]-2:	C[5](C[5,5]C[5,6a]N[5,5]O)(C[5]C[6a]O[5])(COO)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]O[5])(C[5]C[5]C)(OH)	C[5](C[5]C[5,5]C)(C[6a]C[6a]2)(O[5]N[5,5])	C[5](C[5,5]C[5,6a]N[5,5]O)(C[5]C[6a]O[5])(COO){5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]O[5])(C[5]C[5]C)(OH){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[5,5]C)(C[6a]C[6a]2)(O[5]N[5,5]){1|O<2>,2|H<1>,4|C<3>}	108.9580	0.000	1	108.9580	0.000	1	108.9580	0.000	1	108.9580	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:3:3:2:	3:3:3:	C[5,5]-4:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5]-3:C[5]-3:N-3:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]N)(COO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)(O[5]C[5])	C[5](C[5]C[5,5]C)(C[5]O[5]O)(NC[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]N)(COO){1|N<3>,2|C<3>,2|O<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)(O[5]C[5]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]C)(C[5]O[5]O)(NC[6a]H){2|C<3>}	109.7865	0.309	2	109.7865	0.095	2	109.7865	0.095	2	109.6480	0.105	3	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:3:3:2:	3:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(O[5]C[5])	C[5](C[5]C[5,5]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<3>,2|H<1>,2|O<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a])(C[6a]C[6a]2)(C[5]O[5]O){2|H<1>,6|C<3>}	109.3710	0.000	1	109.3710	0.000	1	109.3710	0.000	1	109.6480	0.105	3	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:3:3:2:	4:3:1:	C[5,5]-4:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]H)(COO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)(O[5]C[5])	C[5](C[5]C[5]O[5]C)(C[5]C[5,5]C)(H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]H)(COO){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)(O[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5]O[5]C)(C[5]C[5,5]C)(H){1|O<2>,4|C<3>}	109.9180	0.000	1	109.9180	0.000	1	109.9180	0.000	1	110.5815	0.880	2	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:3:3:2:	4:3:1:	C[5,5]-4:C[5]-3:C-3:	C[5,6a]-3:N[5,5]-3:C[5]-3:O-2:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]N[5,5]O)(C[5]C[5]H)(COO)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]C)(OH)	C[5](C[5]N[5,5]CC)(C[5]C[5,5]C)(H)	C[5](C[5,5]C[5,6a]N[5,5]O)(C[5]C[5]H)(COO){5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]C)(OH){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]N[5,5]CC)(C[5]C[5,5]C)(H){1|O<2>,2|C<3>}	111.2450	0.000	1	111.2450	0.000	1	111.2450	0.000	1	110.5815	0.880	2	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:3:3:2:	4:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:N[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]N[5]O[5])(C[5]C[5,5]C[6a])(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(N[5]C[5]Pt)(O[5]C[5,5])	C[5](C[5,5]C[5,6a]N[5]O[5])(C[5]C[5,5]C[6a])(C[6a]C[6a]2)	C[5](C[5,5]C[5,6a]N[5]O[5])(C[5]C[5,5]C[6a])(C[6a]C[6a]2){1|Pt<4>,1|N<3>,2|H<1>,8|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(N[5]C[5]Pt)(O[5]C[5,5]){1|H<1>,1|N<3>,7|C<3>}	C[5](C[5,5]C[5,6a]N[5]O[5])(C[5]C[5,5]C[6a])(C[6a]C[6a]2){1|Pt<4>,1|N<3>,2|H<1>,8|C<3>}	108.8810	0.000	1	108.8810	0.000	1	108.8810	0.000	1	108.8810	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:3:3:3:	3:2:1:	C[5,5]-4:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-2:I-1:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]I)(COO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]C)(C[5]N[5]I)	C[5](C[5]C[5,5]C)(N[5]C[5])(I)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]I)(COO){1|I<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]C)(C[5]N[5]I){1|H<1>,2|I<1>,4|C<3>}	C[5](C[5]C[5,5]C)(N[5]C[5])(I){1|I<1>,2|C<3>}	107.0780	0.000	1	107.0780	0.000	1	107.0780	0.000	1	107.0780	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:3:3:3:	3:2:4:	C[5,5]-4:C[5]-3:C-3:	N[5]-3:N[5]-3:C[5]-3:C[5]-3:	C[5]-3:S[5]-2:C-4:	C[5](C[5,5]C[5]N[5]2)(C[5]S[5]C)(COO)	C[5,5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[5]C[5]C)(C[5]S[5]N)	C[5](C[5]C[5,5]C)(S[5]C[5])(CCHH)	C[5](C[5,5]C[5]N[5]2)(C[5]S[5]C)(COO){2|N<2>,3|C<3>}	C[5,5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[5]C[5]C)(C[5]S[5]N){1|C<4>,5|C<3>}	C[5](C[5]C[5,5]C)(S[5]C[5])(CCHH){1|N<2>,2|N<3>}	115.1860	0.000	1	115.1860	0.000	1	115.1860	0.000	1	115.1860	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:3:3:3:	3:3:1:	C[5,5]-4:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(COO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)2(C[5]N[5]O)	C[5](C[5]C[6a]C[5])(C[5]C[5,5]C)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(COO){1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)2(C[5]N[5]O){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5,5]C)(H){5|C<3>}	109.5110	0.000	1	109.5110	0.000	1	109.5110	0.000	1	108.2148	0.919	6	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:3:3:3:	3:3:1:	C[5,5]-4:C[5]-3:C-3:	N[5]-3:N[5]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5]N[5]2)(C[5]N[5]H)(COO)	C[5,5](N[5]C[5,6a]C)2(C[5]C[5]C)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5,5]C)(H)	C[5](C[5,5]C[5]N[5]2)(C[5]N[5]H)(COO){2|C<4>,4|C<3>}	C[5,5](N[5]C[5,6a]C)2(C[5]C[5]C)(C[5]N[5]C){1|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5,5]C)(H){2|N<3>,3|C<3>}	109.0380	0.000	1	109.0380	0.000	1	109.0380	0.000	1	108.2148	0.919	6	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:3:3:3:	3:3:1:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:I-1:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]I)(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]C)(C[5]N[5]I)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(I)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]I)(C[6a]C[6a]2){1|I<1>,1|N<2>,2|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]C)(C[5]N[5]I){1|H<1>,2|I<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(I){1|H<1>,6|C<3>}	108.4420	0.000	1	108.4420	0.000	1	108.4420	0.000	1	108.2148	0.919	6	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:3:3:3:	3:3:1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]H)	C[5,5](C[5]C[6a]C[5])2(C[5]C[6a]N[5])(C[5]N[5]O)	C[5](C[5]C[5,5]C[6a])(C[5]C[5]C)(H)	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5]C[6a]C[5])2(C[5]C[6a]N[5])(C[5]N[5]O){1|C<4>,1|H<1>,7|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5]C)(H){5|C<3>}	107.4327	0.419	3	107.4327	0.176	3	107.4327	0.176	3	108.2148	0.919	6	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:3:3:3:	3:3:2:	C[5,5]-4:C[5]-3:C-3:	C[5,6a]-3:N[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:O-2:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]O)(CC[6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]C)(C[5]O[5]O)	C[5](C[5]C[5,5]C)(C[5]N[5]O)(OH)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]O)(CC[6a]O){1|O<2>,2|O<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]C)(C[5]O[5]O){2|O<1>,2|O<2>,3|C<3>}	C[5](C[5]C[5,5]C)(C[5]N[5]O)(OH){3|C<3>}	107.7620	0.000	1	107.7620	0.000	1	107.7620	0.000	1	107.7620	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:3:3:3:	3:3:3:	C[5,5]-4:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(CC[6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)2(C[5]N[5]O)	C[5](C[5]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(CC[6a]O){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)2(C[5]N[5]O){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]H){2|H<1>,5|C<3>}	109.9310	0.000	1	109.9310	0.000	1	109.9310	0.000	1	109.7740	0.743	11	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:3:3:3:	3:3:3:	C[5,5]-4:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]C)(COO)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C)(C[5]C[5]C)(N[5]C[5]C)	C[5](C[5]C[5,5]C)(C[5]N[5]O)(COO)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]C)(COO){1|C<4>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C)(C[5]C[5]C)(N[5]C[5]C){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5]C[5,5]C)(C[5]N[5]O)(COO){1|C<4>,2|C<3>}	110.3895	0.224	2	110.3895	0.050	2	110.3895	0.050	2	109.7740	0.743	11	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:3:3:3:	3:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5])(C[5]N[5]S)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2)	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|N<3>,1|S<1>,2|H<1>,8|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5])(C[5]N[5]S){3|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	110.2780	0.000	1	110.2780	0.000	1	110.2780	0.000	1	109.7740	0.743	11	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:3:3:3:	3:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5])(N[5]S[5]H)	C[5](C[5,6a]C[5,6a]2)(C[5]C[5,5]C[6a])(C[6a]C[6a]2)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|S<4>,3|H<1>,8|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5])(N[5]S[5]H){2|H<1>,2|O<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]2)(C[5]C[5,5]C[6a])(C[6a]C[6a]2){1|N<3>,1|O<2>,2|H<1>,7|C<3>}	110.5500	0.000	1	110.5500	0.000	1	110.0270	0.547	2	109.7740	0.743	11	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:3:3:3:	3:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5])(N[5]S[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|S<4>,3|H<1>,8|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5])(N[5]S[5]H){2|H<1>,2|O<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	109.5040	0.000	1	109.5040	0.000	1	110.0270	0.547	2	109.7740	0.743	11	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:3:3:3:	3:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5,6a]O)(N[5]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|O<1>,3|H<1>,8|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5,6a]O)(N[5]C[5,6a]H){1|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	110.2620	0.000	1	110.2620	0.000	1	110.2620	0.000	1	109.7740	0.743	11	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:3:3:3:	3:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5,5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,9|C<3>}	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]C[5]O){2|H<1>,8|C<3>}	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2){2|H<1>,9|C<3>}	108.3890	0.000	1	108.3890	0.000	1	108.3890	0.000	1	109.7740	0.743	11	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:3:3:3:	3:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[5,5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,5](C[5]C[6a]C[5])2(C[5,5]C[5]2)(C[6a]C[6a]2)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,9|C<3>}	C[5,5](C[5]C[6a]C[5])2(C[5,5]C[5]2)(C[6a]C[6a]2){1|O<1>,2|H<1>,9|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2){2|H<1>,7|C<3>}	110.5680	0.000	1	110.5680	0.000	1	109.7750	1.258	2	109.7740	0.743	11	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:3:3:3:	3:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[5,5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,5](C[5]C[6a]C[5])2(C[5,5]C[5]2)(C[6a]C[6a]2)	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){10|C<3>,2|H<1>}	C[5,5](C[5]C[6a]C[5])2(C[5,5]C[5]2)(C[6a]C[6a]2){1|O<1>,2|H<1>,9|C<3>}	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2){2|H<1>,9|C<3>}	108.9820	0.000	1	108.9820	0.000	1	109.7750	1.258	2	109.7740	0.743	11	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:3:3:3:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(N[5]C[5]H)	C[5](C[5]C[5,5]C[6a])(C[5]N[5]S)(CC[6a]O)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]C){1|N<3>,1|O<1>,1|S<1>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|H<1>,1|S<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]N[5]S)(CC[6a]O){1|H<1>,4|C<3>}	108.2710	0.000	1	108.2710	0.000	1	108.2710	0.000	1	109.7740	0.743	11	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:3:3:3:	3:3:4:	C[5,5]-4:C[5]-3:C-3:	N[5]-3:N[5]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5]N[5]2)(C[5]N[5]C)(COO)	C[5,5](N[5]C[5,6a]C)2(C[5]C[5]C)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5,5]C)(CCHH)	C[5](C[5,5]C[5]N[5]2)(C[5]N[5]C)(COO){2|C<4>,4|C<3>}	C[5,5](N[5]C[5,6a]C)2(C[5]C[5]C)(C[5]N[5]C){1|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5,5]C)(CCHH){2|N<3>,3|C<3>}	110.0620	0.000	1	110.0620	0.000	1	109.5265	0.574	2	109.3855	0.723	6	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:3:3:3:	3:3:4:	C[5,5]-4:C[5]-3:C-3:	N[5]-3:N[5]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5]N[5]2)(C[5]N[5]C)(COO)	C[5,5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[5]C[5]C)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5,5]C)(CCHH)	C[5](C[5,5]C[5]N[5]2)(C[5]N[5]C)(COO){1|N<2>,5|C<3>}	C[5,5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[5]C[5]C)(C[5]N[5]C){1|C<4>,6|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5,5]C)(CCHH){2|N<3>,3|C<3>}	108.9910	0.000	1	108.9910	0.000	1	109.5265	0.574	2	109.3855	0.723	6	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:3:3:3:	3:3:4:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5])(N[5]S[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(CH3)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C)(C[6a]C[6a]2){1|S<4>,3|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5])(N[5]S[5]H){1|C<4>,2|H<1>,2|O<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(CH3){1|H<1>,1|N<3>,5|C<3>}	110.8090	0.000	1	110.8090	0.000	1	110.8090	0.000	1	109.3855	0.723	6	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:3:3:3:	3:3:4:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]C)	C[5,5](C[5]C[6a]C[5])2(C[5]C[6a]N[5])(C[5]N[5]O)	C[5](C[5]C[5,5]C[6a])(C[5]C[5]H)(CCHH)	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]C){1|N<2>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5]C[6a]C[5])2(C[5]C[6a]N[5])(C[5]N[5]O){1|C<4>,1|H<1>,7|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5]H)(CCHH){5|C<3>}	108.8170	0.064	3	108.8170	0.004	3	108.8170	0.004	3	109.3855	0.723	6	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:3:3:3:	3:4:1:	C[5,5]-4:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]H)(COO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)(N[5]C[5]C)	C[5](C[5]C[5,5]C)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]H)(COO){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[5,5]C)(C[5]N[5]HH)(H){3|C<3>}	112.5660	0.000	1	112.5660	0.000	1	112.5660	0.000	1	112.5660	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:3:3:3:	3:4:3:	C[5,5]-4:C[5]-3:C-3:	C[5,6a]-3:N[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-4:C-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]C)(COO)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5]C[5,5]C)(C[5]N[5]CC)(COO)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]C)(COO){1|N<3>,1|O<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,7|C<3>}	C[5](C[5]C[5,5]C)(C[5]N[5]CC)(COO){3|C<3>}	111.9960	0.000	1	111.9960	0.000	1	111.9960	0.000	1	109.7100	1.839	5	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:3:3:3:	3:4:3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-4:C-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(N[5]C[5]C)	C[5](C[5]C[5,5]C[6a])(C[5]N[5]HH)(COO)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(N[5]C[5]C){4|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]N[5]HH)(COO){1|C<4>,4|C<3>}	108.8510	0.000	1	108.8510	0.000	1	109.1385	0.275	4	109.7100	1.839	5	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:3:3:3:	3:4:3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-4:C-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(N[5]C[5]H)	C[5](C[5]C[5,5]C[6a])(C[5]C[6a]N[5]H)(CC[6a]O)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]C){1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(N[5]C[5]H){1|C<4>,2|H<1>,6|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[6a]N[5]H)(CC[6a]O){1|H<1>,6|C<3>}	109.2343	0.597	3	109.2343	0.357	3	109.1385	0.275	4	109.7100	1.839	5	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:3:3:3:	4:3:1:	C[5,5]-4:C[5]-3:C-3:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]H)(COO)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C)(H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]H)(COO){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]C)(C[5]N[5]O){2|C<3>,2|C<4>,6|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C)(H){2|C<3>,2|C<4>,2|H<1>}	111.1590	0.782	2	111.1590	0.612	2	111.1590	0.612	2	111.4547	0.568	3	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:3:3:3:	4:3:1:	C[5,5]-4:C[5]-3:C-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]N[5,5]C[6a])(C[5]C[5]H)(COO)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]N[5,5]HH)(C[5]C[5,5]C)(H)	C[5](C[5,5]C[5,6a]N[5,5]C[6a])(C[5]C[5]H)(COO){1|S<4>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]C[5]C){2|O<1>,4|C<3>,6|H<1>}	C[5](C[5]N[5,5]HH)(C[5]C[5,5]C)(H){1|S<4>,2|C<3>}	112.0460	0.000	1	112.0460	0.000	1	112.0460	0.000	1	111.4547	0.568	3	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:3:3:3:	4:3:3:	C[5,5]-4:C[5]-3:C-3:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-3:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C)(COO)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C)(COO)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C)(COO){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]C)(C[5]N[5]O){1|S<2>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C)(COO){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	111.0130	0.000	1	110.9627	0.017	3	110.9627	0.017	3	110.8752	0.042	4	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:3:3:3:	4:3:3:	C[5,5]-4:C[5]-3:C-3:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-3:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C)(COO)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C)(COO)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C)(COO){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]C)(C[5]N[5]O){2|C<4>,3|C<3>,5|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C)(COO){2|C<3>,2|C<4>,2|H<1>}	111.0620	0.000	1	110.9627	0.017	3	110.9627	0.017	3	110.8752	0.042	4	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:3:3:3:	4:3:3:	C[5,5]-4:C[5]-3:C-3:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-3:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C)(COO)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C)(COO)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C)(COO){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]C)(C[5]N[5]O){3|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C)(COO){2|C<3>,2|C<4>,2|H<1>}	110.8130	0.000	1	110.9627	0.017	3	110.9627	0.017	3	110.8752	0.042	4	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:3:3:3:	4:3:3:	C[5,5]-4:C[5]-3:C-3:	C[5,6a]-3:N[5]-3:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:N-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]N)(COO)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]C)(NC[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]N)(COO){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]C)(C[5]N[5]O){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]C)(NC[6a]H){1|H<1>,5|C<3>}	110.6130	0.000	1	110.6130	0.000	1	110.6130	0.000	1	110.8752	0.042	4	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:3:3:4:	3:3:1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])(CCHH)	C[5](C[5]C[5,5]C[6a])2(H)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]H){2|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])(CCHH){2|H<1>,6|C<3>}	C[5](C[5]C[5,5]C[6a])2(H){1|C<4>,6|C<3>}	107.1290	0.000	1	107.1290	0.000	1	107.1350	0.000	2	107.1350	0.000	2	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:3:3:4:	3:3:1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])(CC[6a]CH)	C[5](C[5]C[5,5]C[6a])2(H)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]H){2|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])(CC[6a]CH){2|H<1>,6|C<3>}	C[5](C[5]C[5,5]C[6a])2(H){1|C<4>,6|C<3>}	107.1410	0.000	1	107.1410	0.000	1	107.1350	0.000	2	107.1350	0.000	2	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:3:3:4:	3:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5,5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]C[5]FF)	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|F<1>,2|H<1>,9|C<3>}	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]C[5]FF){2|H<1>,8|C<3>}	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	107.9340	0.000	1	107.9340	0.000	1	107.9340	0.000	1	107.9340	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:3:3:4:	4:3:3:	C[5,5]-4:C[5]-3:B-3:	C[5,6a]-3:B[5,5]-3:C[5]-3:Si-4:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]B[5,5]Si)(C[5]C[6a]C[5])(BC[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(B[5,5]C[5]N[5])(C[5]C[5]B)(SiC3)	C[5](C[5]B[5,5]SiH)(C[5]C[5,5]B)(C[6a]C[6a]2)	C[5](C[5,5]C[5,6a]B[5,5]Si)(C[5]C[6a]C[5])(BC[6a]2){1|Si<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(B[5,5]C[5]N[5])(C[5]C[5]B)(SiC3){1|Si<4>,2|H<1>,4|C<3>}	C[5](C[5]B[5,5]SiH)(C[5]C[5,5]B)(C[6a]C[6a]2){1|Si<4>,1|N<3>,2|F<1>,3|C<3>}	110.1800	0.000	1	110.1800	0.000	1	110.1800	0.000	1	110.1800	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:3:4:3:	3:3:1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-3:N[5,5]-3:C[5]-4:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[5,5](C[5]C[6a]C[5])(N[5,5]C[5]2)(C[5]O[5]CH)(COO)	C[5](C[5]C[5,5]C[6a])(C[5]N[5,5]O)(H)	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5]C[6a]C[5])(N[5,5]C[5]2)(C[5]O[5]CH)(COO){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]C[6a])(C[5]N[5,5]O)(H){2|C<4>,3|C<3>}	108.6250	0.158	3	108.6250	0.025	3	108.6570	0.023	6	108.6570	0.023	6	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:3:4:3:	3:3:1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-3:N[5,5]-3:C[5]-4:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[5,5](C[5]C[6a]C[5])(N[5,5]C[5]2)(C[5]O[5]HH)(COO)	C[5](C[5]C[5,5]C[6a])(C[5]N[5,5]O)(H)	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5,5](C[5]C[6a]C[5])(N[5,5]C[5]2)(C[5]O[5]HH)(COO){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]C[6a])(C[5]N[5,5]O)(H){2|C<4>,3|C<3>}	108.6935	0.245	2	108.6935	0.060	2	108.6570	0.023	6	108.6570	0.023	6	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:3:4:3:	3:3:1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-3:N[5,5]-3:C[5]-4:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[5,5](C[5]C[6a]C[5])(N[5,5]C[5]2)(C[5]S[5]HH)(COO)	C[5](C[5]C[5,5]C[6a])(C[5]N[5,5]O)(H)	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,1|O<1>,1|S<3>,2|C<3>,4|H<1>}	C[5,5](C[5]C[6a]C[5])(N[5,5]C[5]2)(C[5]S[5]HH)(COO){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[5](C[5]C[5,5]C[6a])(C[5]N[5,5]O)(H){2|C<4>,3|C<3>}	108.6800	0.000	1	108.6800	0.000	1	108.6570	0.023	6	108.6570	0.023	6	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:3:4:3:	3:3:2:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:O-2:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]H)	C[5](C[5]C[5,5]C[6a])(C[5]C[5]O)(OH)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]O){1|N<2>,1|O<1>,4|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5]O)(OH){2|H<1>,4|C<3>}	110.2625	0.728	2	110.2625	0.529	2	110.2625	0.529	2	110.2625	0.529	2	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:3:4:3:	3:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[5]-4:N[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]O[5]HH)(N[5]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|O<2>,5|H<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]O[5]HH)(N[5]C[5]H){1|H<1>,1|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	110.0750	0.496	2	110.0750	0.246	2	110.0750	0.246	2	110.6913	1.263	3	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:3:4:3:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5]C[5,5]C[6a])(C[5]C[5]O)(CC[6a]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C){1|N<3>,2|O<1>,4|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5]O)(CC[6a]O){2|H<1>,4|C<3>}	111.9240	0.000	1	111.9240	0.000	1	111.9240	0.000	1	110.6913	1.263	3	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:3:4:3:	3:3:4:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(CH3)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]C)(C[6a]C[6a]2){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,4|C<3>,5|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(CH3){1|C<4>,1|H<1>,5|C<3>}	111.0570	0.000	1	111.0570	0.000	1	111.0570	0.000	1	110.9195	0.038	2	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:3:4:3:	3:3:4:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[5]-4:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]O[5]HH)(N[5]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(CH3)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]C)(C[6a]C[6a]2){1|O<2>,5|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]O[5]HH)(N[5]C[5]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(CH3){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	110.7820	0.000	1	110.7820	0.000	1	110.7820	0.000	1	110.9195	0.038	2	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:3:4:4:	3:3:2:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[5]-4:C[5]-4:	C[5]-3:C[5]-3:S-2:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]S)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]CH)	C[5](C[5]C[5,5]C[6a])(C[5]C[5]O)(SC[6a])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]S){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]CH){1|O<1>,1|S<2>,2|H<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5]O)(SC[6a]){1|C<4>,2|H<1>,3|C<3>}	111.1330	0.000	1	111.1330	0.000	1	111.1940	0.007	2	111.1940	0.007	2	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:3:4:4:	3:3:2:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[5]-4:C[5]-4:	C[5]-3:C[5]-3:S-2:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]S)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]HH)	C[5](C[5]C[5,5]C[6a])(C[5]C[5]O)(SC[6a])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]S){1|N<3>,1|O<1>,4|C<3>,6|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]HH){1|O<1>,1|S<2>,2|H<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5]O)(SC[6a]){1|C<4>,2|H<1>,3|C<3>}	111.2550	0.000	1	111.2550	0.000	1	111.1940	0.007	2	111.1940	0.007	2	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:4:2:2:	3:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:O[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,5](C[5]C[6a]C[5])(C[5]C[5,6]HH)(O[5]C[5])2	C[5](C[5]C[5,5]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5,5](C[5]C[6a]C[5])(C[5]C[5,6]HH)(O[5]C[5])2{1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5]C[6a])(C[6a]C[6a]2)(C[5]O[5]O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	109.4140	0.000	1	109.4140	0.000	1	109.4140	0.000	1	109.4140	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:4:3:1:	3:3:1:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:O-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(CHH)	C[5,5](C[5,5]C[5]2)(C[5]N[5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[5,5]C)(C[5]C[5,5]H)(O)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(CHH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,5](C[5,5]C[5]2)(C[5]N[5]CC)(C[5]C[5]C)(H){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,5]C)(C[5]C[5,5]H)(O){1|H<1>,2|C<4>}	106.3170	0.000	1	106.3170	0.000	1	106.3170	0.000	1	108.3017	8.405	6	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:4:3:1:	3:3:1:	C[5,5]-4:C[5]-3:C-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(CCC)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]C)(H)	C[5](C[5]C[5,5]C)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(CCC){1|O<2>,2|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]C)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,5]C)(C[5]C[5,5]H)(H){1|C<3>,1|O<2>,2|H<1>}	105.3560	0.000	1	105.3560	0.000	1	105.6845	0.216	2	108.3017	8.405	6	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:4:3:1:	3:3:1:	C[5,5]-4:C[5]-3:C-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(CC[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]C)(H)	C[5](C[5]C[5,5]C)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(CC[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]C)(H){2|H<1>,3|C<3>}	C[5](C[5]C[5,5]C)(C[5]C[5,5]H)(H){1|C<3>,1|O<2>,2|H<1>}	106.0130	0.000	1	106.0130	0.000	1	105.6845	0.216	2	108.3017	8.405	6	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:4:3:1:	3:3:1:	C[5,5]-4:C[5]-3:C-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]H)(CC[6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[5]C[5]C)(H)	C[5](C[5]C[5,5]C)(N[5]C[5,5]H)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]H)(CC[6a]O){1|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[5]C[5]C)(H){3|C<3>,3|H<1>}	C[5](C[5]C[5,5]C)(N[5]C[5,5]H)(H){1|H<1>,3|C<3>}	108.5840	0.000	1	108.5840	0.000	1	108.5840	0.000	1	108.3017	8.405	6	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:4:3:1:	3:3:1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[5]C[6a]C[5])(H)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[5]C[6a]C[5])(H){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	111.7700	0.182	2	111.7700	0.033	2	111.7700	0.033	2	108.3017	8.405	6	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:4:3:1:	3:4:3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-4:C-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(COO)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C){1|N<3>,1|O<1>,3|C<3>,5|H<1>}	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(COO){2|H<1>,4|C<3>}	110.3630	0.000	1	110.3630	0.000	1	110.3630	0.000	1	110.3630	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:4:3:1:	4:3:1:	C[5,5]-4:C[5]-3:C-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(COO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[5]C[5]C)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]C)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(COO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[5]C[5]C)(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]C)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	112.3525	0.465	2	112.3525	0.216	2	112.3525	0.216	2	112.3525	0.216	2	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:4:3:1:	4:3:3:	C[5,5]-4:C[5]-3:C-3:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C)(COO)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C)(COO)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C)(COO){2|C<3>,2|C<4>,2|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]C[5]C)(H){3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C)(COO){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	111.2555	0.114	2	111.2555	0.013	2	111.0423	0.143	3	111.0423	0.143	3	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:4:3:1:	4:3:3:	C[5,5]-4:C[5]-3:C-3:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C)(COO)	C[5,5](N[5,5]C[5,5]C[5])(C[5]S[5]HH)(C[5]C[5]C)(H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C)(COO)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C)(COO){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]S[5]HH)(C[5]C[5]C)(H){2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C)(COO){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	110.6160	0.000	1	110.6160	0.000	1	111.0423	0.143	3	111.0423	0.143	3	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:4:3:2:	3:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:C[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,5](C[5]C[6a]C[5])(C[5]C[5]OO)(C[5]C[5]C)(O[5]C[5])	C[5](C[5]C[5,5]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,2|O<2>,6|C<3>}	C[5,5](C[5]C[6a]C[5])(C[5]C[5]OO)(C[5]C[5]C)(O[5]C[5]){1|O<1>,2|O<2>,4|C<3>}	C[5](C[5]C[5,5]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){2|H<1>,3|O<2>,5|C<3>}	111.9480	0.000	1	111.9480	0.000	1	111.9480	0.000	1	111.9480	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:4:3:2:	3:4:3:	C[5,5]-4:C[5]-3:C-3:	C[5]-3:C[5]-4:C[5]-3:O[5]-2:	C[5]-3:C[5]-4:C-3:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(COO)	C[5,5](C[5]C[6a]C[5])(C[5]C[5]OO)(C[5]C[5]C)(O[5]C[5])	C[5](C[5]C[5,5]C)(C[5]O[5]OO)(COO)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(COO){3|C<3>,4|O<2>}	C[5,5](C[5]C[6a]C[5])(C[5]C[5]OO)(C[5]C[5]C)(O[5]C[5]){1|O<1>,2|O<2>,4|C<3>}	C[5](C[5]C[5,5]C)(C[5]O[5]OO)(COO){1|C<3>,1|C<4>}	109.9610	0.000	1	109.9610	0.000	1	109.9610	0.000	1	109.9610	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:4:3:3:	3:2:1:	C[5,5]-4:C[5]-3:C-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:C[5]-3:	C[5]-3:O[5]-2:H-1:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]O[5]H)(COO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5]C[5,5]C)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]O[5]H)(COO){1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[5]C[5]C)(C[5]N[5]O){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]C)(O[5]C[5,5])(H){4|C<3>}	108.9570	0.000	1	108.9570	0.000	1	108.9570	0.000	1	108.9570	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:4:3:3:	3:2:4:	C[5,5]-4:C[5]-3:C-3:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-3:O[5]-2:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]O[5]C)(CCO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5]C[5,5]C)(O[5]C[5])(CH3)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]O[5]C)(CCO){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(C[5]C[5]C)(C[5]N[5]O){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,5]C)(O[5]C[5])(CH3){1|H<1>,3|C<3>}	109.4190	0.000	1	109.4190	0.000	1	109.4190	0.000	1	109.4190	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:4:3:3:	3:3:1:	C[5,5]-4:C[5]-3:C-3:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]H)(CC[6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]H)(CC[6a]O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[5]C[5]C){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C)(H){1|C<4>,1|H<1>,3|C<3>}	110.4870	0.000	1	110.4870	0.000	1	110.4870	0.000	1	110.4870	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:4:3:3:	3:3:2:	C[5,5]-4:C[5]-3:C-3:	C[5,6]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:O[5]-2:	C[5](C[5,5]C[5,6]C[5]2)(C[5]C[6a]O[5])(CC[6a]O)	C[5,5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(C[5]C[5]C)(C[5]O[5]O)	C[5](C[5]C[5,5]C)(C[6a]C[6a]2)(O[5]C[5])	C[5](C[5,5]C[5,6]C[5]2)(C[5]C[6a]O[5])(CC[6a]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(C[5]C[5]C)(C[5]O[5]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]C)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	109.1210	0.000	1	109.1210	0.000	1	109.1210	0.000	1	109.1210	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:4:3:3:	3:4:1:	C[5,5]-4:C[5]-3:C-3:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(COO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5]C[5,5]C)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(COO){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[5,5]C)(C[5]C[5]HH)(H){4|C<3>}	112.1340	0.000	1	112.1340	0.000	1	112.0150	0.078	3	111.1607	2.971	4	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:4:3:3:	3:4:1:	C[5,5]-4:C[5]-3:C-3:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(COO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5]C[5,5]C)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(COO){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]O){4|H<1>,5|C<3>}	C[5](C[5]C[5,5]C)(C[5]C[5]HH)(H){1|H<1>,3|C<3>}	112.2160	0.000	1	112.2160	0.000	1	112.0150	0.078	3	111.1607	2.971	4	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:4:3:3:	3:4:1:	C[5,5]-4:C[5]-3:C-3:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(COO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]O[5]O)	C[5](C[5]C[5,5]C)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(COO){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]O[5]O){4|C<3>,4|H<1>}	C[5](C[5]C[5,5]C)(C[5]C[5]HH)(H){1|H<1>,3|C<3>}	111.6950	0.000	1	111.6950	0.000	1	112.0150	0.078	3	111.1607	2.971	4	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:4:3:3:	3:4:1:	C[5,5]-4:C[5]-3:C-3:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-4:O-1:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CC[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5]C[5,5]C)(C[5]C[5]HH)(O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CC[6a]H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]C[5]C)(C[5]N[5]O){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[5,5]C)(C[5]C[5]HH)(O){1|H<1>,3|C<3>}	108.5980	0.000	1	108.5980	0.000	1	108.5980	0.000	1	111.1607	2.971	4	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:4:3:3:	4:3:1:	C[5,5]-4:C[5]-3:C-3:	C[5,6a]-3:C[3,5]-4:C[5]-3:C[5]-3:	C[3,5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[3,5]C[5])(C[5]C[3,5]H)(COO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]C)(C[5]C[5]C)(C[5]N[5]O)	C[5](C[3,5]C[3,5]C[3]S)(C[5]C[5,5]C)(H)	C[5](C[5,5]C[5,6a]C[3,5]C[5])(C[5]C[3,5]H)(COO){1|N<3>,1|O<1>,1|S<4>,2|C<3>,2|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]C)(C[5]C[5]C)(C[5]N[5]O){1|S<4>,3|C<3>,4|H<1>}	C[5](C[3,5]C[3,5]C[3]S)(C[5]C[5,5]C)(H){1|C<4>,2|C<3>,2|H<1>}	111.9920	0.000	1	111.9920	0.000	1	111.9920	0.000	1	112.7844	1.601	10	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:4:3:3:	4:3:1:	C[5,5]-4:C[5]-3:C-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5,5]H)(COO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C)(H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5,5]H)(COO){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	114.0085	0.139	2	114.3200	0.301	3	114.3200	0.301	3	112.7844	1.601	10	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:4:3:3:	4:3:1:	C[5,5]-4:C[5]-3:C-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5,5]H)(COO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C)(H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5,5]H)(COO){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(C[5]N[5]O){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	114.9430	0.000	1	114.3200	0.301	3	114.3200	0.301	3	112.7844	1.601	10	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:4:3:3:	4:3:1:	C[5,5]-4:C[5]-3:C-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]H)(CC[6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]H)(CC[6a]O){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(H){4|C<3>}	110.7150	0.000	1	110.7150	0.000	1	111.5275	1.320	2	112.7844	1.601	10	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:4:3:3:	4:3:1:	C[5,5]-4:C[5]-3:C-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]H)(COO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]C)(H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]H)(COO){1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]C)(H){1|O<2>,5|C<3>}	112.3400	0.000	1	112.3400	0.000	1	111.5275	1.320	2	112.7844	1.601	10	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:4:3:3:	4:3:1:	C[5,5]-4:C[5]-3:C-3:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(COO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5,5]C)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(COO){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5,5]C)(H){1|C<4>,1|H<1>,4|C<3>}	111.6020	0.000	1	112.0250	0.358	2	112.4592	0.401	4	112.7844	1.601	10	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:4:3:3:	4:3:1:	C[5,5]-4:C[5]-3:C-3:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(COO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5,5]C)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(COO){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5,5]C)(H){1|H<1>,5|C<3>}	112.4480	0.000	1	112.0250	0.358	2	112.4592	0.401	4	112.7844	1.601	10	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:4:3:3:	4:3:1:	C[5,5]-4:C[5]-3:C-3:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(COO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5,5]C)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(COO){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5,5]C)(H){1|H<1>,5|C<3>}	112.8935	0.302	2	112.8935	0.091	2	112.4592	0.401	4	112.7844	1.601	10	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:4:3:4:	3:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5,5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,3|C<4>,6|C<3>}	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]C[5]C)(CCHH){1|C<4>,5|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	108.9910	2.711	2	108.9910	7.350	2	109.5102	2.917	4	109.5102	2.917	4	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:4:3:4:	3:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5,5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,3|C<4>,6|C<3>}	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]C[5]C)(CH3){1|C<4>,5|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	110.0295	0.568	2	110.0295	0.322	2	109.5102	2.917	4	109.5102	2.917	4	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:4:3:4:	4:3:3:	C[5,5]-4:C[5]-3:C-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[5]C)(CC[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]C)(CCC)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[5]C)(CC[6a]2){1|H<1>,2|C<4>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]C)(CCHH){1|H<1>,2|C<4>,4|C<3>}	C[5](C[5]C[5,5]CC)(C[5]C[5,5]C)(CCC){1|C<4>,1|H<1>,2|C<3>}	105.1280	0.000	1	105.1280	0.000	1	105.1280	0.000	1	105.1280	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:4:4:1:	3:4:1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-3:C[5]-4:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H){4|C<3>,7|H<1>}	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H){3|C<3>,4|H<1>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(H){1|C<4>,2|H<1>,3|C<3>}	110.7155	0.531	2	110.7155	0.282	2	110.7155	0.282	2	110.7155	0.282	2	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:4:4:1:	3:4:3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-3:C[5]-4:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]N[5]HH)(H)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|N<3>,4|C<3>,7|H<1>}	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]N[5]HH)(H){1|S<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	112.2880	0.000	1	112.2880	0.000	1	112.2880	0.000	1	112.2880	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:4:4:2:	3:3:1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:C[5]-4:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5,5](C[5]C[6a]C[5])(C[5]C[5]CH)(C[5]N[5]HH)(N[5]C[5])	C[5](C[5]C[5,5]C[6a])(C[5]N[5]H)(H)	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[5,5](C[5]C[6a]C[5])(C[5]C[5]CH)(C[5]N[5]HH)(N[5]C[5]){1|S<4>,2|C<3>,4|H<1>}	C[5](C[5]C[5,5]C[6a])(C[5]N[5]H)(H){2|C<3>,2|C<4>}	104.6625	0.175	2	104.6625	0.031	2	104.6625	0.031	2	104.6625	0.031	2	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:4:4:2:	3:3:2:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[5,5]-4:C[5]-4:O-2:	C[5]-3:C[5]-3:O-2:	C[5](C[5,5]C[5,5]C[5]O)(C[6a]C[6a]2)(C[5]C[5]O)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]O[5]CC)(OH)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(OS)	C[5](C[5,5]C[5,5]C[5]O)(C[6a]C[6a]2)(C[5]C[5]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]O[5]CC)(OH){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(OS){1|O<2>,2|C<3>,3|C<4>}	108.7300	0.000	1	108.7300	0.000	1	108.7300	0.000	1	108.7300	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:4:4:2:	3:3:4:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:C[5]-4:O[5]-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5,5](C[5]C[6a]C[5])(C[5]C[5]HH)2(O[5]C[5])	C[5](C[5]C[5,5]C[6a])(C[5]O[5]O)(CF3)	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[5,5](C[5]C[6a]C[5])(C[5]C[5]HH)2(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[5,5]C[6a])(C[5]O[5]O)(CF3){2|C<3>,2|C<4>}	109.1080	0.000	1	109.1080	0.000	1	109.1080	0.000	1	109.1080	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	3:4:4:2:	3:4:3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5,5]-4:C[5]-4:O-2:	C[5]-3:C[5]-4:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]C[5]HH)(OH)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|C<4>,5|C<3>,6|H<1>}	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]C[5]HH)(OH){1|O<1>,3|C<3>,4|H<1>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	110.7630	0.112	2	110.7630	0.012	2	110.7630	0.012	2	110.7630	0.012	2	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	4:2:3:1:	3:2:1:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:O[5]-2:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(CCH)	C[5,5](C[5,5]C[5,5,6]O[5]H)(O[5]C[5,5,6])(C[5]C[5]C)(H)	C[5](C[5]C[5,5]C)(O[5]C[5,5])(O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(CCH){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5,5,6]O[5]H)(O[5]C[5,5,6])(C[5]C[5]C)(H){1|H<1>,1|O<1>,3|C<4>}	C[5](C[5]C[5,5]C)(O[5]C[5,5])(O){1|C<4>,1|O<2>,2|H<1>}	105.0540	2.034	2	105.0540	4.136	2	105.8935	2.325	4	105.8935	2.325	4	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	4:2:3:1:	3:2:1:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:O[5]-2:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(CCH)	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(C[5]C[5]C)(H)	C[5](C[5]C[5,5]C)(O[5]C[5,5])(O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(CCH){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(C[5]C[5]C)(H){1|H<1>,1|O<1>,3|C<4>}	C[5](C[5]C[5,5]C)(O[5]C[5,5])(O){1|C<4>,1|O<2>,2|H<1>}	106.7330	0.144	2	106.7330	0.021	2	105.8935	2.325	4	105.8935	2.325	4	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	4:2:3:2:	3:3:1:	C[5,5]-4:C[5]-3:N-3:	C[5,5]-4:O[5]-2:C[5]-3:O-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]H)(NCH)	C[5,5](C[5,5]C[5,6a]C[5]C)(O[5]C[5,6a])(C[5]C[5]N)(OH)	C[5](C[5]C[5,5]N)(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]H)(NCH){1|C<4>,1|O<1>,2|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]C)(O[5]C[5,6a])(C[5]C[5]N)(OH){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,5]N)(C[5]C[5,5]O)(H){1|C<3>,1|C<4>,2|O<2>}	112.5340	0.000	1	112.5340	0.000	1	112.5340	0.000	1	112.5340	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	4:3:2:1:	3:2:1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5]-3:O[5]-2:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]O[5]H)	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[6a]C[5])(O[5]C[5,6a])(H)	C[5](C[5]C[5,5]C[6a])(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]O[5]H){3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[6a]C[5])(O[5]C[5,6a])(H){1|H<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a])(O[5]C[5,5])(H){1|O<2>,2|H<1>,3|C<3>}	106.7925	0.022	2	106.7925	0.000	2	106.7925	0.000	2	106.7925	0.000	2	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	4:3:2:1:	3:2:4:	C[5,5]-4:C[5]-3:C-3:	C[3x5]-4:C[5]-3:O[5]-2:H-1:	C[5]-3:O[5]-2:C-4:	C[5](C[5,5]C[3x5]O[5]H)(C[5]O[5]C)(CCO)	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]C[5]C)(O[5]C[5])(H)	C[5](C[5]C[5,5]C)(O[5]C[3x5])(CH3)	C[5](C[5,5]C[3x5]O[5]H)(C[5]O[5]C)(CCO){1|C<3>,2|C<4>}	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]C[5]C)(O[5]C[5])(H){1|C<4>,1|H<1>,5|C<3>}	C[5](C[5]C[5,5]C)(O[5]C[3x5])(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	108.9820	0.000	1	108.9820	0.000	1	108.9820	0.000	1	108.9820	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	4:3:2:1:	3:3:1:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(CHN)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]C)(O[5]C[5])(H)	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(CHN){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]C)(O[5]C[5])(H){1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(H){2|H<1>,2|O<2>}	111.2500	0.000	1	111.2500	0.000	1	111.2500	0.000	1	111.2500	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	4:3:2:3:	3:4:1:	C[5,5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:O[5]-2:C[5]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(COO)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]C)	C[5](C[5]C[5,5]C)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(COO){1|O<1>,3|C<3>,3|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]C){3|H<1>,4|C<3>}	C[5](C[5]C[5,5]C)(C[5]C[5]HH)(H){1|H<1>,1|O<2>,2|C<3>}	111.2825	0.351	2	111.2825	0.124	2	111.2825	0.124	2	111.2825	0.124	2	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	4:3:2:4:	3:3:1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,5]O[5]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(O[5]C[5,6a])(CH3)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,5]O[5]C)(C[6a]C[6a]2)(C[5]C[5]H){1|O<1>,2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(O[5]C[5,6a])(CH3){1|H<1>,1|O<1>,6|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|O<2>,4|C<3>}	111.3180	0.000	1	111.3180	0.000	1	111.3180	0.000	1	111.3180	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	4:3:3:1:	3:2:1:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CHO)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5,5]C)(O[5]C[5,5])(O)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CHO){1|C<3>,1|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]C)(C[5]C[5]H)(H){1|O<1>,3|H<1>}	C[5](C[5]C[5,5]C)(O[5]C[5,5])(O){1|C<3>,1|C<4>,2|H<1>}	108.9623	0.139	3	108.9623	0.019	3	108.9623	0.019	3	108.9623	0.019	3	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	4:3:3:1:	3:3:2:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:O[5]-2:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5])(COO)	C[5,5](C[5,5]C[6a]O[5]2)(C[5]C[5]C)2(H)	C[5](C[5]C[5,5]C)(C[6a]C[6a]2)(O[5]C[5,5])	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5])(COO){1|C<2>,1|O<2>,4|C<3>}	C[5,5](C[5,5]C[6a]O[5]2)(C[5]C[5]C)2(H){1|N<3>,3|C<3>}	C[5](C[5]C[5,5]C)(C[6a]C[6a]2)(O[5]C[5,5]){1|O<2>,3|H<1>,4|C<3>}	109.7790	0.441	2	109.7790	0.195	2	109.7790	0.195	2	109.7790	0.195	2	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	4:3:3:1:	3:4:4:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-4:C-4:	C[5](C[5,5]C[5,5]N[5]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[6a]C[5])(N[5]C[5,6a]C)(H)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(CH3)	C[5](C[5,5]C[5,5]N[5]H)(C[6a]C[6a]2)(C[5]C[5]C){2|C<4>,4|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[6a]C[5])(N[5]C[5,6a]C)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(CH3){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	110.3180	0.042	2	110.3180	0.002	2	110.3180	0.002	2	110.3180	0.002	2	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	4:3:3:1:	4:3:1:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(COO)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]C)(C[5]N[5]O)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(COO){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]C)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H){2|C<3>,2|H<1>}	112.0220	0.000	1	112.0220	0.000	1	112.0220	0.000	1	111.8657	0.029	3	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	4:3:3:1:	4:3:1:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:N[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]H)(COO)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(C[5]C[5]C)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]C)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]H)(COO){1|H<1>,2|C<4>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(C[5]C[5]C)(H){2|H<1>,3|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]C)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	111.8920	0.000	1	111.8920	0.000	1	111.7875	0.022	2	111.8657	0.029	3	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	4:3:3:1:	4:3:1:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:N[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]H)(COO)	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(C[5]C[5]C)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]H)(COO){1|N<3>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(C[5]C[5]C)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H){1|C<3>,1|H<1>,2|N<3>}	111.6830	0.000	1	111.6830	0.000	1	111.7875	0.022	2	111.8657	0.029	3	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	4:3:3:1:	4:3:2:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:N[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:O-2:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]O)(CN[6]O)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[5]C[5]C)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(OSi)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]O)(CN[6]O){1|C<4>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[5]C[5]C)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(OSi){1|C<3>,1|N<3>,2|H<1>}	110.9625	0.298	2	110.9625	0.089	2	110.9625	0.089	2	110.9625	0.089	2	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	4:3:3:2:	3:3:1:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:C[5]-3:C[5]-3:O-2:	N[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[5]H)(CC[6a]O)	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5]C[5,6a]O)(C[5]C[5]C)(OH)	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]C)(H)	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[5]H)(CC[6a]O){1|O<1>,1|O<2>,3|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5]C[5,6a]O)(C[5]C[5]C)(OH){1|H<1>,3|C<3>}	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]C)(H){2|O<2>,4|C<3>}	108.2565	0.021	2	108.2565	0.000	2	108.2565	0.000	2	109.8287	3.309	4	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	4:3:3:2:	3:3:1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:C[6a]-3:O[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a])	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]H){1|O<1>,2|H<1>,7|C<3>}	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a]){1|O<1>,3|H<1>,8|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(H){1|O<2>,5|C<3>}	111.4010	0.195	2	111.4010	0.038	2	111.4010	0.038	2	109.8287	3.309	4	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	4:3:3:2:	3:3:2:	C[5,5]-4:C[5]-3:N-3:	C[5,5]-4:C[5]-3:C[5]-3:O-2:	N[5]-3:C[5]-3:S-2:	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[5]S)(NOO)	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5]C[5,6a]O)(C[5]C[5]N)(OH)	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]N)(SC)	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[5]S)(NOO){1|O<1>,1|O<2>,3|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5]C[5,6a]O)(C[5]C[5]N)(OH){1|S<2>,3|C<3>}	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]N)(SC){2|O<2>,4|C<3>}	111.9140	0.257	2	111.9140	0.066	2	111.9140	0.066	2	110.2270	3.817	4	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	4:3:3:2:	3:3:2:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:C[6a]-3:O[5]-2:	C[5]-3:C[5]-3:O-2:	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a])	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(OS)	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]O){1|O<1>,1|O<2>,2|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a]){1|O<1>,1|O<2>,2|H<1>,6|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(OS){2|O<2>,4|C<3>}	108.5400	0.000	2	108.5400	0.000	2	108.5400	0.000	2	110.2270	3.817	4	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	4:3:3:2:	3:3:3:	C[5,5]-4:C[5]-3:C-3:	C[5,5,6]-4:C[5]-3:C[5]-3:O-2:	C[5,6]-3:C[5]-3:C-3:	C[5](C[5,5]C[5,5,6]C[5]O)(C[5]C[5,6]C)(COO)	C[5,5](C[5,5,6]C[5,6]N[5,6]C)(C[5]C[6a]C[5])(C[5]C[5]C)(OH)	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]C)(COO)	C[5](C[5,5]C[5,5,6]C[5]O)(C[5]C[5,6]C)(COO){1|C<4>,1|N<3>,3|C<3>}	C[5,5](C[5,5,6]C[5,6]N[5,6]C)(C[5]C[6a]C[5])(C[5]C[5]C)(OH){6|C<3>}	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]C)(COO){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	111.6300	0.000	1	111.6300	0.000	1	111.6300	0.000	1	109.9080	2.226	4	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	4:3:3:2:	3:3:3:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:C[5]-3:C[5]-3:O-2:	N[5]-3:C[5]-3:C-3:	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[5]C)(COO)	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5]C[5,6a]O)(C[5]C[5]C)(OH)	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]C)(COO)	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[5]C)(COO){1|O<1>,1|O<2>,3|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5]C[5,6a]O)(C[5]C[5]C)(OH){4|C<3>}	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]C)(COO){2|O<2>,4|C<3>}	109.3730	0.000	1	109.3730	0.000	1	109.3730	0.000	1	109.9080	2.226	4	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	4:3:3:2:	3:3:3:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[5]-3:C-3:	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]C)(CC[6a]O)	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5])	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]C)(CC[6a]O)	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]C)(CC[6a]O){1|N<2>,1|N<3>,4|C<3>}	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]){2|H<1>,7|C<3>}	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]C)(CC[6a]O){2|N<2>,4|C<3>}	108.1480	0.000	1	108.1480	0.000	1	108.1480	0.000	1	109.9080	2.226	4	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	4:3:3:2:	3:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,5,6]-4:C[5]-3:C[5]-3:O-2:	N[5,6]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5,6]C[5]O)(C[5]N[5,6]C[6a])(C[6a]C[6a]2)	C[5,5](C[5,5,6]C[5,6]N[5,6]C)(C[5]C[6a]C[5])(C[5]C[5]C)(OH)	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5]C[6a])(C[6a]C[6a]2)	C[5](C[5,5]C[5,5,6]C[5]O)(C[5]N[5,6]C[6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	C[5,5](C[5,5,6]C[5,6]N[5,6]C)(C[5]C[6a]C[5])(C[5]C[5]C)(OH){6|C<3>}	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,7|C<3>}	110.4810	0.000	1	110.4810	0.000	1	110.4810	0.000	1	109.9080	2.226	4	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	4:3:3:2:	3:3:4:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:C[6a]-3:O[5]-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a])	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,3|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a]){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,1|O<2>,4|C<3>}	112.4640	0.000	1	112.4640	0.000	1	112.4640	0.000	1	112.4640	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	4:3:3:2:	3:4:1:	C[5,5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-4:H-1:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]H)(COO)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]O[5]O)(N[5]C[5])	C[5](C[5]C[5,5]C)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]H)(COO){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]O[5]O)(N[5]C[5]){3|C<3>,3|H<1>}	C[5](C[5]C[5,5]C)(C[5]C[5]HH)(H){1|H<1>,1|N<2>,2|C<3>}	110.0040	0.000	1	110.0040	0.000	1	110.0040	0.000	1	110.2530	0.139	3	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	4:3:3:2:	3:4:1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:C[5]-3:S[5]-2:	C[5]-3:C[5]-4:H-1:	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5,5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(C[5]C[5,6a]O)(S[5]C[5,6a])	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]CO)(H)	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]C[5]H){1|O<1>,1|O<2>,2|H<1>,7|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(C[5]C[5,6a]O)(S[5]C[5,6a]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,7|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]CO)(H){1|S<2>,5|C<3>}	110.3775	0.431	2	110.3775	0.185	2	110.3775	0.185	2	110.2530	0.139	3	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	4:3:3:2:	4:3:1:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:C[5]-3:C[5]-3:C-2:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]H)(CSiO)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]C)(C[5]C[5]O)(CN)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]H)(CSiO){1|O<1>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]C)(C[5]C[5]O)(CN){7|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	110.3400	0.000	1	110.3400	0.000	1	110.3400	0.000	1	110.3400	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	4:3:3:3:	3:3:1:	C[5,5]-4:C[5]-3:C-3:	C[5,6]-4:C[5,6a]-3:C[5]-3:C[5]-3:	N[5,6]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]H)(COO)	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]C)(H)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]H)(COO){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]C)(H){1|C<4>,3|C<3>,3|H<1>}	108.9680	0.066	2	108.9680	0.004	2	108.9680	0.004	2	108.9680	0.004	2	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	4:3:3:3:	3:3:3:	C[5,5]-4:C[5]-3:C-3:	C[5,6]-4:C[5,6a]-3:C[5,6a]-3:C[5]-3:	N[5,6]-3:C[5]-3:C-3:	C[5](C[5,5]C[5,6a]2C[5,6])(C[5]N[5,6]C)(COO)	C[5,5](C[5,6]C[6,6a]N[5,6]C)(C[5,6a]C[5,6a]C[6a])2(C[5]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]C)(COO)	C[5](C[5,5]C[5,6a]2C[5,6])(C[5]N[5,6]C)(COO){1|C<4>,6|C<3>}	C[5,5](C[5,6]C[6,6a]N[5,6]C)(C[5,6a]C[5,6a]C[6a])2(C[5]C[5]C){1|C<4>,2|H<1>,7|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]C)(COO){1|C<4>,2|H<1>,4|C<3>}	108.8600	0.000	1	108.8600	0.000	1	108.8600	0.000	1	108.8600	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	4:3:3:3:	3:4:1:	C[5,5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-4:O-1:	C[5](C[5,5]C[5]3)(C[5]C[5]O)(CC[6a]H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]C)(C[5]N[5]O)	C[5](C[5]C[5,5]C)(C[5]C[5]CH)(O)	C[5](C[5,5]C[5]3)(C[5]C[5]O)(CC[6a]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]C)(C[5]N[5]O){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5]C[5,5]C)(C[5]C[5]CH)(O){1|H<1>,3|C<3>}	108.2660	0.000	1	108.2660	0.000	1	108.1620	0.022	2	108.1620	0.022	2	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	4:3:3:3:	3:4:1:	C[5,5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-4:O-1:	C[5](C[5,5]C[5]3)(C[5]C[5]O)(CC[6a]H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]C)(C[5]N[5]O)	C[5](C[5]C[5,5]C)(C[5]C[5]HH)(O)	C[5](C[5,5]C[5]3)(C[5]C[5]O)(CC[6a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]C)(C[5]N[5]O){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5]C)(C[5]C[5]HH)(O){1|H<1>,3|C<3>}	108.0580	0.000	1	108.0580	0.000	1	108.1620	0.022	2	108.1620	0.022	2	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	4:3:3:3:	4:3:1:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:C[5,6a]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5,5]H)(COO)	C[5,5](C[5,5]C[5,6a]C[5,5]N)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5,5]C)(H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5,5]H)(COO){1|H<1>,1|O<1>,3|C<3>,3|N<3>}	C[5,5](C[5,5]C[5,6a]C[5,5]N)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5,5]C)(H){1|N<3>,5|C<3>}	113.2340	0.549	2	113.2340	0.301	2	113.2340	0.301	2	113.2340	0.301	2	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	4:3:3:3:	4:3:2:	C[5,5]-4:C[5]-3:N-3:	C[5]-4:C[5]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-2:	C[5](C[5,5]C[5]3)(C[5]C[5,5]C)(NHH)	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[5]N)(C[5]N[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]N)(CN)	C[5](C[5,5]C[5]3)(C[5]C[5,5]C)(NHH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[5]N)(C[5]N[5]C)(C[5]N[5]O){1|C<2>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]N)(CN){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	111.5895	0.069	2	111.5895	0.005	2	111.5895	0.005	2	111.5895	0.005	2	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	4:3:3:4:	3:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,5](C[5,5]C[5]P[5]H)(C[5]C[6a]C[5])(C[5]C[5]C)(CH3)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|O<1>,1|P<4>,3|H<1>,5|C<3>}	C[5,5](C[5,5]C[5]P[5]H)(C[5]C[6a]C[5])(C[5]C[5]C)(CH3){1|H<1>,1|O<1>,1|W<6>,4|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2){1|C<4>,1|P<4>,3|H<1>,5|C<3>}	112.8080	0.000	1	112.8080	0.000	1	112.8080	0.000	1	112.8080	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	4:3:4:1:	3:4:1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5]-3:S[5]-4:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]S[5]H)	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[6a]C[5])(C[5]C[5]CO)(H)	C[5](C[5]C[5,5]C[6a])(S[5]C[5,5]OO)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]S[5]H){1|O<2>,2|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[6a]C[5])(C[5]C[5]CO)(H){2|O<1>,3|C<3>,4|H<1>}	C[5](C[5]C[5,5]C[6a])(S[5]C[5,5]OO)(H){2|C<3>,2|C<4>,2|H<1>}	115.5660	0.000	1	115.5660	0.000	1	115.5660	0.000	1	115.5660	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	4:3:4:1:	3:4:4:	C[5,5]-4:C[5a]-3:C[5]-3:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5]-3:C[5]-4:C-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]O[5a])(C[5]C[5]C)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5a]C[5])(C[5]C[5]CH)(H)	C[5](C[5]C[5,5]C[5a])(C[5]C[5,5]HH)(CH3)	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]O[5a])(C[5]C[5]C){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5a]C[5])(C[5]C[5]CH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,5]C[5a])(C[5]C[5,5]HH)(CH3){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	112.7528	0.345	5	112.7528	0.119	5	112.7528	0.119	5	112.7528	0.119	5	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	4:3:4:1:	4:3:4:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	B[5]-4:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]B[5]C)	C[5,5](C[5,5]B[5]C[5]H)(C[5]C[6a]C[5])(C[5]C[5]HH)(H)	C[5](B[5]C[5,5]C[6a]2)(C[5]C[5,5]C[6a])(CH3)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]B[5]C){5|H<1>,6|C<3>}	C[5,5](C[5,5]B[5]C[5]H)(C[5]C[6a]C[5])(C[5]C[5]HH)(H){1|C<4>,1|H<1>,5|C<3>}	C[5](B[5]C[5,5]C[6a]2)(C[5]C[5,5]C[6a])(CH3){1|C<4>,2|H<1>,7|C<3>}	114.0330	0.231	2	114.0330	0.053	2	114.0330	0.053	2	114.0330	0.053	2	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	4:4:3:1:	3:2:1:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]H)(CCO)	C[5,5](C[5,5]N[5]O[5]C)(C[5]C[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5,5]C)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]H)(CCO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5](C[5,5]N[5]O[5]C)(C[5]C[5]CH)(C[5]C[5]C)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5,5]C)(O[5]C[5,5])(H){1|H<1>,1|N<3>,2|C<4>}	109.2090	0.000	1	109.2090	0.000	1	109.2090	0.000	1	109.6700	0.756	7	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	4:4:3:1:	3:2:1:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CHO)	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5,5]C)(O[5]C[5,5])(O)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CHO){2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HH)(C[5]C[5]C)(H){1|O<1>,2|C<3>}	C[5](C[5]C[5,5]C)(O[5]C[5,5])(O){1|C<3>,1|C<4>,2|H<1>}	110.1760	1.638	2	110.1760	2.682	2	109.9426	0.784	5	109.6700	0.756	7	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	4:4:3:1:	3:2:1:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CHO)	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HO)(C[5]C[5]C)(H)	C[5](C[5]C[5,5]C)(O[5]C[5,5])(O)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CHO){1|O<2>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HO)(C[5]C[5]C)(H){1|O<1>,2|C<3>}	C[5](C[5]C[5,5]C)(O[5]C[5,5])(O){1|C<3>,1|C<4>,2|H<1>}	109.7870	0.369	3	109.7870	0.136	3	109.9426	0.784	5	109.6700	0.756	7	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	4:4:3:1:	3:2:1:	C[5,5]-4:C[5]-3:C-3:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]O)(CHH)	C[5,5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5]O[5]H)(C[5]C[5]C)(H)	C[5](C[5]C[5,5]C)(O[5]C[5,5])(O)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]O)(CHH){2|H<1>,3|C<4>}	C[5,5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5]O[5]H)(C[5]C[5]C)(H){1|O<1>,3|H<1>,4|C<4>}	C[5](C[5]C[5,5]C)(O[5]C[5,5])(O){2|C<4>,2|H<1>}	108.7680	0.000	1	108.7680	0.000	1	108.7680	0.000	1	109.6700	0.756	7	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	4:4:3:1:	3:2:3:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:N-3:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]N)(COO)	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5]C[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5,5]C)(O[5]C[5,5])(NHH)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]N)(COO){1|H<1>,1|N<3>,3|C<3>}	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5]C[5]CH)(C[5]C[5]C)(H){1|N<3>,1|S<1>,3|C<3>}	C[5](C[5]C[5,5]C)(O[5]C[5,5])(NHH){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	109.3700	0.000	1	109.3700	0.000	1	109.3700	0.000	1	109.3700	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	4:4:3:1:	3:2:4:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:C-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]C)(COO)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5,5]C)(O[5]C[5,5])(CCHH)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]C)(COO){2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]C)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5,5]C)(O[5]C[5,5])(CCHH){2|C<4>,2|H<1>}	109.8490	0.000	1	109.8490	0.000	1	109.8490	0.000	1	109.8490	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	4:4:3:1:	3:3:1:	C[5,5]-4:C[5]-3:C-3:	C[5,5,6]-4:C[5]-4:C[5]-3:H-1:	N[5,6]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5,6]H)(COO)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5]C)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5,6]H)(COO){3|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(C[5]C[5]C)(H){1|C<3>,2|C<4>,3|H<1>}	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5]C)(H){3|C<4>,4|H<1>}	109.3080	0.000	1	109.3080	0.000	1	109.3080	0.000	1	108.3177	1.789	3	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	4:4:3:1:	3:3:1:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]H)(CC[6a]O)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]2C[5])(C[5]C[5]C)(H)	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]H)(CC[6a]O){1|C<4>,1|H<1>,4|C<3>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]2C[5])(C[5]C[5]C)(H){1|O<1>,3|H<1>,5|C<3>}	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]C)(H){2|C<3>,2|C<4>,2|H<1>}	108.8490	0.000	1	108.8490	0.000	1	108.8490	0.000	1	108.3177	1.789	3	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	4:4:3:1:	3:3:1:	C[5,5]-4:C[5]-3:C-3:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]N[5]O)(CC[6]O)	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]N[5]O[5]C)(C[5]C[5]C)(H)	C[5](C[5]C[5,5]C)(N[5]C[5,5]H)(O)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]N[5]O)(CC[6]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]N[5]O[5]C)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|O<1>}	C[5](C[5]C[5,5]C)(N[5]C[5,5]H)(O){1|H<1>,1|O<2>,2|C<4>}	106.7960	0.000	1	106.7960	0.000	1	106.7960	0.000	1	108.3177	1.789	3	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	4:4:3:1:	3:3:3:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:N-3:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]N)(CHH)	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5,5]C)(C[5]C[5,5]H)(NCS)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]N)(CHH){1|O<2>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HH)(C[5]C[5]C)(H){1|N<3>,5|H<1>}	C[5](C[5]C[5,5]C)(C[5]C[5,5]H)(NCS){1|H<1>,1|O<2>,2|C<4>}	106.6070	0.000	1	106.6070	0.000	1	106.6070	0.000	1	106.6070	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	4:4:3:1:	3:4:1:	C[5,5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-4:O-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O[5])(C[5]C[5]O)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]HH)(C[5]C[5]2)(H)	C[5](C[5]C[5,5]C[5])(C[5]C[5,5]HH)(O)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O[5])(C[5]C[5]O){1|O<2>,3|C<4>,7|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]HH)(C[5]C[5]2)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[5,5]C[5])(C[5]C[5,5]HH)(O){2|C<4>,2|H<1>,2|O<2>}	110.9965	0.917	2	110.9965	0.841	2	110.9965	0.841	2	110.9965	0.841	2	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	4:4:3:1:	3:4:4:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-4:C-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[6a]C[5])(H)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(CH3)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C){4|C<3>,7|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[6a]C[5])(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(CH3){1|C<4>,2|H<1>,3|C<3>}	111.8160	0.000	1	111.8160	0.000	1	111.8160	0.000	1	111.8160	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	4:4:3:1:	4:3:1:	C[5,5]-4:C[5]-3:C-3:	C[3x5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]H)(COO)	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]C)(H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]H)(COO){3|H<1>,4|C<4>}	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]C)(H){3|C<4>,7|H<1>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]C)(H){3|H<1>,4|C<4>}	113.4070	0.000	1	113.4070	0.000	1	113.4070	0.000	1	112.5948	1.410	5	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	4:4:3:1:	4:3:1:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(CCO)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(CCO){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]C)(H){1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5,5]CC)(C[5]C[5,5]C)(H){1|C<4>,1|O<2>,2|H<1>}	110.5610	0.000	1	110.5610	0.000	1	112.3918	1.606	4	112.5948	1.410	5	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	4:4:3:1:	4:3:1:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(COO)	C[5,5](C[5,5]C[5]2H)(C[5]O[5]HO)(C[5]C[5]C)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(COO){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]O[5]HO)(C[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(H){1|C<3>,1|C<4>,2|H<1>}	112.5550	0.000	1	112.5550	0.000	1	112.3918	1.606	4	112.5948	1.410	5	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	4:4:3:1:	4:3:1:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(COO)	C[5,5](C[5,5]C[5]2S)(C[5]O[5]HO)(C[5]C[5]C)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(COO){1|C<3>,1|C<4>,1|S<3>,2|H<1>,2|O<2>}	C[5,5](C[5,5]C[5]2S)(C[5]O[5]HO)(C[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(H){1|C<3>,1|C<4>,1|H<1>,1|S<3>}	113.0700	0.000	1	113.0700	0.000	1	112.3918	1.606	4	112.5948	1.410	5	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	4:4:3:1:	4:3:1:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(COO)	C[5,5](C[5,5]C[5]2S)(C[5]O[5]HO)(C[5]C[5]C)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(COO){1|C<3>,1|S<3>,2|O<2>,3|H<1>}	C[5,5](C[5,5]C[5]2S)(C[5]O[5]HO)(C[5]C[5]C)(H){1|O<1>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H){1|C<3>,1|C<4>,1|H<1>,1|S<3>}	113.3810	0.000	1	113.3810	0.000	1	112.3918	1.606	4	112.5948	1.410	5	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	4:4:3:1:	4:3:2:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:O-2:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(COO)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(OC)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(COO){3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]C)(H){1|H<1>,2|C<3>,2|O<2>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(OC){1|C<3>,1|C<4>,2|H<1>}	111.4797	0.385	4	111.4797	0.148	4	111.8305	0.202	10	111.8305	0.202	10	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	4:4:3:1:	4:3:2:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:O-2:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(COO)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(OH)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(COO){3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]C)(H){1|H<1>,2|C<3>,2|O<2>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(OH){1|C<3>,1|C<4>,2|H<1>}	112.0643	0.333	6	112.0643	0.111	6	111.8305	0.202	10	111.8305	0.202	10	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	4:4:3:2:	3:2:4:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:C[5]-4:C[5]-3:O-2:	C[5]-3:O[5]-2:C-4:	C[5](C[5,5]C[5,5]C[5]O)(C[5]O[5]C)(CCO)	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]HH)(C[5]C[5]C)(OH)	C[5](C[5]C[5,5]C)(O[5]C[5,5])(CH3)	C[5](C[5,5]C[5,5]C[5]O)(C[5]O[5]C)(CCO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]HH)(C[5]C[5]C)(OH){1|C<4>,2|H<1>}	C[5](C[5]C[5,5]C)(O[5]C[5,5])(CH3){1|C<3>,1|O<2>,2|C<4>}	109.5080	0.000	1	109.5080	0.000	1	109.5080	0.000	1	109.5080	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	4:4:3:2:	4:3:1:	C[5,5]-4:C[5]-3:C-3:	C[5,5,6]-4:C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,5,6]C[5]O)(C[5]C[5]H)(CCO)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]C[5]C)(OH)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]C)(H)	C[5](C[5,5]C[5,5,6]C[5]O)(C[5]C[5]H)(CCO){1|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]C[5]C)(OH){1|O<1>,2|C<4>,6|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]C)(H){1|C<3>,1|O<2>,2|C<4>}	111.2325	0.327	2	111.2325	0.107	2	111.2325	0.107	2	111.2325	0.107	2	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	4:4:3:3:	3:3:4:	C[5,5]-4:C[5]-3:C-3:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:C-4:	C[5](C[5,5]C[5]3)(C[5]N[5]C)(COO)	C[5,5](C[5]C[5]HH)2(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5]C[5,5]C)(N[5]C[5]C)(CH3)	C[5](C[5,5]C[5]3)(C[5]N[5]C)(COO){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]C[5]C)(C[5]N[5]O){2|C<4>,2|H<1>}	C[5](C[5]C[5,5]C)(N[5]C[5]C)(CH3){1|O<1>,2|C<4>}	109.7670	0.000	1	109.7670	0.000	1	109.7670	0.000	1	109.7670	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	4:4:3:3:	3:4:1:	C[5,5]-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]N[5])(C[5]C[5]H)	C[5,5](C[5]C[5]HH)2(C[5]C[5]2)(N[5]C[5]H)	C[5](C[5]C[5,5]C[5])(C[5]C[5]HH)(H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]N[5])(C[5]C[5]H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,8|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]C[5]2)(N[5]C[5]H){1|C<3>,1|N<3>,1|O<1>,5|H<1>}	C[5](C[5]C[5,5]C[5])(C[5]C[5]HH)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	111.1260	0.000	1	111.1260	0.000	1	111.1260	0.000	1	111.1260	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	4:4:3:4:	4:3:2:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:O-2:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]O)(COO)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]CH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(OC)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]O)(COO){1|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5]2C)(C[5]C[5]CH)(C[5]C[5]C)(CH3){1|H<1>,2|C<3>,2|O<2>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(OC){1|C<3>,3|C<4>}	112.0045	0.104	2	112.0045	0.011	2	112.0703	0.017	4	112.0703	0.017	4	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:3:	4:4:3:4:	4:3:2:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:O-2:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]O)(COO)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]CH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(OH)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]O)(COO){1|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5]2C)(C[5]C[5]CH)(C[5]C[5]C)(CH3){1|H<1>,2|C<3>,2|O<2>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(OH){1|C<3>,3|C<4>}	112.1360	0.147	2	112.1360	0.022	2	112.0703	0.017	4	112.0703	0.017	4	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:4:	3:3:3:2:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]2O[5])(C[5]C[5,6a]H)(CC[6a]CH)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]C)(O[5]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C)(H)	C[5](C[5,5]C[5,6a]2O[5])(C[5]C[5,6a]H)(CC[6a]CH){1|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]C)(O[5]C[5]){1|C<4>,4|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C)(H){1|H<1>,1|O<2>,3|C<3>}	109.3060	0.000	1	109.3060	0.000	1	109.3060	0.000	1	109.3060	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:4:	3:3:3:3:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5a]-3:C[5,6a]-3:C[5]-3:C[5]-3:	C[5,5a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,5a]C[5,6a]C[5])(C[5]C[5,5a]H)(CH3)	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5]C)(H)	C[5](C[5,5]C[5,5a]C[5,6a]C[5])(C[5]C[5,5a]H)(CH3){1|N<3>,1|O<1>,1|S<2>,3|C<3>}	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5]C)(H){4|C<3>}	110.4750	0.000	1	110.4750	0.000	1	110.4750	0.000	1	110.4750	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:4:	3:3:3:4:	3:3:4:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-3:As[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]As[5]C)(C[5]C[5]C)(CH3)	C[5,5](C[5,5]Si[5]C[5])(As[5]N[5]Cl)(C[5]C[5]C)(CH3)	C[5](C[5]C[5,5]C)2(CH3)	C[5](C[5,5]C[5,5]As[5]C)(C[5]C[5]C)(CH3){1|Cl<1>,1|Si<4>,1|C<4>,1|N<3>}	C[5,5](C[5,5]Si[5]C[5])(As[5]N[5]Cl)(C[5]C[5]C)(CH3){5|C<4>}	C[5](C[5]C[5,5]C)2(CH3){1|As<3>,1|Si<4>,1|C<4>}	108.6720	0.000	2	108.6720	0.000	2	108.6720	0.000	2	108.6720	0.000	2	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:4:	3:4:2:3:	3:4:4:	C[5,5]-4:C[5]-3:C-4:	C[5]-3:C[5]-4:O[5]-2:C[5]-3:	C[5]-3:C[5]-4:C-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(CH3)	C[5,5](C[5]C[5,6]O)(C[5]C[5]HO)(O[5]C[5,6])(C[5]C[5]C)	C[5](C[5]C[5,5]C)(C[5]C[5]CC)(CCHH)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(CH3){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[5,5](C[5]C[5,6]O)(C[5]C[5]HO)(O[5]C[5,6])(C[5]C[5]C){1|H<1>,6|C<4>}	C[5](C[5]C[5,5]C)(C[5]C[5]CC)(CCHH){1|C<3>,1|H<1>,2|O<2>}	111.1080	0.230	3	111.1080	0.053	3	111.1080	0.053	3	111.1080	0.053	3	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:4:	3:4:3:1:	4:3:1:	C[5,5]-4:C[5]-3:C-4:	C[5,6a]-3:C[3,5,5]-4:C[5]-3:H-1:	C[3,5]-4:C[5]-3:H-1:	C[5](C[5,5]C[3,5,5]C[5,6a]H)(C[5]C[3,5]H)(CC[6a]HO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5,5]C[3,5]2H)(C[5]C[5]C)(H)	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5]C[5,5]C)(H)	C[5](C[5,5]C[3,5,5]C[5,6a]H)(C[5]C[3,5]H)(CC[6a]HO){1|C<4>,2|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5,5]C[3,5]2H)(C[5]C[5]C)(H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5]C[5,5]C)(H){2|H<1>,3|C<3>}	109.7420	0.000	1	109.7420	0.000	1	109.7420	0.000	1	109.6085	2.576	4	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:4:	3:4:3:1:	4:3:1:	C[5,5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(CC[6a]HO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]C)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(CC[6a]HO){3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H){2|C<3>,2|H<1>}	111.4770	0.000	1	111.4770	0.000	1	111.4770	0.000	1	109.6085	2.576	4	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:4:	3:4:3:1:	4:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]H)(CHHO)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)(C[5]C[5]C)(H)	C[5](C[5]N[5,5]HH)(C[5]C[5,5]C)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]H)(CHHO){1|O<2>,2|C<4>,3|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)(C[5]C[5]C)(H){7|H<1>}	C[5](C[5]N[5,5]HH)(C[5]C[5,5]C)(H){1|H<1>,2|C<4>}	108.6075	1.488	2	108.6075	2.216	2	108.6075	2.216	2	109.6085	2.576	4	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:4:	3:4:3:3:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]H)(CCHH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[5]C[5,6a]O)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]H)(CCHH){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[5]C[5,6a]O)(C[5]C[5]C){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C)(H){1|C<4>,1|H<1>,3|C<3>}	109.3040	0.000	1	109.3040	0.000	1	109.3040	0.000	1	109.3040	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:4:	3:4:3:4:	3:3:3:	C[5,5]-4:C[5]-3:C-4:	C[5]-3:C[5,5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(CCHH)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(CCHH){1|C<4>,6|C<3>}	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]C[5]C)(CCHH){1|C<4>,5|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	109.8475	1.481	2	109.8475	2.195	2	110.5722	1.584	4	110.5722	1.584	4	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:4:	3:4:3:4:	3:3:3:	C[5,5]-4:C[5]-3:C-4:	C[5]-3:C[5,5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(CH3)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(CH3){1|C<4>,6|C<3>}	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]C[5]C)(CH3){1|C<4>,5|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	111.2970	0.675	2	111.2970	0.455	2	110.5722	1.584	4	110.5722	1.584	4	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:4:	3:4:3:4:	3:3:4:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-3:Si[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]Si[5]C)(C[5]C[5]C)(CH3)	C[5,5](C[5,5]C[5]P[5])(Si[5]N[5]CC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5,5]C)2(CH3)	C[5](C[5,5]C[5,5]Si[5]C)(C[5]C[5]C)(CH3){1|N<3>,1|P<3>,3|C<4>}	C[5,5](C[5,5]C[5]P[5])(Si[5]N[5]CC)(C[5]C[5]C)(CH3){1|Cl<1>,3|C<4>}	C[5](C[5]C[5,5]C)2(CH3){1|Si<4>,1|C<4>,1|P<3>}	109.9930	0.000	2	109.9930	0.000	2	109.9930	0.000	2	109.9930	0.000	2	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:4:	4:2:3:2:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	C[5]-4:O[5]-2:C[5]-3:O[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]H)(CH3)	C[5,5](C[5]C[5,6]HH)(O[5]C[5,6])(C[5]C[5]C)(O[5]C[5])	C[5](C[5]C[5,5]C)(C[5]O[5]O)(H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]H)(CH3){1|O<1>,2|C<4>,2|H<1>}	C[5,5](C[5]C[5,6]HH)(O[5]C[5,6])(C[5]C[5]C)(O[5]C[5]){1|O<1>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]C)(C[5]O[5]O)(H){1|C<4>,1|O<2>}	109.2910	0.000	1	109.2910	0.000	1	109.2910	0.000	1	109.2910	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:4:	4:2:3:4:	4:3:4:	C[5,5]-4:C[5]-3:C-4:	C[5,5,6]-4:O[5]-2:C[5]-3:C-4:	C[5,6]-4:C[5]-3:C-4:	C[5](C[5,5]C[5,5,6]O[5]C)(C[5]C[5,6]C)(CH3)	C[5,5](C[5,5,6]C[5,6]2C)(O[5]P[5,6])(C[5]C[5]C)(CH3)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]C)(CH3)	C[5](C[5,5]C[5,5,6]O[5]C)(C[5]C[5,6]C)(CH3){1|P<4>,4|C<4>}	C[5,5](C[5,5,6]C[5,6]2C)(O[5]P[5,6])(C[5]C[5]C)(CH3){1|C<3>,1|H<1>,1|O<2>,1|W<6>,3|C<4>}	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]C)(CH3){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	111.8800	0.000	1	112.1983	0.057	4	112.1983	0.057	4	112.1983	0.057	4	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:4:	4:2:3:4:	4:3:4:	C[5,5]-4:C[5]-3:C-4:	C[5,5,6]-4:O[5]-2:C[5]-3:C-4:	C[5,6]-4:C[5]-3:C-4:	C[5](C[5,5]C[5,5,6]O[5]C)(C[5]C[5,6]C)(CH3)	C[5,5](C[5,5,6]C[5,6]2C)(O[5]P[5,6])(C[5]C[5]C)(CH3)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]C)(CH3)	C[5](C[5,5]C[5,5,6]O[5]C)(C[5]C[5,6]C)(CH3){1|P<4>,4|C<4>}	C[5,5](C[5,5,6]C[5,6]2C)(O[5]P[5,6])(C[5]C[5]C)(CH3){1|Cr<6>,1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]C)(CH3){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	112.2490	0.000	1	112.1983	0.057	4	112.1983	0.057	4	112.1983	0.057	4	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:4:	4:2:3:4:	4:3:4:	C[5,5]-4:C[5]-3:C-4:	C[5,5,6]-4:O[5]-2:C[5]-3:C-4:	C[5,6]-4:C[5]-3:C-4:	C[5](C[5,5]C[5,5,6]O[5]C)(C[5]C[5,6]C)(CH3)	C[5,5](C[5,5,6]C[5,6]2C)(O[5]P[5,6])(C[5]C[5]C)(CH3)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]C)(CH3)	C[5](C[5,5]C[5,5,6]O[5]C)(C[5]C[5,6]C)(CH3){1|P<4>,4|C<4>}	C[5,5](C[5,5,6]C[5,6]2C)(O[5]P[5,6])(C[5]C[5]C)(CH3){1|Mo<6>,1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]C)(CH3){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	112.3320	0.177	2	112.1983	0.057	4	112.1983	0.057	4	112.1983	0.057	4	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:4:	4:3:2:1:	3:3:3:	C[5,5]-4:C[5]-3:C-4:	C[5,5,6]-4:C[5]-3:O[5]-2:H-1:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]C[6a])(CH3)	C[5,5](C[5,5,6]C[5,6]2C)(C[5]C[5]C)(O[5]C[5])(H)	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]C)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]C[6a])(CH3){1|C<4>,5|C<3>}	C[5,5](C[5,5,6]C[5,6]2C)(C[5]C[5]C)(O[5]C[5])(H){1|O<1>,1|O<2>,3|C<3>}	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]C)(C[6a]C[6a]2){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	109.9000	0.000	1	109.9000	0.000	1	109.9000	0.000	1	109.9000	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:4:	4:3:2:1:	4:3:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(CH3)	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]C)(O[5]C[5])(H)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]C)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(CH3){1|C<3>,1|O<2>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]C)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	C[5](C[5]C[5,5]CC)(C[5]C[5,5]C)(H){1|C<4>,1|H<1>,2|O<2>}	109.7960	0.000	1	109.7960	0.000	1	109.7960	0.000	1	109.7960	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:4:	4:3:2:2:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:O[5]-2:O[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]H)(CH3)	C[5,5](C[5]C[5]HH)(C[5]C[5]C)(O[5]C[5])2	C[5](C[5]C[5,5]C)(C[5]O[5]O)(H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]H)(CH3){1|O<1>,2|C<4>,2|H<1>}	C[5,5](C[5]C[5]HH)(C[5]C[5]C)(O[5]C[5])2{1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]C)(C[5]O[5]O)(H){1|C<4>,1|O<2>}	108.6250	0.000	1	108.6250	0.000	1	108.6250	0.000	1	108.6250	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:4:	4:3:2:2:	3:3:3:	C[5,5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:O[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5])(CCHH)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]C)(O[5]C[5])2	C[5](C[5]C[5,5]C)(C[6a]C[6a]2)(C[5]O[5]O)	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5])(CCHH){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]C)(O[5]C[5])2{1|O<1>,3|C<3>,4|H<1>}	C[5](C[5]C[5,5]C)(C[6a]C[6a]2)(C[5]O[5]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	109.3110	0.000	1	109.3110	0.000	1	109.6055	0.173	2	109.6055	0.173	2	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:4:	4:3:2:2:	3:3:3:	C[5,5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:O[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5])(CH3)	C[5,5](C[5]C[5,6]HH)(C[5]C[5]C)(O[5]C[5])2	C[5](C[5]C[5,5]C)(C[6a]C[6a]2)(C[5]O[5]O)	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5])(CH3){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5]C[5,6]HH)(C[5]C[5]C)(O[5]C[5])2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]C)(C[6a]C[6a]2)(C[5]O[5]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	109.9000	0.000	1	109.9000	0.000	1	109.6055	0.173	2	109.6055	0.173	2	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:4:	4:3:2:4:	4:3:4:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]C)(CH3)	C[5,5](C[5,5]C[5]P[5]C)(C[5]C[5]C)(O[5]C[5])(CH3)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(CH3)	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]C)(CH3){1|H<1>,1|P<4>,3|C<4>}	C[5,5](C[5,5]C[5]P[5]C)(C[5]C[5]C)(O[5]C[5])(CH3){1|C<3>,1|F<1>,1|W<6>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(CH3){1|O<2>,1|P<4>,2|C<4>}	111.8980	0.000	1	112.2363	0.102	3	112.2363	0.102	3	112.2363	0.102	3	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:4:	4:3:2:4:	4:3:4:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]C)(CH3)	C[5,5](C[5,5]C[5]P[5]C)(C[5]C[5]C)(O[5]C[5])(CH3)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(CH3)	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]C)(CH3){1|H<1>,1|P<4>,3|C<4>}	C[5,5](C[5,5]C[5]P[5]C)(C[5]C[5]C)(O[5]C[5])(CH3){1|Cl<1>,1|Cr<6>,1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(CH3){1|O<2>,1|P<4>,2|C<4>}	112.5320	0.000	1	112.2363	0.102	3	112.2363	0.102	3	112.2363	0.102	3	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:4:	4:3:2:4:	4:3:4:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]C)(CH3)	C[5,5](C[5,5]C[5]P[5]C)(C[5]C[5]C)(O[5]C[5])(CH3)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(CH3)	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]C)(CH3){1|H<1>,1|P<4>,3|C<4>}	C[5,5](C[5,5]C[5]P[5]C)(C[5]C[5]C)(O[5]C[5])(CH3){1|Cl<1>,1|Mo<6>,1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(CH3){1|O<2>,1|P<4>,2|C<4>}	112.2790	0.000	1	112.2363	0.102	3	112.2363	0.102	3	112.2363	0.102	3	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:4:	4:3:3:1:	4:3:1:	C[5,5]-4:C[5]-3:C-4:	C[3x5]-4:N[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5,5]C[3x5]N[5]H)(C[5]C[5,5]H)(CH3)	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(C[5]C[5]C)(H)	C[5](C[5,5]C[3x5]O[5]C)(C[5]C[5,5]C)(H)	C[5](C[5,5]C[3x5]N[5]H)(C[5]C[5,5]H)(CH3){1|O<2>,2|C<3>,3|C<4>}	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(C[5]C[5]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,5]C[3x5]O[5]C)(C[5]C[5,5]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	110.6340	0.000	1	110.6340	0.000	1	110.6340	0.000	1	110.6340	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:4:	4:3:3:4:	3:3:4:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5,5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]2C)(C[5]C[5]C)(CH3)	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]P[5])(C[5]C[5]C)(CH3)	C[5](C[5]C[5,5]C)2(CH3)	C[5](C[5,5]C[5,5]2C)(C[5]C[5]C)(CH3){1|P<3>,2|C<3>,2|C<4>}	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]P[5])(C[5]C[5]C)(CH3){3|C<3>,3|C<4>}	C[5](C[5]C[5,5]C)2(CH3){1|P<3>,2|C<4>}	109.2115	0.104	2	109.4774	0.252	10	109.4774	0.252	10	109.8610	0.990	25	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:4:	4:3:3:4:	3:3:4:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5,5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]2C)(C[5]C[5]C)(CH3)	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]P[5])(C[5]C[5]C)(CH3)	C[5](C[5]C[5,5]C)2(CH3)	C[5](C[5,5]C[5,5]2C)(C[5]C[5]C)(CH3){1|P<4>,2|C<3>,2|C<4>}	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]P[5])(C[5]C[5]C)(CH3){1|S<1>,3|C<3>,3|C<4>}	C[5](C[5]C[5,5]C)2(CH3){1|P<4>,2|C<4>}	109.9990	0.235	2	109.4774	0.252	10	109.4774	0.252	10	109.8610	0.990	25	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:4:	4:3:3:4:	3:3:4:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5,5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]2C)(C[5]C[5]C)(CH3)	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]P[5])(C[5]C[5]C)(CH3)	C[5](C[5]C[5,5]C)2(CH3)	C[5](C[5,5]C[5,5]2C)(C[5]C[5]C)(CH3){1|P<4>,2|C<3>,2|C<4>}	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]P[5])(C[5]C[5]C)(CH3){1|Se<1>,3|C<3>,3|C<4>}	C[5](C[5]C[5,5]C)2(CH3){1|P<4>,2|C<4>}	109.6510	0.409	2	109.4774	0.252	10	109.4774	0.252	10	109.8610	0.990	25	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:4:	4:3:3:4:	3:3:4:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5,5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]2C)(C[5]C[5]C)(CH3)	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]P[5])(C[5]C[5]C)(CH3)	C[5](C[5]C[5,5]C)2(CH3)	C[5](C[5,5]C[5,5]2C)(C[5]C[5]C)(CH3){1|P<4>,2|C<3>,2|C<4>}	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]P[5])(C[5]C[5]C)(CH3){1|Ta<10>,3|C<3>,3|C<4>}	C[5](C[5]C[5,5]C)2(CH3){1|P<4>,2|C<4>}	109.2628	0.608	4	109.4774	0.252	10	109.4774	0.252	10	109.8610	0.990	25	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:4:	4:3:3:4:	3:3:4:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]C)(CCHH)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]C)2(CCHH)	C[5](C[5]C[5,5]C)2(CCHH)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]C)(CCHH){2|C<3>,3|C<4>}	C[5,5](C[5,5]C[5]2C)(C[5]C[5]C)2(CCHH){4|C<4>}	C[5](C[5]C[5,5]C)2(CCHH){2|C<3>,2|C<4>}	110.1168	1.166	15	110.1168	1.360	15	110.1168	1.360	15	109.8610	0.990	25	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:4:	4:3:3:4:	4:3:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C[5]-3:C-4:	P[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,5]C[5]C)(C[5]P[5]H)(CH3)	C[5,5](C[5,5]C[5]P[5]H)(C[5]C[6a]C[5])(C[5]C[5]C)(CH3)	C[5](P[5]C[5,5]C[6a]W)(C[5]C[5,5]C)(H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]P[5]H)(CH3){1|H<1>,1|W<6>,4|C<3>}	C[5,5](C[5,5]C[5]P[5]H)(C[5]C[6a]C[5])(C[5]C[5]C)(CH3){1|H<1>,1|O<1>,1|W<6>,4|C<3>}	C[5](P[5]C[5,5]C[6a]W)(C[5]C[5,5]C)(H){1|C<4>,1|H<1>,4|C<3>}	116.6320	0.000	1	116.6320	0.000	1	116.6320	0.000	1	116.6320	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:4:	4:3:3:4:	4:3:4:	C[5,5]-4:C[5]-3:C-4:	C[5]-4:B[5,5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5,5]B[5,5]C[5]C)(C[5]C[5]C)(CH3)	C[5,5](C[5]C[6a]2C[5])(B[5,5]C[5]O[5])(C[5]C[5]C)(CH3)	C[5](C[5]B[5,5]C[6a]C)(C[5]C[5,5]C)(CH3)	C[5](C[5,5]B[5,5]C[5]C)(C[5]C[5]C)(CH3){1|O<2>,2|C<4>,3|C<3>}	C[5,5](C[5]C[6a]2C[5])(B[5,5]C[5]O[5])(C[5]C[5]C)(CH3){2|C<4>,2|H<1>,5|C<3>}	C[5](C[5]B[5,5]C[6a]C)(C[5]C[5,5]C)(CH3){1|O<2>,2|C<3>,2|C<4>}	113.5900	0.000	1	113.5900	0.000	1	113.5900	0.000	1	113.5900	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:4:	4:4:3:1:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]H)(CCHH)	C[5,5](C[5,6]C[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]C)(H)	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,5](C[5,6]C[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]C)(H){2|O<1>,4|C<4>,5|H<1>}	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(H){2|C<4>,2|H<1>}	112.1502	0.050	4	112.1502	0.002	4	112.1502	0.002	4	112.1502	0.002	4	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:4:	4:4:3:1:	3:3:4:	C[5,5]-4:C[5]-3:C-4:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]C)(CH3)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2O)(C[5]C[5]C)(H)	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]C)(CH3){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2O)(C[5]C[5]C)(H){2|C<3>,2|C<4>,2|O<1>}	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	112.7220	0.000	1	112.7220	0.000	1	112.7220	0.000	1	112.7220	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:4:	4:4:3:1:	4:3:1:	C[5,5]-4:C[5]-3:C-4:	C[3x5]-4:C[3,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5,5]C[3,5]C[3x5]H)(C[5]C[5,5]H)(CH3)	C[5,5](C[3x5]C[5,5,6]C[5,5]H)(C[3,5]C[3,5,6]C[3]H)(C[5]C[5]C)(H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]C)(H)	C[5](C[5,5]C[3,5]C[3x5]H)(C[5]C[5,5]H)(CH3){3|H<1>,4|C<4>}	C[5,5](C[3x5]C[5,5,6]C[5,5]H)(C[3,5]C[3,5,6]C[3]H)(C[5]C[5]C)(H){1|C<3>,2|C<4>,5|H<1>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]C)(H){3|C<4>,4|H<1>}	111.0250	0.000	1	111.0250	0.000	1	111.0250	0.000	1	111.3605	0.578	4	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:4:	4:4:3:1:	4:3:1:	C[5,5]-4:C[5]-3:C-4:	C[3x5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]H)(CH3)	C[5,5](C[3x5]C[5,5]2C)(C[5]C[5]HO)(C[5]C[5]C)(H)	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5]C)(H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]H)(CH3){2|H<1>,2|O<2>,3|C<4>}	C[5,5](C[3x5]C[5,5]2C)(C[5]C[5]HO)(C[5]C[5]C)(H){1|C<4>,1|O<2>,5|H<1>}	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5]C)(H){1|H<1>,4|C<4>}	111.9845	0.097	2	111.9845	0.009	2	111.9845	0.009	2	111.3605	0.578	4	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:4:	4:4:3:1:	4:3:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]C[5]H)(CH3)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5]O[5]2)(C[5]C[5]C)(H)	C[5](C[5]C[5,5,6]HO)(C[5]C[5,5]C)(H)	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]C[5]H)(CH3){1|H<1>,3|C<4>,3|O<2>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5]O[5]2)(C[5]C[5]C)(H){1|O<2>,4|C<4>,7|H<1>}	C[5](C[5]C[5,5,6]HO)(C[5]C[5,5]C)(H){1|H<1>,3|C<4>}	110.4480	0.000	1	110.4480	0.000	1	110.4480	0.000	1	111.3605	0.578	4	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:4:	4:4:3:1:	4:3:4:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(CC[5]HH)	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5,5]HO)(C[5]C[5,5]C)(CH3)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(CC[5]HH){2|C<4>,2|H<1>,3|O<2>}	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]CH)(C[5]C[5]C)(H){1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[5,5]HO)(C[5]C[5,5]C)(CH3){1|C<4>,1|H<1>,2|O<2>}	112.2750	0.313	2	112.2750	0.098	2	112.2750	0.098	2	112.2750	0.098	2	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:4:	4:4:3:2:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5,6]-4:C[5]-3:O[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,5]C[5,6]O[5])(C[5]C[5]H)(CH3)	C[5,5](C[5,5]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[6]C)(C[5]C[5]C)(O[5]C[5])	C[5](C[5]C[5,5]C)(C[5]O[5]O)(H)	C[5](C[5,5]C[5,5]C[5,6]O[5])(C[5]C[5]H)(CH3){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,5](C[5,5]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[6]C)(C[5]C[5]C)(O[5]C[5]){1|O<2>,2|O<1>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5]C)(C[5]O[5]O)(H){2|C<4>}	108.2850	0.000	1	108.2850	0.000	1	108.2850	0.000	1	108.2850	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:4:	4:4:3:2:	4:3:4:	C[5,5]-4:C[5]-3:C-4:	C[5,6,6]-4:C[5,5]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:C-4:	C[5](C[5,5]C[5,6,6]C[5,5]O)(C[5]C[5]C)(CH3)	C[5,5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5,5]C[5,6]C[5]O)(C[5]C[5]C)(OH)	C[5](C[5]C[5,5]HO)(C[5]C[5,5]C)(CCCH)	C[5](C[5,5]C[5,6,6]C[5,5]O)(C[5]C[5]C)(CH3){1|H<1>,3|C<4>,3|O<2>}	C[5,5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5,5]C[5,6]C[5]O)(C[5]C[5]C)(OH){1|C<3>,2|H<1>,3|O<2>,5|C<4>}	C[5](C[5]C[5,5]HO)(C[5]C[5,5]C)(CCCH){2|C<4>,2|O<2>}	111.6190	0.000	1	111.6190	0.000	1	111.6190	0.000	1	111.6190	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:4:	4:4:3:3:	3:3:4:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]C)(CCHH)	C[5,5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(C[5]C[5]C)(N[5]C[5]C)	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]C)(CCHH){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(C[5]C[5]C)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	113.2710	0.329	3	113.4630	0.107	7	113.4630	0.107	7	113.2531	0.444	8	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:4:	4:4:3:3:	3:3:4:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]C)(CCHH)	C[5,5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(C[5]C[5]C)(N[5]C[5]C)	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]C)(CCHH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(C[5]C[5]C)(N[5]C[5]C){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	113.6070	0.279	4	113.4630	0.107	7	113.4630	0.107	7	113.2531	0.444	8	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:4:	4:4:3:3:	3:3:4:	C[5,5]-4:C[5]-3:C-4:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]C)(CCHH)	C[5,5](C[5]C[5]HH)2(C[5]C[5]C)(N[5]C[5]C)	C[5](C[5]C[5,5]C)(C[5]C[5]O)(CH3)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]C)(CCHH){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]C[5]C)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5]C[5,5]C)(C[5]C[5]O)(CH3){1|C<4>,1|N<3>,2|H<1>}	111.7840	0.000	1	111.7840	0.000	1	111.7840	0.000	1	113.2531	0.444	8	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:4:	4:4:3:4:	4:3:4:	C[5,5]-4:C[5]-3:C-4:	C[3,5,5]-4:C[5]-4:C[5]-3:C-4:	C[3,5]-4:C[5]-3:C-4:	C[5](C[5,5]C[3,5,5]C[5]C)(C[5]C[3,5]C)(CH3)	C[5,5](C[3,5,5]C[3,5]P[3,5]C)(C[5]C[5a]N[5]H)(C[5]C[5]C)(CH3)	C[5](C[3,5]C[3,5,5]P[3,5]C)(C[5]C[5,5]C)(CH3)	C[5](C[5,5]C[3,5,5]C[5]C)(C[5]C[3,5]C)(CH3){1|C<3>,1|H<1>,1|N<3>,1|P<4>,2|C<4>}	C[5,5](C[3,5,5]C[3,5]P[3,5]C)(C[5]C[5a]N[5]H)(C[5]C[5]C)(CH3){1|C<3>,1|O<2>,1|W<6>,3|C<4>}	C[5](C[3,5]C[3,5,5]P[3,5]C)(C[5]C[5,5]C)(CH3){1|N<3>,1|W<6>,3|C<4>}	112.0280	0.000	1	112.0280	0.000	1	112.0280	0.000	1	111.5420	0.458	4	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:4:	4:4:3:4:	4:3:4:	C[5,5]-4:C[5]-3:C-4:	C[3,5,5]-4:P[5]-4:C[5]-3:C-4:	C[3,5]-4:C[5]-3:C-4:	C[5](C[5,5]C[3,5,5]P[5]C)(C[5]C[3,5]C)(CH3)	C[5,5](C[3,5,5]C[3,5]2C)(P[5]C[5]OW)(C[5]C[5]C)(CH3)	C[5](C[3,5]C[3,5,5]C[3,5]C)(C[5]C[5,5]C)(CH3)	C[5](C[5,5]C[3,5,5]P[5]C)(C[5]C[3,5]C)(CH3){1|O<2>,1|W<6>,4|C<4>}	C[5,5](C[3,5,5]C[3,5]2C)(P[5]C[5]OW)(C[5]C[5]C)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5](C[3,5]C[3,5,5]C[3,5]C)(C[5]C[5,5]C)(CH3){1|C<3>,1|P<4>,3|C<4>}	111.7435	0.517	2	111.7435	0.267	2	111.7435	0.267	2	111.5420	0.458	4	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:3:4:	4:4:3:4:	4:3:4:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:P[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5,5]C[5,5]P[5]C)(C[5]C[5]C)(CH3)	C[5,5](C[5,5]C[5]2C)(P[5]C[5]WW)(C[5]C[5]C)(CH3)	C[5](C[5]C[5,5]CW)(C[5]C[5,5]C)(CH3)	C[5](C[5,5]C[5,5]P[5]C)(C[5]C[5]C)(CH3){1|W<6>,1|W<8>,4|C<4>}	C[5,5](C[5,5]C[5]2C)(P[5]C[5]WW)(C[5]C[5]C)(CH3){1|H<1>,4|C<4>}	C[5](C[5]C[5,5]CW)(C[5]C[5,5]C)(CH3){1|P<4>,3|C<4>}	110.6530	0.000	1	110.6530	0.000	1	110.6530	0.000	1	111.5420	0.458	4	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:4:3:	3:4:3:1:	3:4:1:	C[5,5]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-4:H-1:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[3]C[3]2H)(C[5]C[5]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[3]C[5])(H)	C[5](C[5]C[5,5]C[3])(C[5]C[5,5]CC)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[3]C[3]2H)(C[5]C[5]H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[3]C[5])(H){2|C<3>,3|H<1>,5|C<4>}	C[5](C[5]C[5,5]C[3])(C[5]C[5,5]CC)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	111.1685	0.538	2	111.1685	0.290	2	111.1685	0.290	2	111.1685	0.290	2	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,5]	C[5]	4:4:3:	4:3:2:4:	3:4:1:	C[5,5]-4:C[6]-4:C[5]-3:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	C[5]-3:C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]C)(C[6]C[6]2O)(C[5]C[5]H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]C[6])(O[5]C[5])(CCHH)	C[5](C[5]C[5,5]C[6])(C[5]C[5,5]CH)(H)	C[5](C[5,5]C[5,5]O[5]C)(C[6]C[6]2O)(C[5]C[5]H){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]C[6])(O[5]C[5])(CCHH){1|O<2>,2|H<1>,5|C<4>}	C[5](C[5]C[5,5]C[6])(C[5]C[5,5]CH)(H){1|H<1>,3|C<4>,3|O<2>}	109.7240	0.000	1	109.7240	0.000	1	109.7240	0.000	1	109.7240	0.000	1	110.5493	4.896	653	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6,6]	C[5,6,6]	4:3:3:	3:3:4:1:	3:3:4:	C[5,6,6]-4:C[5,6,6]-3:C[6a]-3:	C[5,6,6]-3:C[5]-3:C[3x6]-4:H-1:	C[5,6,6]-3:C[5]-3:C[3x6]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6,6]C[5,6,6]C[3x6])(C[6a]C[6a]2)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5]C[5,6,6]C[6a])(C[3x6]C[6,6]2H)(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5]C[5,6,6]C[6a])(C[3x6]C[6,6]2H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6,6]C[5,6,6]C[3x6])(C[6a]C[6a]2){2|C<3>,4|H<1>,6|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5]C[5,6,6]C[6a])(C[3x6]C[6,6]2H)(H){2|C<3>,4|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5]C[5,6,6]C[6a])(C[3x6]C[6,6]2H){2|C<3>,4|C<4>,6|H<1>}	107.0550	0.000	1	107.0550	0.000	1	107.0550	0.000	1	107.0550	0.000	1	107.0550	0.000	1	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6,6]	C[5]	4:3:1:	3:4:3:3:	3:4:1:	C[5,6,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:N[5,6,6]-3:C[5]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[5,6,6]N[5,6,6]C[6,6a]C[5,6])(C[5]C[5]H)(H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6,6]C[5,6]2)(C[5]C[5]H)	C[5](C[5]C[5,6,6]H)(C[5]C[5,6]HH)(H)	C[5](C[5,6,6]N[5,6,6]C[6,6a]C[5,6])(C[5]C[5]H)(H){2|C<4>,3|C<3>,3|H<1>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6,6]C[5,6]2)(C[5]C[5]H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[5](C[5]C[5,6,6]H)(C[5]C[5,6]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	112.2510	0.000	1	112.2510	0.000	1	112.2510	0.000	1	112.2510	0.000	1	108.8994	6.538	79	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6,6]	C[5]	4:3:1:	3:4:3:4:	3:3:1:	C[5,6,6]-4:C[5]-3:O-1:	N[5,6,6]-3:C[3x6]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6,6]N[5,6,6]C[3x6]C)(C[5]C[5]H)(O)	C[5,6,6](N[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)(C[5]C[5]O)(CCHH)	C[5](C[5]C[5,6,6]O)(C[5]N[5,6,6]H)(H)	C[5](C[5,6,6]N[5,6,6]C[3x6]C)(C[5]C[5]H)(O){1|C<3>,2|C<4>,2|H<1>}	C[5,6,6](N[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)(C[5]C[5]O)(CCHH){1|C<3>,1|C<4>,6|H<1>}	C[5](C[5]C[5,6,6]O)(C[5]N[5,6,6]H)(H){3|C<4>}	106.2800	0.000	1	106.2800	0.000	1	106.2800	0.000	1	106.2800	0.000	1	108.8994	6.538	79	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6,6]	C[5]	4:3:1:	3:4:4:3:	4:3:4:	C[5,6,6]-4:C[5]-3:H-1:	C[6,6]-3:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[5]-3:C-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]H)(CH3)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H){2|C<3>,2|C<4>,5|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]H){2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]H)(CH3){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	110.5015	0.043	2	110.5015	0.002	2	110.5015	0.002	2	110.5015	0.002	2	108.8994	6.538	79	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6,6]	C[5]	4:3:1:	4:2:4:3:	4:3:1:	C[5,6,6]-4:C[5]-3:H-1:	C[6,6]-4:O[5,6]-2:C[6]-4:C[5]-3:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]H)(H)	C[5,6,6](C[6,6]C[6]2H)(O[5,6]C[5,6])(C[6]C[6]CH)(C[5]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6,6]H)(H)	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]H)(H){1|C<3>,3|H<1>,4|C<4>}	C[5,6,6](C[6,6]C[6]2H)(O[5,6]C[5,6])(C[6]C[6]CH)(C[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,6|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6,6]H)(H){1|C<3>,2|C<4>,2|H<1>}	108.4165	0.298	2	108.4165	0.089	2	108.4165	0.089	2	108.4165	0.089	2	108.8994	6.538	79	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6,6]	C[5]	4:3:1:	4:3:3:3:	3:3:1:	C[5,6,6]-4:C[5]-3:H-1:	C[6,6]-4:N[5,6]-3:C[5]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]H)(H)	C[5,6,6](C[6,6]C[5a,6]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]H)(C[6]C[6]O)	C[5](C[5]C[5,6,6]H)(C[5]N[5,6]O)(H)	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]H)(H){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	C[5,6,6](C[6,6]C[5a,6]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]H)(C[6]C[6]O){1|O<1>,4|C<3>,5|H<1>}	C[5](C[5]C[5,6,6]H)(C[5]N[5,6]O)(H){1|C<3>,2|C<4>}	110.4830	0.000	1	110.4830	0.000	1	110.4830	0.000	1	108.5807	2.748	3	108.8994	6.538	79	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6,6]	C[5]	4:3:1:	4:3:3:3:	3:3:1:	C[5,6,6]-4:C[5]-3:O-1:	C[3x6]-4:C[6,6]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6,6]C[3x6]C[6,6]C[5])(C[5]C[5]H)(O)	C[5,6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]O)(C[5]C[5]O)2	C[5](C[5]C[5,6,6]O)(C[5]C[5]H)(H)	C[5](C[5,6,6]C[3x6]C[6,6]C[5])(C[5]C[5]H)(O){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[5,6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]O)(C[5]C[5]O)2{3|H<1>,4|C<3>}	C[5](C[5]C[5,6,6]O)(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|O<1>}	107.6295	0.260	2	107.6295	0.067	2	107.6295	0.067	2	108.5807	2.748	3	108.8994	6.538	79	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6,6]	C[5]	4:3:1:	4:3:3:4:	3:3:1:	C[5,6,6]-4:C[5]-3:O-1:	C[3x6]-4:N[5,6,6]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6,6]N[5,6,6]C[3x6]C)(C[5]C[5]H)(O)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(N[5,6,6]C[3x6]C[5])(C[5]C[5]O)(CCHH)	C[5](C[5]C[5,6,6]O)(C[5]N[5,6,6]H)(H)	C[5](C[5,6,6]N[5,6,6]C[3x6]C)(C[5]C[5]H)(O){1|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(N[5,6,6]C[3x6]C[5])(C[5]C[5]O)(CCHH){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[5,6,6]O)(C[5]N[5,6,6]H)(H){3|C<4>}	106.9880	0.000	1	106.9880	0.000	1	106.9880	0.000	1	106.9880	0.000	1	108.8994	6.538	79	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6,6]	C[5]	4:3:1:	4:3:4:3:	3:3:1:	C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:C[5]-3:	N[5,6]-3:C[5]-3:H-1:	C[5](C[5,6,6]C[5,6,6]C[6,6a]C[6])(C[5]N[5,6]H)(H)	C[5,6,6](C[5,6,6]N[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]H)	C[5](N[5,6]C[5,6,6]S[6])(C[5]C[5,6,6]H)(H)	C[5](C[5,6,6]C[5,6,6]C[6,6a]C[6])(C[5]N[5,6]H)(H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]N[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]H){1|C<4>,1|S<4>,2|C<3>,6|H<1>}	C[5](N[5,6]C[5,6,6]S[6])(C[5]C[5,6,6]H)(H){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	109.2260	0.000	1	109.2260	0.000	1	109.2260	0.000	1	109.2260	0.000	1	108.8994	6.538	79	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6,6]	C[5]	4:3:1:	4:3:4:3:	4:3:4:	C[5,6,6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5]-3:C-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]H)(CH3)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]H){2|C<3>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]H)(CH3){2|O<1>,3|C<4>}	112.6240	0.000	1	112.6240	0.000	1	112.6240	0.000	1	112.6240	0.000	1	108.8994	6.538	79	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6,6]	C[5]	4:3:1:	4:4:3:1:	3:3:1:	C[5,6,6]-4:C[5]-3:O-1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]H)(O)	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]O)(H)	C[5](C[5]C[5,3x6]C)(C[5]C[5,6,6]O)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]H)(O){1|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]O)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[5](C[5]C[5,3x6]C)(C[5]C[5,6,6]O)(H){1|C<3>,1|H<1>,2|C<4>}	105.7720	0.820	2	105.7720	0.673	2	105.7720	0.673	2	105.7720	0.673	2	108.8994	6.538	79	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6,6]	C[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6,6]-4:C[5]-3:O-1:	C[5,3x6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]C)(O)	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]O)(H)	C[5](C[5,6]C[5,3x6]C[6])(C[5]C[5,6,6]O)(CCCH)	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]C)(O){1|O<2>,2|H<1>,3|C<4>}	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]O)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5](C[5,6]C[5,3x6]C[6])(C[5]C[5,6,6]O)(CCCH){3|H<1>,4|C<4>}	108.7713	0.128	3	108.8727	0.052	4	108.8727	0.052	4	108.8727	0.052	4	108.8994	6.538	79	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6,6]	C[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6,6]-4:C[5]-3:O-1:	C[5,3x6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]C)(O)	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]O)(H)	C[5](C[5,6]C[5,3x6]C[6])(C[5]C[5,6,6]O)(CCCH)	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]C)(O){1|O<2>,2|H<1>,3|C<4>}	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]O)(H){1|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,3x6]C[6])(C[5]C[5,6,6]O)(CCCH){3|H<1>,4|C<4>}	109.1770	0.000	1	108.8727	0.052	4	108.8727	0.052	4	108.8727	0.052	4	108.8994	6.538	79	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6,6]	C[5]	4:3:1:	4:4:3:1:	4:3:1:	C[5,6,6]-4:C[5]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	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)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[5,6,6]HH)(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)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,5|H<1>}	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6,6]H)(H){2|C<4>,2|H<1>}	112.5900	0.000	1	112.5900	0.000	1	112.5900	0.000	1	111.5120	3.098	7	108.8994	6.538	79	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6,6]	C[5]	4:3:1:	4:4:3:1:	4:3:1:	C[5,6,6]-4:C[5]-3:H-1:	C[5,5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5,6,6]C[5,5,6,6]C[3x6]H)(C[5]C[5,5]H)(H)	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[3x6]C[6,6]2H)(C[5]C[5]H)(H)	C[5](C[5,5]C[5,5,6,6]O[5]H)(C[5]C[5,6,6]H)(H)	C[5](C[5,6,6]C[5,5,6,6]C[3x6]H)(C[5]C[5,5]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[3x6]C[6,6]2H)(C[5]C[5]H)(H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[5](C[5,5]C[5,5,6,6]O[5]H)(C[5]C[5,6,6]H)(H){2|H<1>,3|C<4>}	112.1730	0.000	1	112.1730	0.000	1	112.1730	0.000	1	111.5120	3.098	7	108.8994	6.538	79	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6,6]	C[5]	4:3:1:	4:4:3:1:	4:3:1:	C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	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)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2Br)(C[5]C[5]H)(H)	C[5](C[5]C[5,6,6]HH)(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)(H){1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2Br)(C[5]C[5]H)(H){1|Br<1>,1|C<3>,1|C<4>,6|H<1>}	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6,6]H)(H){2|C<4>,2|H<1>}	112.8260	0.000	1	112.8260	0.000	1	111.1642	4.096	5	111.5120	3.098	7	108.8994	6.538	79	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6,6]	C[5]	4:3:1:	4:4:3:1:	4:3:1:	C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	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)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]H)(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)(H){1|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]H)(H){1|Cl<1>,1|C<3>,2|C<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6,6]ClH)(C[5]C[5,6,6]H)(H){2|C<4>,2|H<1>}	112.5240	0.365	2	112.5240	0.133	2	111.1642	4.096	5	111.5120	3.098	7	108.8994	6.538	79	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6,6]	C[5]	4:3:1:	4:4:3:1:	4:3:1:	C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	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)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]C[5]H)(H)	C[5](C[5]C[5,6,6]HH)(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)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]C[5]H)(H){1|Br<1>,1|C<3>,1|C<4>,6|H<1>}	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6,6]H)(H){2|C<4>,2|H<1>}	108.9735	0.438	2	108.9735	0.192	2	111.1642	4.096	5	111.5120	3.098	7	108.8994	6.538	79	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6,6]	C[5]	4:3:1:	4:4:3:1:	4:3:4:	C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	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)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]H)(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)(H){1|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]H)(H){1|Cl<1>,1|C<3>,1|H<1>,2|C<2>,4|C<4>}	C[5](C[5]C[5,6,6]ClH)(C[5]C[5,6,6]H)(CH3){2|C<4>,2|H<1>}	113.9110	0.000	1	113.9110	0.000	1	113.9110	0.000	1	113.9110	0.000	1	108.8994	6.538	79	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6,6]	C[5]	4:3:1:	4:4:3:2:	3:2:3:	C[5,6,6]-4:C[5]-3:O-1:	C[5,6,6]-4:C[6]-4:C[5]-3:N[6]-2:	C[5]-3:N[5]-2:C[6a]-3:	C[5](C[5,6,6]C[5,6,6]C[6]N[6])(C[5]C[6a]N[5])(O)	C[5,6,6](C[5,6,6]C[6]2N[5])(C[6]C[6]HH)(C[5]C[5]O)(N[6]C[6])	C[5](C[5]C[5,6,6]O)(N[5]C[5,6,6])(C[6a]C[6a]2)	C[5](C[5,6,6]C[5,6,6]C[6]N[6])(C[5]C[6a]N[5])(O){2|H<1>,3|C<3>,3|C<4>}	C[5,6,6](C[5,6,6]C[6]2N[5])(C[6]C[6]HH)(C[5]C[5]O)(N[6]C[6]){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[5](C[5]C[5,6,6]O)(N[5]C[5,6,6])(C[6a]C[6a]2){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	103.6160	0.000	1	103.6160	0.000	1	103.6160	0.000	1	103.6160	0.000	1	108.8994	6.538	79	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6,6]	C[5]	4:3:1:	4:4:3:2:	3:3:1:	C[5,6,6]-4:C[5]-3:O-1:	C[4,6,6]-4:C[6,6]-4:C[5]-3:O[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6,6]C[4,6,6]C[6,6]O[5])(C[5]C[5]H)(O)	C[5,6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HO)(C[5]C[5]O)(O[5]C[5])	C[5](C[5]C[5,6,6]O)(C[5]C[4]O[5])(H)	C[5](C[5,6,6]C[4,6,6]C[6,6]O[5])(C[5]C[5]H)(O){1|O<2>,2|H<1>,4|C<4>}	C[5,6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HO)(C[5]C[5]O)(O[5]C[5]){4|C<4>,5|H<1>}	C[5](C[5]C[5,6,6]O)(C[5]C[4]O[5])(H){1|H<1>,4|C<4>}	106.2485	0.425	2	106.2485	0.181	2	106.2485	0.181	2	106.2485	0.181	2	108.8994	6.538	79	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6,6]	C[5]	4:3:1:	4:4:3:2:	3:3:3:	C[5,6,6]-4:C[5]-3:H-1:	C[5,3x6]-4:C[3x6]-4:C[5]-3:O-2:	C[5,6]-3:C[5]-3:C-3:	C[5](C[5,6,6]C[5,3x6]C[3x6]O)(C[5]C[5,6]C)(H)	C[5,6,6](C[5,3x6]C[4x6]C[5,6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]H)(OH)	C[5](C[5,6]C[5,3x6]C[6])(C[5]C[5,6,6]H)(CCC)	C[5](C[5,6,6]C[5,3x6]C[3x6]O)(C[5]C[5,6]C)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6,6](C[5,3x6]C[4x6]C[5,6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]H)(OH){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,3x6]C[6])(C[5]C[5,6,6]H)(CCC){1|C<3>,2|O<2>,3|C<4>}	106.1860	0.000	1	106.1860	0.000	1	106.1860	0.000	1	106.1860	0.000	1	108.8994	6.538	79	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6,6]	C[5]	4:3:1:	4:4:3:3:	4:3:3:	C[5,6,6]-4:C[5]-3:O-1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[5]-3:C-3:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O)	C[5,6,6](C[6,6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHH)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5,6,6](C[6,6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)(C[6]C[6]O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	107.4240	0.000	1	107.4240	0.000	1	106.1980	0.425	13	106.2261	0.404	14	108.8994	6.538	79	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6,6]	C[5]	4:3:1:	4:4:3:3:	4:3:3:	C[5,6,6]-4:C[5]-3:O-1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[5]-3:C-3:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O)	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHH)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHH){1|C<3>,2|C<4>,4|H<1>}	105.6690	0.000	1	105.5435	0.032	2	106.1980	0.425	13	106.2261	0.404	14	108.8994	6.538	79	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6,6]	C[5]	4:3:1:	4:4:3:3:	4:3:3:	C[5,6,6]-4:C[5]-3:O-1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[5]-3:C-3:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O)	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHH)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O){1|C<3>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHH){1|C<3>,2|C<4>,4|H<1>}	105.4180	0.000	1	105.5435	0.032	2	106.1980	0.425	13	106.2261	0.404	14	108.8994	6.538	79	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6,6]	C[5]	4:3:1:	4:4:3:3:	4:3:3:	C[5,6,6]-4:C[5]-3:O-1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[5]-3:C-3:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O)	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)(C[6]O[6]O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHH)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)(C[6]O[6]O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	105.9492	0.509	5	105.9492	0.259	5	106.1980	0.425	13	106.2261	0.404	14	108.8994	6.538	79	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6,6]	C[5]	4:3:1:	4:4:3:3:	4:3:3:	C[5,6,6]-4:C[5]-3:O-1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[5]-3:C-3:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHH)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHH){1|C<3>,2|C<4>,4|H<1>}	106.4635	0.445	2	106.4634	0.254	5	106.1980	0.425	13	106.2261	0.404	14	108.8994	6.538	79	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6,6]	C[5]	4:3:1:	4:4:3:3:	4:3:3:	C[5,6,6]-4:C[5]-3:O-1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[5]-3:C-3:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHH)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O){1|C<3>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHH){1|C<3>,2|C<4>,4|H<1>}	106.5945	0.845	2	106.4634	0.254	5	106.1980	0.425	13	106.2261	0.404	14	108.8994	6.538	79	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6,6]	C[5]	4:3:1:	4:4:3:3:	4:3:3:	C[5,6,6]-4:C[5]-3:O-1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[5]-3:C-3:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHH)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O){2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHH){1|C<3>,2|C<4>,4|H<1>}	106.2010	0.000	1	106.4634	0.254	5	106.1980	0.425	13	106.2261	0.404	14	108.8994	6.538	79	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6,6]	C[5]	4:3:1:	4:4:3:3:	4:3:3:	C[5,6,6]-4:C[5]-3:O-1:	C[6,6]-4:C[5,6]-4:C[6]-3:C[5]-3:	C[5,6]-4:C[5]-3:C-3:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O)	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[5,6]O)(C[5]C[5]O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHH)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[5,6]O)(C[5]C[5]O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	106.5910	0.000	1	106.5910	0.000	1	106.5910	0.000	1	106.2261	0.404	14	108.8994	6.538	79	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6,6]	C[5]	4:3:1:	4:4:3:4:	4:3:1:	C[5,6,6]-4:C[5]-3:H-1:	C[5,3x6]-4:C[3x6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6,6]C[5,3x6]C[3x6]C)(C[5]C[5]H)(H)	C[5,6,6](C[5,3x6]C[4x6]C[5]C[6])(C[3x6]C[6,6]2H)(C[5]C[5]H)(CCHH)	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]H)(H)	C[5](C[5,6,6]C[5,3x6]C[3x6]C)(C[5]C[5]H)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,3x6]C[4x6]C[5]C[6])(C[3x6]C[6,6]2H)(C[5]C[5]H)(CCHH){1|C<3>,2|C<2>,3|C<4>,6|H<1>}	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]H)(H){4|C<4>}	113.9430	0.000	1	113.9430	0.000	1	113.9430	0.000	1	114.0475	0.022	2	108.8994	6.538	79	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6,6]	C[5]	4:3:1:	4:4:3:4:	4:3:1:	C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6,6]C[5,6,6]C[3x6]C)(C[5]C[5]H)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]C)(C[3x6]C[6,6]2H)(C[5]C[5]H)(CCHH)	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6,6]H)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]C)(C[5]C[5]H)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]C)(C[3x6]C[6,6]2H)(C[5]C[5]H)(CCHH){1|C<3>,2|C<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6,6]H)(H){4|C<4>}	114.1520	0.000	1	114.1520	0.000	1	114.1520	0.000	1	114.0475	0.022	2	108.8994	6.538	79	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6,6]	C[5]	4:3:1:	4:4:3:4:	4:3:3:	C[5,6,6]-4:C[5]-3:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:C-4:	C[5,6,6]-4:C[5]-3:C[6]-3:	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]C[6])(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]Cl)(C[6,6]C[3x6]HH)(C[5]C[5]H)(CH3)	C[5](C[5,6,6]C[5,3x6]C[3x6]O)(C[5]C[5,6,6]H)(C[6]C[6]2)	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]C[6])(H){1|Cl<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]Cl)(C[6,6]C[3x6]HH)(C[5]C[5]H)(CH3){1|C<4>,2|O<2>,3|C<3>}	C[5](C[5,6,6]C[5,3x6]C[3x6]O)(C[5]C[5,6,6]H)(C[6]C[6]2){1|Cl<1>,1|C<3>,2|H<1>,3|O<2>,5|C<4>}	112.6550	0.049	2	112.6550	0.002	2	112.6550	0.002	2	112.6550	0.002	2	108.8994	6.538	79	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6,6]	C[5]	4:3:1:	4:4:3:4:	4:3:4:	C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]C)(C[5]C[5]C)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]H)(CCHH)	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6,6]H)(CH3)	C[5](C[5,6,6]C[5,6,6]C[3x6]C)(C[5]C[5]C)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]H)(CCHH){1|C<3>,2|C<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6,6]H)(CH3){1|H<1>,3|C<4>}	114.8430	0.250	2	114.8430	0.063	2	114.8430	0.063	2	114.8430	0.063	2	108.8994	6.538	79	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6,6]	C[5]	4:3:1:	4:4:4:3:	4:3:3:	C[5,6,6]-4:C[5]-3:O-1:	C[6,6]-4:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[5]-3:C-3:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHH)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O){4|C<4>,6|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHH){3|C<4>,4|H<1>}	108.1765	0.056	2	108.1765	0.003	2	108.0672	0.086	5	108.0672	0.086	5	108.8994	6.538	79	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6,6]	C[5]	4:3:1:	4:4:4:3:	4:3:3:	C[5,6,6]-4:C[5]-3:O-1:	C[6,6]-4:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[5]-3:C-3:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[6]HO)(C[5]C[5]O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHH)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O){2|O<2>,4|C<4>,4|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[6]HO)(C[5]C[5]O){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHH){1|O<2>,3|C<4>,3|H<1>}	107.5870	0.000	1	107.9943	0.151	3	108.0672	0.086	5	108.0672	0.086	5	108.8994	6.538	79	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6,6]	C[5]	4:3:1:	4:4:4:3:	4:3:3:	C[5,6,6]-4:C[5]-3:O-1:	C[6,6]-4:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[5]-3:C-3:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[6]HO)(C[5]C[5]O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHH)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O){2|O<2>,4|C<4>,4|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[6]HO)(C[5]C[5]O){1|C<3>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHH){1|O<2>,3|C<4>,3|H<1>}	108.1980	0.231	2	107.9943	0.151	3	108.0672	0.086	5	108.0672	0.086	5	108.8994	6.538	79	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6,6]	C[5]	4:3:1:	4:4:4:3:	4:3:4:	C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[5]-3:C-4:	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]C)(H)	C[5,6,6](C[5,6,6]O[5,6]C[5]C[6])(C[5,6]C[5,6]HO)(C[6]C[6]HH)(C[5]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]H)(CH3)	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]C)(H){2|O<2>,4|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]O[5,6]C[5]C[6])(C[5,6]C[5,6]HO)(C[6]C[6]HH)(C[5]C[5]H){1|O<2>,5|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]H)(CH3){1|O<2>,3|C<4>,3|H<1>}	110.6795	0.179	2	110.6795	0.032	2	110.6795	0.032	2	110.6795	0.032	2	108.8994	6.538	79	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6,6]	C[5]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6,6]-4:C[6a]-3:C[5]-3:	C[6,6]-3:N[5,6]-3:C[5]-3:C[6]-3:	C[5]-3:C[5]-3:Br-1:	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]Br)	C[5,6,6](C[6,6]C[6,6a]C[6])(N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H)	C[5](C[5]C[5,6,6]C[6a])(C[5]N[5,6]O)(Br)	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]Br){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[5,6,6](C[6,6]C[6,6a]C[6])(N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H){1|Br<1>,1|O<1>,4|H<1>,5|C<3>}	C[5](C[5]C[5,6,6]C[6a])(C[5]N[5,6]O)(Br){1|C<4>,4|C<3>}	107.5310	0.000	1	107.5310	0.000	1	107.5310	0.000	1	107.5310	0.000	1	108.8994	6.538	79	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6,6]	C[5]	4:3:3:	3:3:3:4:	4:3:3:	C[5,6,6]-4:C[5]-3:C[6a]-3:	N[5,6,6]-3:C[5]-3:C[6]-3:C[6]-4:	C[5,6]-4:C[5]-3:C-3:	C[5](C[5,6,6]N[5,6,6]C[6]2)(C[5]C[5,6]C)(C[6a]C[6a]2)	C[5,6,6](N[5,6,6]C[5,6]C[6])(C[5]C[6a]C[5])(C[6]C[6,6a]O)(C[6]C[6]HH)	C[5](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,6,6]C[6a])(COO)	C[5](C[5,6,6]N[5,6,6]C[6]2)(C[5]C[5,6]C)(C[6a]C[6a]2){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[5,6,6](N[5,6,6]C[5,6]C[6])(C[5]C[6a]C[5])(C[6]C[6,6a]O)(C[6]C[6]HH){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,6,6]C[6a])(COO){2|C<4>,2|H<1>,4|C<3>}	106.9400	0.000	1	106.9400	0.000	1	106.9400	0.000	1	106.9400	0.000	1	108.8994	6.538	79	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6,6]	C[5]	4:3:3:	3:3:4:2:	3:3:1:	C[5,6,6]-4:C[6a]-3:C[5]-3:	N[5,6]-3:C[5]-3:C[6,6]-4:O[6]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6,6]C[6,6]N[5,6]O[6])(C[6a]C[6a]2)(C[5]C[5]H)	C[5,6,6](N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6,6]C[6]2C)(O[6]C[6])	C[5](C[5]C[5,6,6]C[6a])(C[5]N[5,6]O)(H)	C[5](C[5,6,6]C[6,6]N[5,6]O[6])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>,4|C<4>}	C[5,6,6](N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6,6]C[6]2C)(O[6]C[6]){2|C<3>,2|C<4>,2|O<1>,7|H<1>}	C[5](C[5]C[5,6,6]C[6a])(C[5]N[5,6]O)(H){1|O<2>,2|C<3>,2|C<4>}	108.7310	0.255	2	108.7310	0.065	2	108.7310	0.065	2	108.7310	0.065	2	108.8994	6.538	79	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6,6]	C[5]	4:3:3:	3:3:4:3:	3:3:1:	C[5,6,6]-4:C[6a]-3:C[5]-3:	N[5,6]-3:C[5]-3:C[6,6]-4:C[6]-3:	C[5]-3:C[5]-3:I-1:	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]I)	C[5,6,6](N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6,6]C[6]2H)(C[6]C[6]H)	C[5](C[5]C[5,6,6]C[6a])(C[5]N[5,6]O)(I)	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]I){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	C[5,6,6](N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6,6]C[6]2H)(C[6]C[6]H){1|C<4>,1|I<1>,1|O<1>,4|C<3>,6|H<1>}	C[5](C[5]C[5,6,6]C[6a])(C[5]N[5,6]O)(I){2|C<4>,3|C<3>}	108.3890	0.000	1	108.3890	0.000	1	108.3890	0.000	1	108.3890	0.000	1	108.8994	6.538	79	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6,6]	C[5]	4:3:3:	3:4:3:3:	3:3:1:	C[5,6,6]-4:C[6a]-3:C[5]-3:	C[6,6a]-3:C[6,6]-4:N[5,6]-3:C[5]-3:	C[5]-3:C[5]-3:I-1:	C[5](C[5,6,6]C[6,6a]C[6,6]N[5,6])(C[6a]C[6a]2)(C[5]C[5]I)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[6a]C[5])	C[5](C[5]C[5,6,6]C[6a])(C[5]N[5,6]O)(I)	C[5](C[5,6,6]C[6,6a]C[6,6]N[5,6])(C[6a]C[6a]2)(C[5]C[5]I){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[6a]C[5]){1|I<1>,1|O<1>,4|H<1>,7|C<3>}	C[5](C[5]C[5,6,6]C[6a])(C[5]N[5,6]O)(I){2|C<4>,3|C<3>}	108.6795	0.460	2	108.6795	0.212	2	108.6795	0.212	2	108.6795	0.212	2	108.8994	6.538	79	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6,6]	C[5]	4:3:3:	4:3:2:3:	4:3:3:	C[5,6,6]-4:C[5]-3:C[6a]-3:	C[5,3x6]-4:C[5]-3:O[6,6]-2:C[6a]-3:	C[5,6,6]-4:C[5]-3:C[6a]-3:	C[5](C[5,6,6]C[5,3x6]O[6,6]C[6a])(C[5]C[5,6,6]C[6a])(C[6a]C[6a]2)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5]C[6a]C[5])(O[6,6]C[3x6])(C[6a]C[6a]2)	C[5](C[5,6,6]C[5,3x6]C[6,6]C[6a])(C[5]C[5,6,6]C[6a])(C[6a]C[6a]2)	C[5](C[5,6,6]C[5,3x6]O[6,6]C[6a])(C[5]C[5,6,6]C[6a])(C[6a]C[6a]2){2|C<4>,3|H<1>,8|C<3>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5]C[6a]C[5])(O[6,6]C[3x6])(C[6a]C[6a]2){1|C<4>,2|H<1>,9|C<3>}	C[5](C[5,6,6]C[5,3x6]C[6,6]C[6a])(C[5]C[5,6,6]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<2>,4|H<1>,9|C<3>}	109.7510	0.000	1	109.7510	0.000	1	109.7510	0.000	1	109.7510	0.000	1	108.8994	6.538	79	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6,6]	C[5]	4:3:3:	4:3:3:3:	3:3:1:	C[5,6,6]-4:C[6a]-3:C[5]-3:	C[6,6]-4:N[5,6]-3:C[5]-3:C[6]-3:	C[5]-3:C[5]-3:Br-1:	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]Br)	C[5,6,6](C[6,6]C[6]O[6]H)(N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H)	C[5](C[5]C[5,6,6]C[6a])(C[5]N[5,6]O)(Br)	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]Br){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[5,6,6](C[6,6]C[6]O[6]H)(N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H){1|Br<1>,1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5]C[5,6,6]C[6a])(C[5]N[5,6]O)(Br){2|C<4>,3|C<3>}	107.9260	0.000	1	107.9260	0.000	1	107.9260	0.000	1	107.9260	0.000	1	108.8994	6.538	79	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6,6]	C[5]	4:3:3:	4:3:3:4:	3:3:1:	C[5,6,6]-4:C[6a]-3:C[5]-3:	C[6,6]-4:N[5,6]-3:C[5]-3:C[6]-4:	C[5]-3:C[5]-3:Br-1:	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]Br)	C[5,6,6](C[6,6]C[6]O[6]H)(N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]BrH)	C[5](C[5]C[5,6,6]C[6a])(C[5]N[5,6]O)(Br)	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]Br){1|Br<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,6,6](C[6,6]C[6]O[6]H)(N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]BrH){1|Br<1>,1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[5]C[5,6,6]C[6a])(C[5]N[5,6]O)(Br){2|C<3>,3|C<4>}	107.7230	0.000	1	107.7230	0.000	1	107.7230	0.000	1	107.7230	0.000	1	108.8994	6.538	79	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6,6]	C[5]	4:3:3:	4:4:3:2:	4:3:1:	C[5,6,6]-4:C[5]-3:C[6]-3:	C[5,3x6]-4:C[3x6]-4:C[5]-3:O-2:	C[5,6,6]-4:C[5]-3:H-1:	C[5](C[5,6,6]C[5,3x6]C[3x6]O)(C[5]C[5,6,6]H)(C[6]C[6]2)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]Cl)(C[3x6]C[3x6]O[6]2)(C[5]C[5]C[6])(OH)	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]C[6])(H)	C[5](C[5,6,6]C[5,3x6]C[3x6]O)(C[5]C[5,6,6]H)(C[6]C[6]2){1|Cl<1>,1|C<3>,2|H<1>,3|O<2>,5|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]Cl)(C[3x6]C[3x6]O[6]2)(C[5]C[5]C[6])(OH){1|H<1>,1|O<2>,3|C<4>,5|C<3>}	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]C[6])(H){1|Cl<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	107.4705	0.151	2	107.4705	0.023	2	107.4705	0.023	2	107.4705	0.023	2	108.8994	6.538	79	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6,6]	C[5]	4:3:3:	4:4:3:3:	4:3:3:	C[5,6,6]-4:C[5]-3:C[6a]-3:	C[5,3x6]-4:C[6,6]-4:C[5]-3:C[6a]-3:	C[5,6,6]-4:C[5]-3:C[6a]-3:	C[5](C[5,6,6]C[5,3x6]C[6,6]C[6a])(C[5]C[5,6,6]C[6a])(C[6a]C[6a]2)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5,6,6]C[5,3x6]O[6,6]C[6a])(C[5]C[5,6,6]C[6a])(C[6a]C[6a]2)	C[5](C[5,6,6]C[5,3x6]C[6,6]C[6a])(C[5]C[5,6,6]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<2>,4|H<1>,9|C<3>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<2>,2|H<1>,9|C<3>}	C[5](C[5,6,6]C[5,3x6]O[6,6]C[6a])(C[5]C[5,6,6]C[6a])(C[6a]C[6a]2){2|C<4>,3|H<1>,8|C<3>}	109.6170	0.000	1	109.6170	0.000	1	109.6170	0.000	1	109.6170	0.000	1	108.8994	6.538	79	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6,6]	C[5]	4:3:4:	4:2:3:4:	4:3:4:	C[5,6,6]-4:C[5]-3:C-4:	C[5,3x6]-4:O[6,6]-2:C[5]-3:C-4:	C[5,6,6]-4:C[5]-3:C-4:	C[5](C[5,6,6]C[5,3x6]O[6,6]C)(C[5]C[5,6,6]C)(CH3)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(O[6,6]P[3x6])(C[5]C[5]C)(CH3)	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]C)(CH3)	C[5](C[5,6,6]C[5,3x6]O[6,6]C)(C[5]C[5,6,6]C)(CH3){1|P<4>,4|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(O[6,6]P[3x6])(C[5]C[5]C)(CH3){1|Cr<6>,1|H<1>,1|O<2>,4|C<4>}	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]C)(CH3){1|C<3>,1|H<1>,1|O<2>,1|P<4>,3|C<4>}	110.1850	0.000	1	109.9590	0.052	3	109.9590	0.052	3	109.9590	0.052	3	108.8994	6.538	79	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6,6]	C[5]	4:3:4:	4:2:3:4:	4:3:4:	C[5,6,6]-4:C[5]-3:C-4:	C[5,3x6]-4:O[6,6]-2:C[5]-3:C-4:	C[5,6,6]-4:C[5]-3:C-4:	C[5](C[5,6,6]C[5,3x6]O[6,6]C)(C[5]C[5,6,6]C)(CH3)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(O[6,6]P[3x6])(C[5]C[5]C)(CH3)	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]C)(CH3)	C[5](C[5,6,6]C[5,3x6]O[6,6]C)(C[5]C[5,6,6]C)(CH3){1|P<4>,4|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(O[6,6]P[3x6])(C[5]C[5]C)(CH3){1|H<1>,1|O<2>,1|W<6>,4|C<4>}	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]C)(CH3){1|C<3>,1|H<1>,1|O<2>,1|P<4>,3|C<4>}	109.9650	0.000	1	109.9590	0.052	3	109.9590	0.052	3	109.9590	0.052	3	108.8994	6.538	79	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6,6]	C[5]	4:3:4:	4:2:3:4:	4:3:4:	C[5,6,6]-4:C[5]-3:C-4:	C[5,3x6]-4:O[6,6]-2:C[5]-3:C-4:	C[5,6,6]-4:C[5]-3:C-4:	C[5](C[5,6,6]C[5,3x6]O[6,6]C)(C[5]C[5,6,6]C)(CH3)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(O[6,6]P[3x6])(C[5]C[5]C)(CH3)	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]C)(CH3)	C[5](C[5,6,6]C[5,3x6]O[6,6]C)(C[5]C[5,6,6]C)(CH3){1|P<4>,4|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(O[6,6]P[3x6])(C[5]C[5]C)(CH3){1|Mo<6>,1|H<1>,1|O<2>,4|C<4>}	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]C)(CH3){1|C<3>,1|H<1>,1|O<2>,1|P<4>,3|C<4>}	109.7270	0.000	1	109.9590	0.052	3	109.9590	0.052	3	109.9590	0.052	3	108.8994	6.538	79	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6,6]	C[5]	4:3:4:	4:2:4:3:	3:3:1:	C[5,6,6]-4:C[5]-3:C-4:	C[5,6]-4:O[6,6]-2:C[6]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6,6]C[5,6]O[6,6]C[6])(C[5]C[5]H)(CCCH)	C[5,6,6](C[5,6]C[5]C[6]C)(O[6,6]C[5,6,6])(C[6]C[6]HH)(C[5]C[5]C)	C[5](C[5]C[5,6,6]C)(C[5]C[5,6]O)(H)	C[5](C[5,6,6]C[5,6]O[6,6]C[6])(C[5]C[5]H)(CCCH){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6]C[5]C[6]C)(O[6,6]C[5,6,6])(C[6]C[6]HH)(C[5]C[5]C){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	C[5](C[5]C[5,6,6]C)(C[5]C[5,6]O)(H){1|C<3>,1|O<2>,2|C<4>}	110.0860	0.000	1	110.0860	0.000	1	110.0860	0.000	1	110.0860	0.000	1	108.8994	6.538	79	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6,6]	C[5]	4:3:4:	4:2:4:3:	4:3:1:	C[5,6,6]-4:C[5]-3:C-4:	C[6,6]-4:O[5,6]-2:C[6]-4:C[5]-3:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]H)(CH3)	C[5,6,6](C[6,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]O[6]HH)(C[5]C[5]C)	C[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6,6]C)(H)	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]H)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6,6](C[6,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]O[6]HH)(C[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6,6]C)(H){1|C<3>,4|C<4>}	106.8660	0.000	1	106.8660	0.000	1	106.8660	0.000	1	106.8660	0.000	1	108.8994	6.538	79	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6,6]	C[5]	4:3:4:	4:3:3:3:	3:3:1:	C[5,6,6]-4:C[5]-3:C-4:	C[6,6]-4:N[5,6]-3:C[5]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]H)(CCHH)	C[5,6,6](C[6,6]C[5a,6]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]C)(C[6]C[6]O)	C[5](C[5]C[5,6,6]C)(C[5]N[5,6]O)(H)	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]H)(CCHH){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	C[5,6,6](C[6,6]C[5a,6]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]C)(C[6]C[6]O){1|O<1>,4|C<3>,5|H<1>}	C[5](C[5]C[5,6,6]C)(C[5]N[5,6]O)(H){1|C<3>,2|C<4>}	109.6710	0.000	1	109.6710	0.000	1	109.6710	0.000	1	109.6710	0.000	1	108.8994	6.538	79	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6,6]	C[5]	4:3:4:	4:4:3:4:	4:3:4:	C[5,6,6]-4:C[5]-3:C-4:	C[5,3x6]-4:C[6,6]-4:C[5]-3:C-4:	C[5,6,6]-4:C[5]-3:C-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]C)(CH3)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]P[3x6]C[6a]H)(C[5]C[5]C)(CH3)	C[5](C[5,6,6]C[5,3x6]O[6,6]C)(C[5]C[5,6,6]C)(CH3)	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]C)(CH3){1|C<3>,1|H<1>,1|O<2>,1|P<4>,3|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]P[3x6]C[6a]H)(C[5]C[5]C)(CH3){1|Cr<6>,1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C[5](C[5,6,6]C[5,3x6]O[6,6]C)(C[5]C[5,6,6]C)(CH3){1|P<4>,4|C<4>}	110.3820	0.000	1	110.7297	0.100	3	110.7297	0.100	3	110.7297	0.100	3	108.8994	6.538	79	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6,6]	C[5]	4:3:4:	4:4:3:4:	4:3:4:	C[5,6,6]-4:C[5]-3:C-4:	C[5,3x6]-4:C[6,6]-4:C[5]-3:C-4:	C[5,6,6]-4:C[5]-3:C-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]C)(CH3)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]P[3x6]C[6a]H)(C[5]C[5]C)(CH3)	C[5](C[5,6,6]C[5,3x6]O[6,6]C)(C[5]C[5,6,6]C)(CH3)	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]C)(CH3){1|C<3>,1|H<1>,1|O<2>,1|P<4>,3|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]P[3x6]C[6a]H)(C[5]C[5]C)(CH3){1|H<1>,1|W<6>,2|C<3>,2|O<2>,3|C<4>}	C[5](C[5,6,6]C[5,3x6]O[6,6]C)(C[5]C[5,6,6]C)(CH3){1|P<4>,4|C<4>}	110.8060	0.000	1	110.7297	0.100	3	110.7297	0.100	3	110.7297	0.100	3	108.8994	6.538	79	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6,6]	C[5]	4:3:4:	4:4:3:4:	4:3:4:	C[5,6,6]-4:C[5]-3:C-4:	C[5,3x6]-4:C[6,6]-4:C[5]-3:C-4:	C[5,6,6]-4:C[5]-3:C-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]C)(CH3)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]P[3x6]C[6a]H)(C[5]C[5]C)(CH3)	C[5](C[5,6,6]C[5,3x6]O[6,6]C)(C[5]C[5,6,6]C)(CH3)	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]C)(CH3){1|C<3>,1|H<1>,1|O<2>,1|P<4>,3|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]P[3x6]C[6a]H)(C[5]C[5]C)(CH3){1|Mo<6>,1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C[5](C[5,6,6]C[5,3x6]O[6,6]C)(C[5]C[5,6,6]C)(CH3){1|P<4>,4|C<4>}	111.0010	0.000	1	110.7297	0.100	3	110.7297	0.100	3	110.7297	0.100	3	108.8994	6.538	79	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,5]	3:4:1:	4:3:2:2:	3:4:3:	C[5,5]-3:C[5,6]-4:H-1:	C[5]-4:C[5]-3:O[6]-2:O[6]-2:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5]O[6]2)(H)	C[5,6](C[5]C[5,5]CC)(C[5]C[5,5]H)(O[6]C[6])2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5,6]H)	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5]O[6]2)(H){1|H<1>,3|C<3>,4|C<4>}	C[5,6](C[5]C[5,5]CC)(C[5]C[5,5]H)(O[6]C[6])2{1|C<3>,2|C<4>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5,6]H){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	108.6250	0.000	1	108.6250	0.000	1	109.5443	0.865	3	109.5443	0.865	3	108.9020	4.606	11	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,5]	3:4:1:	4:3:2:2:	3:4:3:	C[5,5]-3:C[5,6]-4:H-1:	C[5]-4:C[5]-3:O[6]-2:O[6]-2:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5]O[6]2)(H)	C[5,6](C[5]C[5,5]CH)(C[5]C[5,5]H)(O[6]C[6])2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5,6]H)	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5]O[6]2)(H){1|C<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5]C[5,5]CH)(C[5]C[5,5]H)(O[6]C[6])2{1|C<3>,2|C<4>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5,6]H){1|C<2>,2|C<3>,2|O<2>,4|H<1>}	109.5230	0.000	1	110.0040	0.463	2	109.5443	0.865	3	109.5443	0.865	3	108.9020	4.606	11	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,5]	3:4:1:	4:3:2:2:	3:4:3:	C[5,5]-3:C[5,6]-4:H-1:	C[5]-4:C[5]-3:O[6]-2:O[6]-2:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5]O[6]2)(H)	C[5,6](C[5]C[5,5]CH)(C[5]C[5,5]H)(O[6]C[6])2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5,6]H)	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5]O[6]2)(H){2|H<1>,3|C<3>,3|C<4>}	C[5,6](C[5]C[5,5]CH)(C[5]C[5,5]H)(O[6]C[6])2{1|C<3>,2|C<4>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5,6]H){2|O<2>,3|C<3>,4|H<1>}	110.4850	0.000	1	110.0040	0.463	2	109.5443	0.865	3	109.5443	0.865	3	108.9020	4.606	11	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,5]	3:4:1:	4:3:2:2:	4:3:4:	C[5,5]-3:C[5,6]-4:H-1:	C[5]-4:C[5]-3:O[6]-2:O[6]-2:	C[5,5]-4:C[5]-3:C[5]-4:	C[5](C[5,5]C[5,5]C[5])(C[5,6]C[5]O[6]2)(H)	C[5,6](C[5]C[5,5]CH)(C[5]C[5,5]H)(O[6]C[6])2	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]H)(C[5]C[5]HH)	C[5](C[5,5]C[5,5]C[5])(C[5,6]C[5]O[6]2)(H){1|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5]C[5,5]CH)(C[5]C[5,5]H)(O[6]C[6])2{3|C<4>,5|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]H)(C[5]C[5]HH){1|C<3>,2|O<2>,5|H<1>}	111.2620	0.000	1	111.2620	0.000	1	111.2620	0.000	1	111.2620	0.000	1	108.9020	4.606	11	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,5]	3:4:1:	4:3:4:3:	3:4:3:	C[5,5]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-4:C-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5,6]C[6]C)(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5]C[5,5]H)(C[6]N[6]HH)(COO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]O[5]H)(C[5]C[5,6]H)	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5,6]C[6]C)(H){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5]C[5,5]H)(C[6]N[6]HH)(COO){1|H<1>,1|O<2>,1|S<4>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]O[5]H)(C[5]C[5,6]H){1|C<4>,2|H<1>,4|C<3>}	110.0560	0.000	1	110.0560	0.000	1	110.2575	0.081	2	110.2575	0.081	2	108.9020	4.606	11	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,5]	3:4:1:	4:3:4:3:	3:4:3:	C[5,5]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-4:C-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5,6]C[6]C)(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5]C[5,5]H)(C[6]N[6]HH)(COO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]S[5]H)(C[5]C[5,6]H)	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5,6]C[6]C)(H){1|N<3>,1|S<2>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5]C[5,5]H)(C[6]N[6]HH)(COO){1|H<1>,1|S<2>,1|S<4>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]S[5]H)(C[5]C[5,6]H){1|C<4>,2|H<1>,4|C<3>}	110.4590	0.000	1	110.4590	0.000	1	110.2575	0.081	2	110.2575	0.081	2	108.9020	4.606	11	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,5]	3:4:3:	3:3:3:3:	4:3:2:	C[5,5]-3:C[5,6]-4:C[6a]-3:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,5]-4:C[5]-3:O[5]-2:	C[5](C[5,5]C[5,5]O[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)	C[5,6](C[5]C[5,5]C[6a])(C[5]C[5,5]H)(C[6]C[6]H)2	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5,6]C[6a])(O[5]C[5])	C[5](C[5,5]C[5,5]O[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2){1|N<3>,5|C<3>,6|H<1>}	C[5,6](C[5]C[5,5]C[6a])(C[5]C[5,5]H)(C[6]C[6]H)2{1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5,6]C[6a])(O[5]C[5]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	105.9810	0.000	1	105.9810	0.000	1	105.9810	0.000	1	105.9810	0.000	1	108.9020	4.606	11	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,5]	3:4:3:	3:4:3:3:	4:3:3:	C[5,5]-3:C[5,6]-4:C[6a]-3:	C[5]-3:C[5]-4:C[6]-3:C[6]-3:	C[5,5]-4:C[5]-3:N[5]-3:	C[5](C[5,5]C[5,5]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)	C[5,6](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6]C[6]H)2	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5,6]C[6a])(N[5]C[5]C)	C[5](C[5,5]C[5,5]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2){1|N<3>,6|C<3>,7|H<1>}	C[5,6](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6]C[6]H)2{2|N<3>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5,6]C[6a])(N[5]C[5]C){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	107.3030	0.000	1	107.3030	0.000	1	107.3030	0.000	1	107.3030	0.000	1	108.9020	4.606	11	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,5]	3:4:3:	3:4:4:4:	3:3:4:	C[5,5]-3:C[5,6]-4:C[6a]-3:	C[5]-3:C[5]-4:C[6]-4:C[6]-4:	C[5,6a]-3:C[5]-3:C[5,5]-4:	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)	C[5,6](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6]C[6]HH)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(C[5,5]C[5]2C)	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2){3|C<4>,5|C<3>,8|H<1>}	C[5,6](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6]C[6]HH)2{1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(C[5,5]C[5]2C){2|C<4>,4|C<3>,5|H<1>}	110.7520	0.000	1	110.7520	0.000	1	110.7520	0.000	1	110.7520	0.000	1	108.9020	4.606	11	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,5]	3:4:4:	4:3:4:1:	3:3:3:	C[5,5]-3:C[5,6]-4:C-4:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6a]-3:N[5,5]-3:C[5]-3:	C[5](C[5,5]C[5,6a]N[5,5])(C[5,6]C[5,6]C[6]H)(CCHH)	C[5,6](C[5,6]N[5,5]C[6]H)(C[5]C[5,5]C)(C[6]C[6]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6]S[5])(C[5]C[5,6]C)	C[5](C[5,5]C[5,6a]N[5,5])(C[5,6]C[5,6]C[6]H)(CCHH){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]N[5,5]C[6]H)(C[5]C[5,5]C)(C[6]C[6]HH)(H){1|S<4>,2|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6]S[5])(C[5]C[5,6]C){1|C<4>,2|O<1>,3|C<3>,3|H<1>}	108.9620	0.000	1	108.9620	0.000	1	108.9620	0.000	1	108.9620	0.000	1	108.9020	4.606	11	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,5]	4:3:1:	4:2:3:1:	4:3:3:	C[5,6]-4:C[5,5]-3:H-1:	C[5,6]-4:O[5,6]-2:C[5]-3:H-1:	C[5,5,6]-4:N[5]-3:C[5]-3:	C[5](C[5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]N[5])(H)	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5,5]H)(H)	C[5,5](C[5,5,6]C[5,6a]C[5,6]O[5,6])(N[5]C[5,6a]C)(C[5]C[5,6]H)	C[5](C[5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]N[5])(H){1|H<1>,2|C<4>,4|C<3>}	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5,5]H)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,5](C[5,5,6]C[5,6a]C[5,6]O[5,6])(N[5]C[5,6a]C)(C[5]C[5,6]H){2|C<4>,2|H<1>,3|C<3>}	104.5140	0.000	1	104.5140	0.000	1	104.5140	0.000	1	104.5140	0.000	1	108.9020	4.606	11	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6]	3:4:1:	2:3:3:1:	4:3:4:	C[5,6]-3:C[5,6]-4:H-1:	O[5,6]-2:C[5]-3:C[6]-3:H-1:	C[5,6,6]-4:C[5]-3:C[6]-4:	C[5](C[5,6]C[5,6,6]C[6])(C[5,6]O[5,6]C[6]H)(H)	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]H)(C[6]C[6]O)(H)	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]H)(C[6]C[6]HO)	C[5](C[5,6]C[5,6,6]C[6])(C[5,6]O[5,6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	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[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]H)(C[6]C[6]HO){1|Br<1>,1|C<4>,2|C<3>,5|H<1>}	108.1200	0.000	1	108.1200	0.000	1	108.1200	0.000	1	108.1200	0.000	1	110.0246	4.663	33	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6]	3:4:1:	2:4:3:1:	4:3:4:	C[5,6]-3:C[5,6]-4:H-1:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5]-3:C[6]-4:	C[5](C[5,6]C[5,6,6]C[6])(C[5,6]O[5,6]C[6]H)(H)	C[5,6](O[5,6]C[5,6,6])(C[6]C[5a,6]CH)(C[5]C[5,6]H)(H)	C[5,6](C[5,6,6]C[5a,6]O[5,6]C[6])(C[5]C[5,6]H)(C[6]C[6]HO)	C[5](C[5,6]C[5,6,6]C[6])(C[5,6]O[5,6]C[6]H)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](O[5,6]C[5,6,6])(C[6]C[5a,6]CH)(C[5]C[5,6]H)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6](C[5,6,6]C[5a,6]O[5,6]C[6])(C[5]C[5,6]H)(C[6]C[6]HO){2|C<3>,2|C<4>,5|H<1>}	108.2650	0.000	1	108.2650	0.000	1	108.2650	0.000	1	108.2650	0.000	1	110.0246	4.663	33	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6]	3:4:1:	3:2:2:2:	3:3:4:	C[5,6]-3:C[5,6]-4:O-1:	C[5]-3:O[5]-2:S[6]-2:S[6]-2:	C[5,6]-3:C[5]-3:C[6]-4:	C[5](C[5,6]C[5,6]C[6])(C[5,6]O[5]S[6]2)(O)	C[5,6](C[5]C[5,6]O)(O[5]C[5,6])(S[6]C[6])2	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,6]O)(C[6]C[6]HH)	C[5](C[5,6]C[5,6]C[6])(C[5,6]O[5]S[6]2)(O){2|H<1>,4|C<4>}	C[5,6](C[5]C[5,6]O)(O[5]C[5,6])(S[6]C[6])2{3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,6]O)(C[6]C[6]HH){1|C<4>,2|S<2>,4|H<1>}	105.1840	0.000	1	105.1840	0.000	1	105.1840	0.000	1	105.1840	0.000	1	110.0246	4.663	33	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6]	3:4:1:	3:3:3:1:	4:4:3:	C[5,6]-3:C[5,6]-4:H-1:	C[5,6]-3:C[5]-3:C[6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[5]-3:	C[5](C[5,6]C[5,6,6]C[6,6])(C[5,6]C[5,6]C[6]H)(H)	C[5,6](C[5,6]C[5,6,6]O)(C[5]C[5,6]H)(C[6]C[6]Si)(H)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]H)	C[5](C[5,6]C[5,6,6]C[6,6])(C[5,6]C[5,6]C[6]H)(H){1|Si<4>,1|O<1>,2|C<3>,4|C<4>}	C[5,6](C[5,6]C[5,6,6]O)(C[5]C[5,6]H)(C[6]C[6]Si)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]H){2|C<3>,2|O<1>,3|C<4>,6|H<1>}	111.2220	0.000	1	111.2220	0.000	1	111.2220	0.000	1	111.2220	0.000	1	110.0246	4.663	33	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6]	3:4:1:	3:3:4:4:	3:3:3:	C[5,6]-3:C[5,6]-4:H-1:	C[5]-3:C[5]-3:C[6]-4:C[6]-4:	C[6,6a]-3:N[5,6]-3:C[5]-3:	C[5](C[5,6]C[6,6a]N[5,6])(C[5,6]C[5]C[6]2)(H)	C[5,6](C[5]C[5,6]H)(C[5]N[5,6]O)(C[6]C[6]CH)(C[6]C[6]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5,6]H)	C[5](C[5,6]C[6,6a]N[5,6])(C[5,6]C[5]C[6]2)(H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5]C[5,6]H)(C[5]N[5,6]O)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5,6]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	109.1360	0.000	1	109.1360	0.000	1	109.1360	0.000	1	109.1360	0.000	1	110.0246	4.663	33	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6]	3:4:1:	4:3:2:2:	3:4:3:	C[5,6]-3:C[5,6]-4:H-1:	C[5]-4:C[5]-3:O[6]-2:O[6]-2:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]O[6]2)(H)	C[5,6](C[5]C[5,6]CC)(C[5]C[5,6]H)(O[6]C[6])2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5,6]H)	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]O[6]2)(H){1|H<1>,3|C<3>,4|C<4>}	C[5,6](C[5]C[5,6]CC)(C[5]C[5,6]H)(O[6]C[6])2{1|C<3>,2|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5,6]H){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	111.6120	0.000	1	111.6120	0.000	1	111.8410	0.105	2	111.8410	0.105	2	110.0246	4.663	33	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6]	3:4:1:	4:3:2:2:	3:4:3:	C[5,6]-3:C[5,6]-4:H-1:	C[5]-4:C[5]-3:O[6]-2:O[6]-2:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]O[6]2)(H)	C[5,6](C[5]C[5,6]CH)(C[5]C[5,6]H)(O[6]C[6])2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5,6]H)	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]O[6]2)(H){2|H<1>,3|C<3>,3|C<4>}	C[5,6](C[5]C[5,6]CH)(C[5]C[5,6]H)(O[6]C[6])2{1|C<3>,2|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5,6]H){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	112.0700	0.000	1	112.0700	0.000	1	111.8410	0.105	2	111.8410	0.105	2	110.0246	4.663	33	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6]	3:4:3:	3:3:3:3:	4:3:3:	C[5,6]-3:C[5,6]-4:C[6a]-3:	N[5,6]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6,6]-4:C[6,6a]-3:C[5]-3:	C[5](C[5,6]C[5,6,6]C[6,6a])(C[5,6]N[5,6]C[6]2)(C[6a]C[6a]2)	C[5,6](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]C[6a])(C[6]C[6]H)2	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]C[6a])	C[5](C[5,6]C[5,6,6]C[6,6a])(C[5,6]N[5,6]C[6]2)(C[6a]C[6a]2){1|C<4>,5|H<1>,7|C<3>}	C[5,6](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]C[6a])(C[6]C[6]H)2{1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]C[6a]){2|C<4>,2|H<1>,7|C<3>}	110.9695	0.120	2	110.9695	0.014	2	110.9695	0.014	2	110.9695	0.014	2	110.0246	4.663	33	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6]	3:4:3:	3:4:2:4:	3:4:3:	C[5,6]-3:C[5,6]-4:C[6a]-3:	C[5]-3:C[5]-4:O[6]-2:C[6]-4:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]O[6])(C[6a]C[6a]2)	C[5,6](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(O[6]C[6,6a])(C[6]O[6]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5,6]C[6a])	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]O[6])(C[6a]C[6a]2){1|C<4>,1|O<2>,6|C<3>,6|H<1>}	C[5,6](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(O[6]C[6,6a])(C[6]O[6]HH){1|C<4>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5,6]C[6a]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	109.7430	0.000	1	109.7430	0.000	1	109.7430	0.000	1	109.7430	0.000	1	110.0246	4.663	33	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6]	3:4:3:	3:4:3:3:	3:4:3:	C[5,6]-3:C[5,6]-4:C[6a]-3:	C[5]-3:C[5]-4:C[6]-3:C[6]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)	C[5,6](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6]C[6]H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5,6]C[6a])	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2){1|C<4>,6|H<1>,7|C<3>}	C[5,6](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6]C[6]H)2{1|C<4>,2|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5,6]C[6a]){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	111.1805	0.848	2	111.1805	0.719	2	111.3130	0.412	3	111.3130	0.412	3	110.0246	4.663	33	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6]	3:4:3:	3:4:3:3:	3:4:3:	C[5,6]-3:C[5,6]-4:C[6a]-3:	C[5]-3:C[5]-4:C[6]-3:C[6]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)	C[5,6](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6]C[6]O)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5,6]C[6a])	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2){2|O<1>,3|C<4>,4|H<1>,5|C<3>}	C[5,6](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6]C[6]O)2{2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5,6]C[6a]){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	111.5780	0.000	1	111.5780	0.000	1	111.3130	0.412	3	111.3130	0.412	3	110.0246	4.663	33	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6]	3:4:3:	3:4:4:4:	3:4:3:	C[5,6]-3:C[5,6]-4:C[6a]-3:	C[5]-3:C[5]-4:C[6]-4:C[6]-4:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)	C[5,6](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6]C[6]HH)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5,6]C[6a])	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2){3|C<4>,5|C<3>,8|H<1>}	C[5,6](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6]C[6]HH)2{2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5,6]C[6a]){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	112.2510	0.000	1	112.2510	0.000	1	112.2510	0.000	1	112.2510	0.000	1	110.0246	4.663	33	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6]	4:3:1:	3:2:3:1:	4:3:4:	C[5,6]-4:C[5,6]-3:H-1:	C[6,6a]-3:O[5,6]-2:C[5]-3:H-1:	C[5,6,6]-4:C[5]-3:C[6]-4:	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5,6]C[5,6,6]C[6])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6,6])(C[5]C[5,6]H)(H)	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]H)(C[6]O[6]HH)	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5,6]C[5,6,6]C[6])(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6,6])(C[5]C[5,6]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]H)(C[6]O[6]HH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	108.1160	0.000	1	108.1160	0.000	1	108.1160	0.000	1	108.1160	0.000	1	110.0246	4.663	33	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6]	4:3:1:	3:3:3:4:	4:3:4:	C[5,6]-4:C[5,6]-3:H-1:	C[6,6a]-3:C[5]-3:N[5]-3:C[6]-4:	C[5,6]-4:C[5]-3:C[6]-4:	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5,6]C[5,6]C[6])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]H)(N[5]C[5,6]S)(C[6]O[6]HH)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5,6]H)(C[6]C[6]HH)	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5,6]C[5,6]C[6])(H){1|O<2>,1|S<4>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]H)(N[5]C[5,6]S)(C[6]O[6]HH){2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5,6]H)(C[6]C[6]HH){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	113.9660	0.000	1	113.9660	0.000	1	113.9660	0.000	1	113.9660	0.000	1	110.0246	4.663	33	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6]	4:3:1:	4:2:3:3:	4:3:4:	C[5,6]-4:C[5,6]-3:H-1:	C[6,6]-4:O[5,6]-2:C[5]-3:C[6a]-3:	C[5,6,6]-4:C[5]-3:C[6]-4:	C[5](C[5,6]C[6,6]O[5,6]C[6a])(C[5,6]C[5,6,6]C[6])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6,6])(C[5]C[5,6]H)(C[6a]C[6a]2)	C[5,6](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]H)(C[6]C[6]HH)	C[5](C[5,6]C[6,6]O[5,6]C[6a])(C[5,6]C[5,6,6]C[6])(H){3|C<3>,3|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6,6])(C[5]C[5,6]H)(C[6a]C[6a]2){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]H)(C[6]C[6]HH){2|C<3>,4|C<4>,4|H<1>}	107.8720	0.000	1	107.8720	0.000	1	107.8720	0.000	1	107.8720	0.000	1	110.0246	4.663	33	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6]	4:3:1:	4:3:2:1:	4:4:3:	C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:C[5]-3:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5](C[5,6]C[5,6]O[6]H)(C[5,6]C[5,6]2)(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]H)(O[6]C[5,6])(H)	C[5,6](C[5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]C)(C[5]C[5,6]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5,6]C[5,6]2)(H){1|C<3>,7|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]H)(O[6]C[5,6])(H){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]C)(C[5]C[5,6]H){1|O<1>,1|O<2>,5|H<1>,7|C<4>}	111.3275	1.184	2	111.3275	1.403	2	111.3275	1.403	2	111.3275	1.403	2	110.0246	4.663	33	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6]	4:3:1:	4:3:3:1:	4:3:4:	C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]H)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(C[6]C[6]CC)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(H){1|C<3>,1|H<1>,7|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]H)(C[6]C[6]C)(H){4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(C[6]C[6]CC){2|C<3>,3|C<4>,4|H<1>}	112.2230	0.000	1	112.2230	0.000	1	112.2230	0.000	1	112.2230	0.000	1	110.0246	4.663	33	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6]	4:3:1:	4:3:4:1:	3:3:4:	C[5,6]-4:C[5,6]-3:O-1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(O)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O)(C[6]C[6]CC)(H)	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]O)(C[6]C[6]HH)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(O){2|H<1>,7|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O)(C[6]C[6]CC)(H){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]O)(C[6]C[6]HH){3|H<1>,6|C<4>}	104.9880	0.000	1	104.9880	0.000	1	106.4197	2.503	3	106.4197	2.503	3	110.0246	4.663	33	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6]	4:3:1:	4:3:4:1:	3:3:4:	C[5,6]-4:C[5,6]-3:O-1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(O)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6a]C[5,6])(C[5]C[5,6]O)(C[6]C[6]HH)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(O){1|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,6])(C[5]C[5,6]O)(C[6]C[6]HH){2|C<3>,3|C<4>,3|H<1>}	106.1530	0.000	1	106.1530	0.000	1	106.4197	2.503	3	106.4197	2.503	3	110.0246	4.663	33	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6]	4:3:1:	4:3:4:1:	3:3:4:	C[5,6]-4:C[5,6]-3:O-1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(O)	C[5,6](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5,6]O)(C[6]O[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]O)(C[6]C[6]HH)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(O){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5,6]O)(C[6]O[6]HH)(H){2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]O)(C[6]C[6]HH){1|C<3>,3|C<4>,5|H<1>}	108.1180	0.000	1	108.1180	0.000	1	106.4197	2.503	3	106.4197	2.503	3	110.0246	4.663	33	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:4:3:	C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:P[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](C[5,6]C[5,6]P[6]H)(C[5,6]C[5,6]C[6])(H)	C[5,6](C[5,6]C[5,6]B[6]H)(P[6]C[6a]2C[6])(C[5]C[5,6]H)(H)	C[5,6](C[5,6]C[5,6]2H)(C[6]C[5,6]CC)(C[5]C[5,6]H)	C[5](C[5,6]C[5,6]P[6]H)(C[5,6]C[5,6]C[6])(H){1|B<4>,2|C<3>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]B[6]H)(P[6]C[6a]2C[6])(C[5]C[5,6]H)(H){3|C<4>,3|H<1>,6|C<3>}	C[5,6](C[5,6]C[5,6]2H)(C[6]C[5,6]CC)(C[5]C[5,6]H){1|B<4>,1|P<4>,3|C<3>,4|H<1>}	113.1070	0.000	1	113.1070	0.000	1	113.1070	0.000	1	113.1070	0.000	1	110.0246	4.663	33	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6]	4:3:2:	4:3:3:2:	4:3:3:	C[5,6]-4:C[5,6]-3:O-2:	C[5,6]-4:C[5,6,6]-3:C[5]-3:O-2:	C[5,6]-4:C[5,6,6]-3:C[5]-3:	C[5](C[5,6]C[5,6,6]C[5,6]O)(C[5,6]C[5,6,6]C[5,6])(OC[5])	C[5,6](C[5,6]C[5,6,6a]C[5,6a]C[6a])(C[5,6,6]C[5,6,6]2)(C[5]C[5,6]O)(OH)	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6,6]C[5,6,6]2)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6,6]C[5,6]O)(C[5,6]C[5,6,6]C[5,6])(OC[5]){1|O<2>,2|C<4>,5|C<3>}	C[5,6](C[5,6]C[5,6,6a]C[5,6a]C[6a])(C[5,6,6]C[5,6,6]2)(C[5]C[5,6]O)(OH){1|O<2>,2|C<4>,7|C<3>}	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6,6]C[5,6,6]2)(C[5]C[5,6]O){2|C<4>,2|O<2>,5|C<3>}	112.8040	0.000	1	112.8040	0.000	1	112.8040	0.000	1	112.8040	0.000	1	110.0246	4.663	33	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6]	4:3:3:	3:3:3:4:	3:3:3:	C[5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-4:	C[5,6,6a]-3:C[5]-3:C[6]-3:	C[5](C[5,6]C[5,6a]C[6,6]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]C[5,6]C[6a])(C[6]C[6]CH)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5,6]C[6a])(C[6]C[6]H)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2){2|C<4>,3|H<1>,8|C<3>}	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]C[5,6]C[6a])(C[6]C[6]CH){4|H<1>,8|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5,6]C[6a])(C[6]C[6]H){2|C<4>,6|C<3>}	109.1450	0.000	1	109.1450	0.000	1	109.1450	0.000	1	109.6660	0.258	8	110.0246	4.663	33	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6]	4:3:3:	3:3:3:4:	3:3:3:	C[5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-4:	C[5,6,6a]-3:C[5]-3:C[6]-3:	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]C[6a])(C[6]C[6]CH)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5,6]C[6a])(C[6]C[6]H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2){2|C<4>,3|H<1>,8|C<3>}	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]C[6a])(C[6]C[6]CH){1|O<2>,3|H<1>,8|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5,6]C[6a])(C[6]C[6]H){1|C<4>,1|H<1>,6|C<3>}	108.9170	0.000	1	109.7404	0.249	7	109.7404	0.249	7	109.6660	0.258	8	110.0246	4.663	33	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6]	4:3:3:	3:3:3:4:	3:3:3:	C[5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-4:	C[5,6,6a]-3:C[5]-3:C[6]-3:	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]C[6a])(C[6]C[6]CH)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5,6]C[6a])(C[6]C[6]H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2){2|C<4>,3|H<1>,8|C<3>}	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]C[6a])(C[6]C[6]CH){4|H<1>,8|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5,6]C[6a])(C[6]C[6]H){1|C<4>,1|H<1>,6|C<3>}	109.9608	0.450	4	109.7404	0.249	7	109.7404	0.249	7	109.6660	0.258	8	110.0246	4.663	33	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5,6]	4:3:3:	3:3:3:4:	3:3:3:	C[5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-4:	C[5,6,6a]-3:C[5]-3:C[6]-3:	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]C[6a])(C[6]C[6]CH)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5,6]C[6a])(C[6]C[6]H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2){2|C<4>,3|H<1>,8|C<3>}	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]C[6a])(C[6]C[6]CH){4|H<1>,8|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5,6]C[6a])(C[6]C[6]H){2|C<4>,6|C<3>}	109.7115	0.104	2	109.7404	0.249	7	109.7404	0.249	7	109.6660	0.258	8	110.0246	4.663	33	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	3:4:3:	3:4:3:3:	3:3:2:	C[5a]-3:C[5,6]-4:C[5]-3:	C[5]-3:C[5]-4:C[6]-3:C[6]-3:	C[5]-3:C[5]-3:O-2:	C[5](C[5a]C[5a,6a]C[5a])(C[5,6]C[5]C[6]2)(C[5]C[5]O)	C[5,6](C[5]C[5a]C[5])(C[5]C[5]HH)(C[6]C[6]H)2	C[5](C[5]C[5,6]C[5a])(C[5]C[5]O)(OH)	C[5](C[5a]C[5a,6a]C[5a])(C[5,6]C[5]C[6]2)(C[5]C[5]O){1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5,6](C[5]C[5a]C[5])(C[5]C[5]HH)(C[6]C[6]H)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6]C[5a])(C[5]C[5]O)(OH){2|H<1>,4|C<3>}	109.7890	0.000	1	109.7890	0.000	1	109.7890	0.000	1	109.7890	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	3:4:3:	4:3:4:4:	3:4:1:	C[6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5]-3:C[5]-4:H-1:	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]C)(C[5]C[5]H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[6a]C[5])(C[6]C[6]HH)(CH3)	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(H)	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]C)(C[5]C[5]H){2|C<4>,3|C<3>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[6a]C[5])(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,6|H<1>}	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(H){1|H<1>,2|C<3>,3|C<4>}	110.3840	0.000	1	110.3840	0.000	1	110.3840	0.000	1	110.9155	0.565	2	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	3:4:3:	4:3:4:4:	3:4:1:	N[5a]-3:C[5,6]-4:C[5]-3:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5]-3:C[5]-4:H-1:	C[5](N[5a]C[5a,6a]N[5a])(C[5,6]C[5,6]C[6]C)(C[5]C[5]H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]N[5a]C[5])(C[6]C[6]HH)(CH3)	C[5](C[5]C[5,6]N[5a])(C[5]C[5,6]HH)(H)	C[5](N[5a]C[5a,6a]N[5a])(C[5,6]C[5,6]C[6]C)(C[5]C[5]H){2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]N[5a]C[5])(C[6]C[6]HH)(CH3){1|C<3>,1|N<2>,2|C<4>,6|H<1>}	C[5](C[5]C[5,6]N[5a])(C[5]C[5,6]HH)(H){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	111.4470	0.000	1	111.4470	0.000	1	111.4470	0.000	1	110.9155	0.565	2	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	2:2:3:3:	3:4:1:	C[5,6]-4:C[5]-3:H-1:	O[6]-2:O[6]-2:C[5]-3:C[5]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[5,6]C[5]O[6]2)(C[5]C[5]H)(H)	C[5,6](O[6]C[6,6a])2(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[5,6]H)(C[5]C[5]HO)(H)	C[5](C[5,6]C[5]O[6]2)(C[5]C[5]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6](O[6]C[6,6a])2(C[5]C[5]C)(C[5]C[5]H){1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6]H)(C[5]C[5]HO)(H){1|C<3>,2|O<2>}	111.4270	0.000	1	111.4270	0.000	1	111.4270	0.000	1	111.4270	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	2:3:3:1:	4:3:3:	C[5,6]-4:C[5]-3:H-1:	O[5,6]-2:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6a])(H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]H)(C[6]C[6]O)(H)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6a])(H){1|C<4>,1|O<1>,4|C<3>}	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[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(C[6a]C[6a]2){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	108.0030	0.000	1	108.0030	0.000	1	108.0030	0.000	1	108.0030	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	2:3:3:1:	4:3:4:	C[5,6]-4:C[5]-3:H-1:	O[5,6]-2:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C)(H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]H)(C[6]C[6]O)(H)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(CHHO)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C)(H){1|C<4>,1|O<1>,2|C<3>}	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[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(CHHO){1|Br<1>,1|H<1>,2|C<3>}	107.8320	0.000	1	107.8320	0.000	1	107.8320	0.000	1	107.8320	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	2:4:2:3:	3:3:1:	C[5,6]-4:C[5]-3:H-1:	O[6]-2:C[5]-4:O[6]-2:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[5]O[6]2)(C[5]C[5]H)(H)	C[5,6](O[6]C[5,6,6])(C[5]C[5]HH)(O[6]C[6,6])(C[5]C[5]H)	C[5](C[5]C[5,6]H)(C[5]C[5]H)(H)	C[5](C[5,6]C[5]O[6]2)(C[5]C[5]H)(H){2|C<4>,3|H<1>}	C[5,6](O[6]C[5,6,6])(C[5]C[5]HH)(O[6]C[6,6])(C[5]C[5]H){3|C<4>,4|H<1>}	C[5](C[5]C[5,6]H)(C[5]C[5]H)(H){2|H<1>,2|O<2>}	105.1140	0.000	1	105.1140	0.000	1	105.1140	0.000	1	105.1140	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	2:4:3:1:	4:3:1:	C[5,6]-4:C[5]-3:Br-1:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(Br)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]Br)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]Br)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(Br){1|C<3>,1|C<4>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]Br)(H){1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]Br)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	109.1060	0.000	1	109.1060	0.000	1	109.1060	0.000	1	107.9767	0.302	11	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	2:4:3:1:	4:3:1:	C[5,6]-4:C[5]-3:H-1:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5]-3:H-1:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,5,6]H)(H)	C[5,6](O[5,6]C[5,5,6])(C[6]C[6]HH)(C[5]C[5]H)(H)	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5,6]H)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,5,6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6](O[5,6]C[5,5,6])(C[6]C[6]HH)(C[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<4>}	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5,6]H)(H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	107.7150	0.571	4	107.7150	0.326	4	107.7150	0.326	4	107.9767	0.302	11	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	2:4:3:1:	4:3:1:	C[5,6]-4:C[5]-3:H-1:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5]-3:H-1:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6,6]H)(H)	C[5,6](O[5,6]C[5,6,6])(C[6]C[6]HH)(C[5]C[5]H)(H)	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]H)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6,6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6](O[5,6]C[5,6,6])(C[6]C[6]HH)(C[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<4>}	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]H)(H){1|C<3>,3|H<1>,4|C<4>}	107.9940	0.218	2	107.9940	0.047	2	107.9940	0.047	2	107.9767	0.302	11	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	2:4:3:1:	4:3:1:	C[5,6]-4:C[5]-3:H-1:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(C[5]C[5]H)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(C[5]C[5]H)(H){1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(H){1|C<3>,1|C<4>,3|H<1>}	108.3180	0.000	1	108.3180	0.000	1	107.9475	0.146	4	107.9767	0.302	11	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	2:4:3:1:	4:3:1:	C[5,6]-4:C[5]-3:H-1:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]H)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(H){1|C<3>,1|C<4>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]H)(H){1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(H){1|C<3>,2|C<4>,2|H<1>}	108.2270	0.000	1	108.2270	0.000	1	107.9475	0.146	4	107.9767	0.302	11	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	2:4:3:1:	4:3:1:	C[5,6]-4:C[5]-3:H-1:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(C[5]C[5]H)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(H){1|O<2>,2|C<4>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(C[5]C[5]H)(H){1|Cl<1>,1|C<4>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(H){1|O<2>,2|C<4>,2|H<1>}	107.5480	0.000	1	107.6225	0.011	2	107.9475	0.146	4	107.9767	0.302	11	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	2:4:3:1:	4:3:1:	C[5,6]-4:C[5]-3:H-1:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(C[5]C[5]H)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(H){1|O<2>,2|C<4>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(C[5]C[5]H)(H){2|C<4>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(H){1|O<2>,2|C<4>,2|H<1>}	107.6970	0.000	1	107.6225	0.011	2	107.9475	0.146	4	107.9767	0.302	11	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	2:4:3:1:	4:3:3:	C[5,6]-4:C[5]-3:H-1:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C)(H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(C[5]C[5]H)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(CC[6a]O)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C)(H){1|O<2>,2|C<3>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(C[5]C[5]H)(H){2|C<3>,2|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(CC[6a]O){1|C<3>,1|C<4>,2|H<1>}	107.6830	0.000	1	107.6830	0.000	1	107.6830	0.000	1	108.4405	1.148	2	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	2:4:3:1:	4:3:3:	C[5,6]-4:C[5]-3:H-1:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6a])(H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(C[5]C[5]H)(H)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6a])(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(C[5]C[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	109.1980	0.000	1	109.1980	0.000	1	109.1980	0.000	1	108.4405	1.148	2	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	2:4:3:1:	4:3:4:	C[5,6]-4:C[5]-3:H-1:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C)(H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]H)(H)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(CH3)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]H)(H){1|O<1>,3|C<4>}	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(CH3){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	109.0630	0.000	1	109.5250	0.427	2	109.2063	0.518	3	109.2063	0.518	3	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	2:4:3:1:	4:3:4:	C[5,6]-4:C[5]-3:H-1:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C)(H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]H)(H)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(CH3)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]H)(H){1|C<3>,1|O<1>,2|C<4>}	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(CH3){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	109.9870	0.000	1	109.5250	0.427	2	109.2063	0.518	3	109.2063	0.518	3	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	2:4:3:1:	4:3:4:	C[5,6]-4:C[5]-3:H-1:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C)(H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]H)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(CCHH)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C)(H){1|C<3>,1|C<4>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<4>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(CCHH){1|C<3>,2|C<4>,2|H<1>}	108.5690	0.000	1	108.5690	0.000	1	109.2063	0.518	3	109.2063	0.518	3	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	3:2:2:2:	4:3:3:	C[5,6]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:S[6]-2:S[6]-2:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6]O[5]S[6]2)(C[5]C[6a]C[5])(H)	C[5,6](C[5]C[5]H)(O[5]C[5])(S[6]C[6])2	C[5](C[5]C[6a]O[5]H)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[5](C[5,6]O[5]S[6]2)(C[5]C[6a]C[5])(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6](C[5]C[5]H)(O[5]C[5])(S[6]C[6])2{1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5,6]H)(C[6a]C[6a]2){2|H<1>,2|S<2>,4|C<3>}	111.0630	0.000	1	111.0630	0.000	1	111.0630	0.000	1	111.0630	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	3:2:3:4:	4:3:3:	C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:O[5,6]-2:C[5]-3:C-4:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5](C[5,6]C[6,6a]O[5,6]C)(C[5]C[5,6]C[6a])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]H)(CH3)	C[5](C[5,6]O[5,6]C[6a]C[6])(C[5]C[5,6]H)(C[6a]C[6a]2)	C[5](C[5,6]C[6,6a]O[5,6]C)(C[5]C[5,6]C[6a])(H){1|C<4>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5,6]O[5,6]C[6a]C[6])(C[5]C[5,6]H)(C[6a]C[6a]2){2|Cl<1>,1|C<4>,2|H<1>,6|C<3>}	109.9360	0.242	2	109.9360	0.058	2	109.9360	0.058	2	109.9360	0.058	2	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	3:3:2:2:	3:4:1:	C[5,6]-4:C[5]-3:I-1:	C[6,6a]-3:C[5]-3:O[5]-2:O[6]-2:	C[5]-3:C[5]-4:Cl-1:	C[5](C[5,6]C[6,6a]O[5]O[6])(C[5]C[5]Cl)(I)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]I)(O[5]C[5])(O[6]C[6])	C[5](C[5]C[5,6]I)(C[5]O[5]CC)(Cl)	C[5](C[5,6]C[6,6a]O[5]O[6])(C[5]C[5]Cl)(I){2|C<4>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]I)(O[5]C[5])(O[6]C[6]){1|Cl<1>,1|H<1>,2|C<4>,4|C<3>}	C[5](C[5]C[5,6]I)(C[5]O[5]CC)(Cl){1|C<3>,1|O<2>}	109.2070	0.000	1	109.2070	0.000	1	109.2070	0.000	1	109.3555	0.044	2	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	3:3:2:2:	3:4:1:	C[5,6]-4:C[5]-3:I-1:	C[6,6a]-3:C[5]-3:O[5]-2:O[6]-2:	C[5]-3:C[5]-4:I-1:	C[5](C[5,6]C[6,6a]O[5]O[6])(C[5]C[5]I)(I)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]I)(O[5]C[5])(O[6]C[6])	C[5](C[5]C[5,6]I)(C[5]O[5]CC)(I)	C[5](C[5,6]C[6,6a]O[5]O[6])(C[5]C[5]I)(I){2|C<4>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]I)(O[5]C[5])(O[6]C[6]){1|H<1>,1|I<1>,2|C<4>,4|C<3>}	C[5](C[5]C[5,6]I)(C[5]O[5]CC)(I){1|C<3>,1|O<2>}	109.5040	0.000	1	109.5040	0.000	1	109.5040	0.000	1	109.3555	0.044	2	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	3:3:2:2:	4:3:3:	C[5,6]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:S[6]-2:S[6]-2:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6]N[5]S[6]2)(C[5]C[6a]C[5])(H)	C[5,6](C[5]C[5]H)(N[5]C[5]H)(S[6]C[6])2	C[5](C[5]C[6a]N[5]H)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[5](C[5,6]N[5]S[6]2)(C[5]C[6a]C[5])(H){2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5]C[5]H)(N[5]C[5]H)(S[6]C[6])2{1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5,6]H)(C[6a]C[6a]2){2|S<2>,3|H<1>,4|C<3>}	110.7480	0.000	1	110.7480	0.000	1	110.7480	0.000	1	110.7480	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	3:3:2:4:	3:3:3:	C[5,6]-4:C[5]-3:O-1:	N[5,6]-3:C[5]-3:O[6]-2:C-4:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]N[5,6]O[6]C)(C[5]C[6a]C[5])(O)	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]O)(O[6]C[6])(CCHH)	C[5](C[5]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]2)	C[5](C[5,6]N[5,6]O[6]C)(C[5]C[6a]C[5])(O){5|C<3>}	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]O)(O[6]C[6])(CCHH){1|O<1>,4|C<3>}	C[5](C[5]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]2){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	106.9350	0.000	1	106.9350	0.000	1	106.9350	0.000	1	106.9350	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	3:3:3:1:	4:3:4:	C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]C)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]H)(H)	C[5](C[5]N[5,6]CC)(C[5]C[5,6]H)(CCHH)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]C)(H){1|C<4>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]H)(H){2|C<4>,3|H<1>,4|C<3>}	C[5](C[5]N[5,6]CC)(C[5]C[5,6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	112.5540	0.000	1	112.5540	0.000	1	112.5540	0.000	1	112.5540	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	3:3:3:2:	3:4:1:	C[5,6]-4:C[5]-3:H-1:	N[6]-3:C[6]-3:C[5]-3:O[5]-2:	C[5]-3:C[5]-4:H-1:	C[5](C[5,6]C[6]N[6]O[5])(C[5]C[5]H)(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])	C[5](C[5]C[5,6]H)(C[5]O[5]CH)(H)	C[5](C[5,6]C[6]N[6]O[5])(C[5]C[5]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	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[5](C[5]C[5,6]H)(C[5]O[5]CH)(H){1|C<3>,1|N<3>}	108.8730	0.410	5	108.8730	0.168	5	108.8730	0.168	5	108.8730	0.168	5	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	3:3:3:2:	4:3:1:	C[5,6]-4:C[5]-3:H-1:	N[6]-3:C[6]-3:C[5]-3:O[5]-2:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6]C[6]N[6]O[5])(C[5]C[5]H)(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])	C[5](C[5]C[6]O[5]H)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[6]N[6]O[5])(C[5]C[5]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	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[5](C[5]C[6]O[5]H)(C[5]C[5,6]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	108.4710	0.074	2	108.4710	0.005	2	108.4710	0.005	2	108.4710	0.005	2	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	3:3:3:3:	3:3:1:	C[5,6]-4:C[5]-3:H-1:	C[5,6a]-3:N[5a,6]-3:C[5,6]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	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)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]H)(H)	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>}	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>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]H)(H){1|H<1>,1|N<3>,3|C<3>}	110.2480	0.085	2	110.2480	0.007	2	110.2480	0.007	2	109.6150	2.577	7	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	3:3:3:3:	3:3:1:	C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(H)	C[5,6](C[5]C[5]H)(C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]C)	C[5](C[5]C[5,6]H)(C[5]N[5]O)(H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<1>}	C[5,6](C[5]C[5]H)(C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]C){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6]H)(C[5]N[5]O)(H){1|C<4>,2|C<3>}	110.5887	0.256	3	110.5887	0.065	3	110.5887	0.065	3	109.6150	2.577	7	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	3:3:3:3:	3:3:1:	C[5,6]-4:C[5]-3:O-1:	C[5,6a]-3:N[6]-3:N[6]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5,6]C[5,6a]N[6]2)(C[5]C[5,6a]O)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6a]C)2(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(O)	C[5](C[5,6]C[5,6a]N[6]2)(C[5]C[5,6a]O)(O){2|C<4>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6a]C)2(C[5]C[5]O){1|H<1>,1|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(O){1|H<1>,2|C<3>,2|N<3>}	108.7280	0.000	1	108.7280	0.000	1	108.7280	0.000	1	109.6150	2.577	7	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	3:3:3:3:	3:3:1:	C[5,6]-4:C[5]-3:O-1:	C[6a]-3:N[5,6]-3:C[5]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5]C[5]H)(O)	C[5,6](C[6a]C[6a]N[6a])(N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]H)	C[5](C[5]N[5,6]C[6a])(C[5]C[5,6]O)(H)	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5]C[5]H)(O){1|H<1>,1|N<2>,4|C<3>}	C[5,6](C[6a]C[6a]N[6a])(N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]H){4|C<3>,4|H<1>}	C[5](C[5]N[5,6]C[6a])(C[5]C[5,6]O)(H){5|C<3>}	106.3150	0.000	1	106.3150	0.000	1	106.3150	0.000	1	109.6150	2.577	7	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	3:3:3:3:	3:3:3:	C[5,6]-4:C[5]-3:O-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[6,6a]N[5,6]C[6a])(C[5]C[6a]C[5])(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5]C[5,6]O)(C[5]N[5,6]C)(C[6a]C[6a]2)	C[5](C[5,6]C[6,6a]N[5,6]C[6a])(C[5]C[6a]C[5])(O){1|C<4>,7|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,5|H<1>,6|C<3>}	C[5](C[5]C[5,6]O)(C[5]N[5,6]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	107.1960	0.000	1	107.1960	0.000	1	107.1960	0.000	1	107.1960	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	3:3:4:3:	3:3:1:	C[5,6]-4:C[5]-3:O-1:	N[5,6]-3:C[6a]-3:C[6]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5]C[5]H)(O)	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]C[5]O)	C[5](C[5]N[5,6]C[6a])(C[5]C[5,6]O)(H)	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5]C[5]H)(O){1|C<4>,2|H<1>,4|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]C[5]O){4|C<3>,6|H<1>}	C[5](C[5]N[5,6]C[6a])(C[5]C[5,6]O)(H){1|C<4>,4|C<3>}	106.3010	0.000	1	106.3010	0.000	1	106.3010	0.000	1	106.3010	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	3:3:4:3:	3:3:3:	C[5,6]-4:C[5]-3:H-1:	C[5,6a]-3:C[6,6a]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]2)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a])(H){1|C<4>,2|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]H){1|C<4>,2|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	112.6540	0.000	1	112.6095	0.004	2	112.6095	0.004	2	112.6095	0.004	2	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	3:3:4:3:	3:3:3:	C[5,6]-4:C[5]-3:H-1:	C[5,6a]-3:C[6,6a]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]2)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a])(H){1|C<4>,2|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]H){1|N<3>,4|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	112.5650	0.000	1	112.6095	0.004	2	112.6095	0.004	2	112.6095	0.004	2	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	3:4:3:1:	3:3:1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-3:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6a]N[6]H)(C[5]C[5]H)(H)	C[5](C[5]C[5,6]H)2(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6a]N[6]H)(C[5]C[5]H)(H){2|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6]H)2(H){1|H<1>,2|C<4>}	108.9900	0.000	1	108.9900	0.000	1	108.9900	0.000	1	108.9900	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	3:4:3:1:	3:3:4:	C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	N[5,6]-3:C[5]-3:C-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5,6]C)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]HH)(C[5]C[5]H)(H)	C[5](N[5,6]C[5,6]S[6])(C[5]C[5,6]H)(CHHO)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5,6]C)(H){1|S<4>,2|C<3>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]HH)(C[5]C[5]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5](N[5,6]C[5,6]S[6])(C[5]C[5,6]H)(CHHO){2|C<3>,2|O<1>,3|H<1>}	108.8340	0.000	1	108.8340	0.000	1	108.8340	0.000	1	108.8340	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	3:4:3:1:	4:3:1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-3:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(H)	C[5,6](C[5,6]C[5,6]C)(C[6]C[5,6]CC)(C[5]C[5]H)(H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6](C[5,6]C[5,6]C)(C[6]C[5,6]CC)(C[5]C[5]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6]H)(H){2|C<3>,2|C<4>,2|H<1>}	110.3310	0.000	1	110.3310	0.000	1	110.3310	0.000	1	110.7218	3.742	15	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	3:4:3:1:	4:3:1:	C[5,6]-4:C[5]-3:H-1:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5,6]H)(H)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]HH)(C[5]C[5]H)(H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5,6]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]HH)(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6]H)(H){3|H<1>,4|C<3>}	109.0780	0.000	1	109.0780	0.000	1	111.2585	9.509	2	110.7218	3.742	15	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	3:4:3:1:	4:3:1:	C[5,6]-4:C[5]-3:H-1:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5,6]H)(H)	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]HH)(C[5]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5,6]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]HH)(C[5]C[5]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(H){1|C<4>,2|C<3>,4|H<1>}	113.4390	0.000	1	113.4390	0.000	1	111.2585	9.509	2	110.7218	3.742	15	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	3:4:3:1:	4:3:1:	C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)(H){1|N<3>,3|C<3>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	112.1993	0.481	7	112.1993	0.232	7	112.1993	0.232	7	110.7218	3.742	15	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	3:4:3:1:	4:3:1:	C[5,6]-4:C[5]-3:H-1:	N[5,6]-3:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]H)(H)	C[5,6](N[5,6]C[5,6]C)(C[6]C[6]HH)(C[5]C[5]H)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]H)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]H)(H){3|C<4>,3|H<1>}	C[5,6](N[5,6]C[5,6]C)(C[6]C[6]HH)(C[5]C[5]H)(H){1|C<4>,1|O<2>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]H)(H){1|N<3>,2|H<1>,3|C<4>}	108.8350	0.429	3	108.8350	0.184	3	108.5168	0.291	5	110.7218	3.742	15	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	3:4:3:1:	4:3:1:	C[5,6]-4:C[5]-3:H-1:	N[5,6]-3:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]H)(H)	C[5,6](N[5,6]C[5,6]C)(C[6]O[6]HH)(C[5]C[5]H)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]H)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]H)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,6](N[5,6]C[5,6]C)(C[6]O[6]HH)(C[5]C[5]H)(H){1|C<4>,2|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]H)(H){1|O<2>,2|C<4>,3|H<1>}	108.0395	0.189	2	108.0395	0.036	2	108.5168	0.291	5	110.7218	3.742	15	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	3:4:3:1:	4:3:4:	C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]C)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]H)(CH3)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]C)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]C[5]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]H)(CH3){1|O<2>,2|C<3>,4|H<1>}	111.1900	0.000	1	111.1900	0.000	1	111.1900	0.000	1	111.1900	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	3:4:3:2:	3:3:4:	C[5,6]-4:C[5]-3:H-1:	C[6]-3:C[6]-4:C[5]-3:O[5]-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(H)	C[5,6](C[6]C[6,6a]O)(C[6]C[6]HH)(C[5]C[5]H)(O[5]C[5])	C[5](C[5]C[5,6]H)(C[5]O[5]O)(CH3)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(H){2|C<3>,2|H<1>,2|O<1>}	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[5](C[5]C[5,6]H)(C[5]O[5]O)(CH3){1|C<3>,1|C<4>}	110.2810	0.000	1	110.2810	0.000	1	110.2810	0.000	1	110.2810	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	3:4:3:2:	3:4:1:	C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[6]-4:C[5]-3:O[5]-2:	C[5]-3:C[5]-4:H-1:	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(C[5]C[5]H)(O[5]C[5])	C[5](C[5]C[5,6]H)(C[5]O[5]HN)(H)	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(C[5]C[5]H)(O[5]C[5]){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[5](C[5]C[5,6]H)(C[5]O[5]HN)(H){1|C<3>,1|C<4>}	109.3570	0.000	1	109.3570	0.000	1	109.3570	0.000	1	109.3570	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	3:4:3:4:	3:3:1:	C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:C-4:	N[5,6]-3:C[5]-3:H-1:	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5]N[5,6]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]HH)(C[5]C[5]H)(CH3)	C[5](N[5,6]C[5,6]S[6])(C[5]C[5,6]H)(H)	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5]N[5,6]H)(H){1|S<4>,2|C<3>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]HH)(C[5]C[5]H)(CH3){1|S<4>,2|C<3>,2|H<1>}	C[5](N[5,6]C[5,6]S[6])(C[5]C[5,6]H)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	109.4205	0.398	2	109.4205	0.158	2	109.4205	0.158	2	109.4205	0.158	2	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	3:4:3:4:	3:3:3:	C[5,6]-4:C[5]-3:H-1:	C[5,6,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6]-3:C[5]-3:C[5a]-3:	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]C[5a])(H)	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[6]C[6]CH)(C[5]C[5]H)(CH3)	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]H)(C[5a]C[5a]2)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]C[5a])(H){1|H<1>,3|C<3>,3|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[6]C[6]CH)(C[5]C[5]H)(CH3){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]H)(C[5a]C[5a]2){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	112.5090	0.000	1	112.5090	0.000	1	112.5090	0.000	1	112.5090	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	3:4:3:4:	4:3:3:	C[5,6]-4:C[5]-3:H-1:	C[6,6]-3:C[5,6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[6a]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]O[6]C)(C[5]C[5]H)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[6a]C[5])(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]O[6]C)(C[5]C[5]H)(CH3){1|N<2>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	112.4170	0.000	1	112.4170	0.000	1	112.4170	0.000	1	113.4770	2.247	2	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	3:4:3:4:	4:3:3:	C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[6a]C[5])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]C)(C[5]C[5]H)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[6a]C[5])(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]C)(C[5]C[5]H)(CH3){1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	114.5370	0.000	1	114.5370	0.000	1	114.5370	0.000	1	113.4770	2.247	2	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	3:4:3:4:	4:3:4:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CH)(C[5]C[5]H)(CH3)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(CH3)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CH)(C[5]C[5]H)(CH3){2|H<1>,5|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(CH3){1|C<3>,2|C<4>}	113.6760	0.099	4	113.6760	0.010	4	113.6760	0.010	4	113.6760	0.010	4	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	3:4:4:3:	3:3:1:	C[5,6]-4:C[5]-3:H-1:	C[6]-3:C[5]-4:C[6]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(H)	C[5,6](C[6]C[6,6]C)(C[5]C[5]CC)(C[6]C[6]HH)(C[5]C[5]H)	C[5](C[5]C[5,6]H)(C[5]C[5]O)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[5,6](C[6]C[6,6]C)(C[5]C[5]CC)(C[6]C[6]HH)(C[5]C[5]H){1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]H)(C[5]C[5]O)(H){1|C<3>,3|C<4>}	113.6590	0.000	1	113.6590	0.000	1	113.6590	0.000	1	110.9695	14.467	2	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	3:4:4:3:	3:3:1:	C[5,6]-4:C[5]-3:O-1:	C[6]-3:C[5]-4:C[6]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(O)	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]O)	C[5](C[5]C[5,6]O)(C[5]C[5]O)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]O){1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]O)(C[5]C[5]O)(H){1|C<3>,1|C<4>,2|H<1>}	108.2800	0.000	1	108.2800	0.000	1	108.2800	0.000	1	110.9695	14.467	2	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	3:4:4:3:	3:3:3:	C[5,6]-4:C[5]-3:H-1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]C[6a])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2(C[5]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6]H)	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]C[6a])(H){2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2(C[5]C[5]H){1|C<4>,3|C<3>,5|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6]H){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	112.6650	0.000	1	112.6650	0.000	1	112.6650	0.000	1	112.6650	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,6]-4:C[5]-3:H-1:	C[5,6a]-3:B[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]B[6]C[6])(C[5]C[5,6a]C)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(B[6]C[6a]2O[6])(C[6]C[6a]C[6]H)(C[5]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]H)(CCCH)	C[5](C[5,6]C[5,6a]B[6]C[6])(C[5]C[5,6a]C)(H){1|H<1>,1|O<3>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(B[6]C[6a]2O[6])(C[6]C[6a]C[6]H)(C[5]C[5]H){1|Li<3>,1|C<4>,2|H<1>,9|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]H)(CCCH){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	112.8710	0.247	2	112.8710	0.061	2	112.8710	0.061	2	112.8710	0.061	2	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	3:4:4:3:	3:4:1:	C[5,6]-4:C[5]-3:H-1:	C[6]-3:C[5]-4:C[6]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(H)	C[5,6](C[6]C[6,6a]C)(C[5]C[5]HH)(C[6]N[6]HH)(C[5]C[5]H)	C[5](C[5]C[5,6]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(H){1|N<3>,2|C<3>,6|H<1>}	C[5,6](C[6]C[6,6a]C)(C[5]C[5]HH)(C[6]N[6]HH)(C[5]C[5]H){1|S<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]H)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,2|H<1>}	110.5480	0.000	1	110.5480	0.000	1	110.5480	0.000	1	110.5480	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:2:3:1:	3:2:4:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:O[6]-2:C[5]-3:H-1:	C[5]-3:O[5]-2:C-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]C)(H)	C[5,6](C[5,6]C[6]O[5]C)(O[6]C[6,6a])(C[5]C[5]H)(H)	C[5](C[5]C[5,6]H)(O[5]C[5,6])(CCHH)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]C)(H){1|C<3>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]C)(O[6]C[6,6a])(C[5]C[5]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[5,6]H)(O[5]C[5,6])(CCHH){1|H<1>,1|O<2>,2|C<4>}	110.2360	0.000	1	110.2360	0.000	1	110.2360	0.000	1	110.2360	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:2:3:1:	3:3:1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:O[6]-2:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]C[5]H)(H)	C[5](C[5]C[5,6]C)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]C[5]H)(H){2|H<1>,4|C<3>}	C[5](C[5]C[5,6]C)(C[5]C[5,6]H)(H){1|C<4>,1|O<2>,2|H<1>}	111.6390	0.496	3	111.6170	0.166	4	111.6170	0.166	4	111.6170	0.166	4	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:2:3:1:	3:3:1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:O[6]-2:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]C[5]H)(H)	C[5](C[5]C[5,6]C)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]C[5]H)(H){3|C<3>,3|H<1>}	C[5](C[5]C[5,6]C)(C[5]C[5,6]H)(H){1|C<4>,1|O<2>,2|H<1>}	111.5510	0.000	1	111.6170	0.166	4	111.6170	0.166	4	111.6170	0.166	4	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:2:3:1:	4:3:1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:O[5,6]-2:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6]H)(H)	C[5,6](C[5,6]C[5,6]C[5]C)(O[5,6]C[5,6])(C[5]C[5]H)(H)	C[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5]C)(O[5,6]C[5,6])(C[5]C[5]H)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6]H)(H){1|C<3>,1|H<1>,3|C<4>}	106.8567	0.468	3	107.0050	0.234	4	107.2464	0.211	8	107.3586	0.191	12	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:2:3:1:	4:3:1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:O[5,6]-2:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6]H)(H)	C[5,6](C[5,6]C[5,6]C[5]C)(O[5,6]C[5,6])(C[5]C[5]H)(H)	C[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5]C)(O[5,6]C[5,6])(C[5]C[5]H)(H){1|O<1>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6]H)(H){1|C<3>,1|H<1>,3|C<4>}	107.4500	0.000	1	107.0050	0.234	4	107.2464	0.211	8	107.3586	0.191	12	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:2:3:1:	4:3:1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:O[5,6]-2:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6]H)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(H)	C[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(H){1|O<1>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6]H)(H){1|C<3>,2|C<4>,2|H<1>}	107.2800	0.072	2	107.2800	0.005	2	107.2464	0.211	8	107.3586	0.191	12	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:2:3:1:	4:3:1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:O[5,6]-2:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6]H)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(H)	C[5](C[5,6]C[5,6]O[5,6]Se)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6]H)(H){1|Se<2>,1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(H){1|Se<2>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]O[5,6]Se)(C[5]C[5,6]H)(H){1|C<3>,2|C<4>,2|H<1>}	107.9500	0.000	1	107.9500	0.000	1	107.2464	0.211	8	107.3586	0.191	12	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:2:3:1:	4:3:1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:O[5,6]-2:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6]H)(H)	C[5,6](C[5,6]C[5,6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6]H)(H){1|N<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(H){2|C<4>,3|H<1>}	107.4410	0.000	1	107.4410	0.000	1	107.2464	0.211	8	107.3586	0.191	12	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:2:3:1:	4:3:1:	C[5,6]-4:C[5]-3:H-1:	C[6,6]-4:O[5,6]-2:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]C[6,6]O[5,6]H)(C[5]C[5,6]H)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[5]C[5]H)(H)	C[5](C[5,6]C[6,6]O[5,6]H)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[6,6]O[5,6]H)(C[5]C[5,6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[5]C[5]H)(H){1|O<1>,2|C<4>,4|H<1>}	C[5](C[5,6]C[6,6]O[5,6]H)(C[5]C[5,6]H)(H){1|C<3>,2|C<4>,2|H<1>}	107.5015	0.124	2	107.5015	0.015	2	107.5015	0.015	2	107.3586	0.191	12	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:2:3:1:	4:3:1:	C[5,6]-4:C[5]-3:H-1:	C[6]-4:O[5,6]-2:C[5]-3:H-1:	C[5,6]-4:C[5]-3:Br-1:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]Br)(H)	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(Br)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]Br)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(H){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(Br){1|C<3>,1|C<4>,3|H<1>}	107.2860	0.000	1	107.2860	0.000	1	107.2860	0.000	1	107.3586	0.191	12	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:2:3:1:	4:3:1:	C[5,6]-4:C[5]-3:H-1:	C[6]-4:O[5,6]-2:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(H)	C[5,6](C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]H)(H)	C[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6]H)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(H){2|C<4>,3|H<1>}	C[5,6](C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6]H)(H){1|N<3>,2|C<4>,2|H<1>}	108.0430	0.000	1	108.0430	0.000	1	108.0430	0.000	1	107.3586	0.191	12	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:2:3:1:	4:3:3:	C[5,6]-4:C[5]-3:H-1:	C[6]-4:O[5,6]-2:C[5]-3:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C)(H)	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(COO)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(COO){1|C<3>,1|C<4>,3|H<1>}	108.4670	0.000	1	108.4670	0.000	1	108.4670	0.000	1	108.4670	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:2:3:1:	4:3:4:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:O[5,6]-2:C[5]-3:H-1:	C[5,6,6]-4:C[5]-3:C-4:	C[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6,6]C)(H)	C[5,6](C[5,6]C[5,6]C[5]C)(O[5,6]C[5,6,6])(C[5]C[5]H)(H)	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]H)(CH3)	C[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6,6]C)(H){1|C<3>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[5]C)(O[5,6]C[5,6,6])(C[5]C[5]H)(H){1|C<3>,2|H<1>,5|C<4>}	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]H)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	109.3040	0.000	1	109.3040	0.000	1	109.3040	0.000	1	109.1055	0.079	2	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:2:3:1:	4:3:4:	C[5,6]-4:C[5]-3:H-1:	C[6]-4:O[5,6]-2:C[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C)(H)	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(H)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(CH3)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(H){1|C<3>,1|O<1>,4|C<4>}	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(CH3){1|C<3>,1|C<4>,3|H<1>}	108.9070	0.000	1	108.9070	0.000	1	108.9070	0.000	1	109.1055	0.079	2	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:2:3:2:	3:3:4:	C[5,6]-4:C[5]-3:H-1:	C[6]-4:O[6]-2:C[5]-3:O[5]-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]C)(H)	C[5,6](C[6]C[6]HH)(O[6]C[5,6])(C[5]C[5]H)(O[5]C[5])	C[5](C[5]C[5,6]H)(C[5]O[5]O)(CH3)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]C)(H){1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[6]C[6]HH)(O[6]C[5,6])(C[5]C[5]H)(O[5]C[5]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6]H)(C[5]O[5]O)(CH3){1|C<4>,1|O<2>}	111.1045	0.004	2	111.2333	0.050	3	111.2333	0.050	3	111.2333	0.050	3	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:2:3:2:	3:3:4:	C[5,6]-4:C[5]-3:H-1:	C[6]-4:O[6]-2:C[5]-3:O[5]-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]C)(H)	C[5,6](C[6]C[6]HH)(O[6]C[5,6])(C[5]C[5]H)(O[5]C[5])	C[5](C[5]C[5,6]H)(C[5]O[5]O)(CH3)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]C)(H){1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[6]C[6]HH)(O[6]C[5,6])(C[5]C[5]H)(O[5]C[5]){1|O<1>,2|H<1>,4|C<4>}	C[5](C[5]C[5,6]H)(C[5]O[5]O)(CH3){1|C<4>,1|O<2>}	111.4910	0.000	1	111.2333	0.050	3	111.2333	0.050	3	111.2333	0.050	3	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:2:3:2:	3:4:3:	C[5,6]-4:C[5]-3:O-1:	C[5,6]-4:O[6]-2:C[5]-3:O[5]-2:	C[5]-3:C[5]-4:C-3:	C[5](C[5,6]C[5,6]O[5]O[6])(C[5]C[5]C)(O)	C[5,6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(C[5]C[5]O)(O[5]C[5])	C[5](C[5]C[5,6]O)(C[5]O[5]CC)(CCH)	C[5](C[5,6]C[5,6]O[5]O[6])(C[5]C[5]C)(O){1|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(C[5]C[5]O)(O[5]C[5]){2|C<3>,2|H<1>,7|C<4>}	C[5](C[5]C[5,6]O)(C[5]O[5]CC)(CCH){1|C<4>,1|O<2>}	106.2560	0.000	1	106.2560	0.000	1	106.2560	0.000	1	106.2560	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:2:3:2:	4:3:1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:O[5,6]-2:C[5]-3:Se-2:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]O[5,6]Se)(C[5]C[5,6]H)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(SeC[6a])	C[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]O[5,6]Se)(C[5]C[5,6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(SeC[6a]){1|O<1>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6]H)(H){1|Se<2>,1|C<3>,1|H<1>,2|C<4>}	106.9660	0.000	1	106.9660	0.000	1	106.9660	0.000	1	106.9660	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:2:3:2:	4:3:3:	C[5,6]-4:C[5]-3:H-1:	C[6,6]-4:O[5,6]-2:C[5]-3:O-2:	C[5,6]-4:C[5]-3:C-3:	C[5](C[5,6]C[6,6]O[5,6]O)(C[5]C[5,6]C)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(O[5,6]C[5,6])(C[5]C[5]H)(OH)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(COO)	C[5](C[5,6]C[6,6]O[5,6]O)(C[5]C[5,6]C)(H){1|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(O[5,6]C[5,6])(C[5]C[5]H)(OH){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(COO){1|O<2>,2|C<4>,2|H<1>}	108.7870	0.000	1	108.7870	0.000	1	108.7870	0.000	1	108.7870	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:2:3:4:	4:3:1:	C[5,6]-4:C[5]-3:H-1:	C[6,6]-4:O[5,6]-2:C[5]-3:C-4:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]C[6,6]O[5,6]C)(C[5]C[5,6]H)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[5]C[5]H)(CH3)	C[5](C[5,6]C[6,6]O[5,6]C)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[6,6]O[5,6]C)(C[5]C[5,6]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[5]C[5]H)(CH3){1|O<1>,3|C<4>,3|H<1>}	C[5](C[5,6]C[6,6]O[5,6]C)(C[5]C[5,6]H)(H){1|C<3>,1|H<1>,3|C<4>}	108.0620	0.062	2	108.0620	0.004	2	108.0620	0.004	2	108.0620	0.004	2	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:3:2:1:	4:3:1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:O[6]-2:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5,6]H)(H)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]H)(O[6]N[6])(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5,6]H)(H){1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]H)(O[6]N[6])(H){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	108.7210	0.000	1	108.7210	0.000	1	108.7210	0.000	1	108.7210	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:3:2:2:	3:3:1:	C[5,6]-4:C[5]-3:H-1:	C[6]-4:C[5]-3:O[5]-2:O[6]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]H)(H)	C[5,6](C[6]C[6]HH)(C[5]C[5]H)(O[5]C[5])(O[6]C[6])	C[5](C[5]C[5,6]H)(C[5]O[5]O)(H)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]H)(H){1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[6]C[6]HH)(C[5]C[5]H)(O[5]C[5])(O[6]C[6]){1|C<4>,1|O<1>,5|H<1>}	C[5](C[5]C[5,6]H)(C[5]O[5]O)(H){1|C<4>,1|O<2>}	110.5180	0.100	2	110.5180	0.010	2	110.5180	0.010	2	110.5180	0.010	2	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:3:2:2:	3:3:3:	C[5,6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:S[6]-2:S[6]-2:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5,6]C[5]S[6]2)(C[5]C[6a]C[5])(H)	C[5,6](C[5]C[6a]C[5]O)(C[5]C[5]H)(S[6]C[6])2	C[5](C[5]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5,6]C[5]S[6]2)(C[5]C[6a]C[5])(H){1|O<2>,2|C<4>,4|C<3>}	C[5,6](C[5]C[6a]C[5]O)(C[5]C[5]H)(S[6]C[6])2{1|C<4>,4|C<3>,4|H<1>}	C[5](C[5]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]C){1|O<2>,2|H<1>,2|S<2>,3|C<3>}	113.1140	0.000	1	113.1140	0.000	1	113.1140	0.000	1	113.1140	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:3:2:2:	4:3:3:	C[5,6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:S[6]-2:S[6]-2:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5]S[6]2)(C[5]C[6a]C[5])(H)	C[5,6](C[5]C[5]CH)(C[5]C[5]H)(S[6]C[6])2	C[5](C[5]C[6a]C[5]H)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[5](C[5,6]C[5]S[6]2)(C[5]C[6a]C[5])(H){2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5]C[5]CH)(C[5]C[5]H)(S[6]C[6])2{1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5,6]H)(C[6a]C[6a]2){2|S<2>,3|H<1>,5|C<3>}	113.6650	0.000	1	113.6650	0.000	1	113.6650	0.000	1	113.6650	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:3:2:3:	3:3:2:	C[5,6]-4:C[5]-3:O-1:	C[5,6]-4:C[5,6]-3:O[6]-2:C[5]-3:	C-3:C[5]-3:N[5]-2:	C[5](C[5,6]C[5,6]2O[6])(C[5]N[5]C)(O)	C[5,6](C[5,6]C[5,6]C[5]O[6])(C[5,6]C[6]N[5])(O[6]C[6,6a])(C[5]C[5]O)	C[5](CC[5a]C[6a])(C[5]C[5,6]O)(N[5]C[5,6])	C[5](C[5,6]C[5,6]2O[6])(C[5]N[5]C)(O){1|O<2>,4|C<3>}	C[5,6](C[5,6]C[5,6]C[5]O[6])(C[5,6]C[6]N[5])(O[6]C[6,6a])(C[5]C[5]O){1|N<2>,1|O<1>,7|C<3>}	C[5](CC[5a]C[6a])(C[5]C[5,6]O)(N[5]C[5,6]){1|C<3>,1|C<4>,1|O<2>}	103.6430	0.000	1	103.6430	0.000	1	103.6430	0.000	1	103.6430	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:3:2:3:	3:3:3:	C[5,6]-4:C[5]-3:O-1:	C[5,6]-4:C[6a]-3:O[6]-2:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6a]O[6])(C[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[6a]C[5]O[6])(C[6a]C[6a]2)(O[6]C[6,6a])(C[5]C[5]O)	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6a]O[6])(C[5]C[6a]C[5])(O){1|O<2>,7|C<3>}	C[5,6](C[5,6]C[6a]C[5]O[6])(C[6a]C[6a]2)(O[6]C[6,6a])(C[5]C[5]O){2|H<1>,8|C<3>}	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]2){2|H<1>,2|O<2>,6|C<3>}	107.0840	0.000	1	107.0840	0.000	1	107.0840	0.000	1	107.0840	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:3:3:1:	3:2:1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:N[6]-3:C[5]-3:H-1:	C[5]-3:O[5]-2:H-1:	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]H)(H)	C[5,6](C[5,6]C[6]O[5]H)(N[6]C[6,6a]S)(C[5]C[5]H)(H)	C[5](C[5]C[5,6]H)(O[5]C[5,6])(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]H)(H){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	C[5,6](C[5,6]C[6]O[5]H)(N[6]C[6,6a]S)(C[5]C[5]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6]H)(O[5]C[5,6])(H){1|C<4>,1|N<3>,2|H<1>}	109.4020	0.000	1	109.4020	0.000	1	109.4020	0.000	1	109.4020	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:3:3:1:	3:2:4:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:N[6]-3:C[5]-3:H-1:	C[5]-3:O[5]-2:C-4:	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]C)(H)	C[5,6](C[5,6]C[6]O[5]C)(N[6]C[6,6a]S)(C[5]C[5]H)(H)	C[5](C[5]C[5,6]H)(O[5]C[5,6])(CH3)	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]C)(H){1|C<3>,1|S<4>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]C)(N[6]C[6,6a]S)(C[5]C[5]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6]H)(O[5]C[5,6])(CH3){1|H<1>,1|N<3>,2|C<4>}	110.1530	0.000	1	110.0860	0.009	2	110.0860	0.009	2	112.0297	11.338	3	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:3:3:1:	3:2:4:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:N[6]-3:C[5]-3:H-1:	C[5]-3:O[5]-2:C-4:	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]C)(H)	C[5,6](C[5,6]C[6]O[5]C)(N[6]C[6,6a]S)(C[5]C[5]H)(H)	C[5](C[5]C[5,6]H)(O[5]C[5,6])(CH3)	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]C)(H){1|C<3>,1|S<4>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]C)(N[6]C[6,6a]S)(C[5]C[5]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6]H)(O[5]C[5,6])(CH3){1|H<1>,1|N<3>,2|C<4>}	110.0190	0.000	1	110.0860	0.009	2	110.0860	0.009	2	112.0297	11.338	3	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:3:3:1:	3:2:4:	C[5,6]-4:C[5]-3:H-1:	C[6]-4:C[5,6]-3:C[5]-3:H-1:	C[5]-3:S[5]-2:C-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]S[5]C)(H)	C[5,6](C[6]C[5,6]C[6a]C)(C[5,6]C[6]S[5])(C[5]C[5]H)(H)	C[5](C[5]C[5,6]H)(S[5]C[5,6])(CH3)	C[5](C[5,6]C[5,6]C[6]H)(C[5]S[5]C)(H){1|C<4>,3|C<3>}	C[5,6](C[6]C[5,6]C[6a]C)(C[5,6]C[6]S[5])(C[5]C[5]H)(H){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6]H)(S[5]C[5,6])(CH3){1|C<3>,1|C<4>,1|H<1>}	115.9170	0.000	1	115.9170	0.000	1	115.9170	0.000	1	112.0297	11.338	3	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:3:3:1:	3:3:1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:N[6]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]S)(H)	C[5](C[5]C[5,6]C)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]S)(H){3|C<3>,3|H<1>}	C[5](C[5]C[5,6]C)(C[5]C[5,6]H)(H){1|C<4>,1|N<3>,2|H<1>}	110.9562	0.558	13	110.9562	0.312	13	111.0504	0.412	14	110.2850	4.738	16	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:3:3:1:	3:3:1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:N[6]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]N[6]C)(H)	C[5](C[5]C[5,6]C)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]N[6]C)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6]C)(C[5]C[5,6]H)(H){1|C<4>,1|N<3>,2|H<1>}	112.2740	0.000	1	112.2740	0.000	1	111.0504	0.412	14	110.2850	4.738	16	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:3:3:1:	3:3:1:	C[5,6]-4:C[5]-3:O-1:	C[5,6]-4:C[6]-3:C[5]-3:F-1:	C[5]-3:C[5]-3:F-1:	C[5](C[5,6]C[5,6]C[6]F)(C[5]C[5]F)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]C[5]O)(F)	C[5](C[5]C[5,6]H)(C[5]C[5,6]O)(F)	C[5](C[5,6]C[5,6]C[6]F)(C[5]C[5]F)(O){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]C[5]O)(F){1|C<4>,2|C<3>,2|F<1>,3|H<1>}	C[5](C[5]C[5,6]H)(C[5]C[5,6]O)(F){1|C<3>,1|C<4>,1|F<1>,1|H<1>}	104.9275	0.343	2	104.9275	0.118	2	104.9275	0.118	2	110.2850	4.738	16	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:3:3:1:	4:3:1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-3:C[5]-3:H-1:	C[5,5,6]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]2H)(C[5]C[5,5,6]H)(H)	C[5,6](C[5,6]C[5,6]O[5]O)(C[5,6]C[5,5,6]O)(C[5]C[5]H)(H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5,5,6]H)(H){1|O<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,6]O[5]O)(C[5,6]C[5,5,6]O)(C[5]C[5]H)(H){2|H<1>,4|C<4>}	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]H)(H){1|O<1>,4|C<4>,4|H<1>}	110.5530	0.000	1	110.5530	0.000	1	110.5530	0.000	1	109.7591	1.980	15	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:3:3:1:	4:3:1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6]H)(H)	C[5,6](C[5,6]C[5,6]2H)(C[5,6]C[5,6]C)(C[5]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]2H)(C[5,6]C[5,6]C)(C[5]C[5]H)(H){1|B<4>,1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(H){1|H<1>,2|C<3>,3|C<4>}	110.3700	0.000	1	110.3700	0.000	1	110.3194	0.016	5	109.7591	1.980	15	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:3:3:1:	4:3:1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6]H)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O)(C[5]C[5]H)(H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6]H)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O)(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6]H)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	110.3067	0.142	4	110.3067	0.020	4	110.3194	0.016	5	109.7591	1.980	15	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:3:3:1:	4:3:1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(H)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]H)(C[6]C[6]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]H)(C[6]C[6]C)(H){1|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(H){3|C<3>,4|H<1>}	108.7690	0.000	1	108.7690	0.000	1	108.7690	0.000	1	109.7591	1.980	15	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:3:3:1:	4:3:1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:N[6]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]C)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]C)(H){1|N<2>,1|N<3>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H){1|C<4>,1|N<3>,2|H<1>}	111.3890	0.000	1	111.8980	0.518	2	111.8980	0.518	2	109.7591	1.980	15	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:3:3:1:	4:3:1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:N[6]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]C)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]C)(H){1|N<2>,1|N<3>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H){1|C<4>,1|N<3>,2|H<1>}	112.4070	0.000	1	111.8980	0.518	2	111.8980	0.518	2	109.7591	1.980	15	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:3:3:1:	4:3:1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(H)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]O)(C[5]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]O)(C[5]C[5]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]H)(H){2|C<3>,2|O<2>,3|H<1>}	110.4840	0.000	1	110.4840	0.000	1	110.4840	0.000	1	109.7591	1.980	15	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:3:3:1:	4:3:1:	C[5,6]-4:C[5]-3:H-1:	C[6,6]-4:N[5,6]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]C[6,6]N[5,6]H)(C[5]C[5,6]H)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6]S)(C[5]C[5]H)(H)	C[5](C[5,6]C[6,6]N[5,6]H)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[6,6]N[5,6]H)(C[5]C[5,6]H)(H){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6]S)(C[5]C[5]H)(H){1|O<1>,2|C<4>,4|H<1>}	C[5](C[5,6]C[6,6]N[5,6]H)(C[5]C[5,6]H)(H){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	108.7665	0.149	2	108.7665	0.022	2	108.7665	0.022	2	109.7591	1.980	15	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:3:3:1:	4:3:1:	C[5,6]-4:C[5]-3:H-1:	C[6]-4:N[5,6]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]H)(H)	C[5,6](C[6]C[6]N[5]H)(N[5,6]C[5,6]C)(C[5]C[5]H)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]H)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]H)(H){1|N<3>,2|H<1>,3|C<4>}	C[5,6](C[6]C[6]N[5]H)(N[5,6]C[5,6]C)(C[5]C[5]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]H)(H){3|C<4>,3|H<1>}	107.8847	0.934	3	107.8847	0.873	3	107.8847	0.873	3	109.7591	1.980	15	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:3:3:1:	4:3:2:	C[5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:H-1:	C[5,5,6]-4:C[5]-3:C-2:	C[5](C[5,6]C[5,5,6]C[6,6a]H)(C[5]C[5,5,6]C)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]H)(H)	C[5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5]C[5,6]H)(CN)	C[5](C[5,6]C[5,5,6]C[6,6a]H)(C[5]C[5,5,6]C)(H){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]H)(H){1|C<4>,1|H<1>,2|C<2>,4|C<3>}	C[5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5]C[5,6]H)(CN){3|H<1>,4|C<3>}	109.6730	0.000	1	109.6730	0.000	1	109.6730	0.000	1	109.6730	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:3:3:1:	4:3:4:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-3:C[5]-3:H-1:	S[5]-4:C[5]-3:C-4:	C[5](C[5,6]C[5,6]2H)(C[5]S[5]C)(H)	C[5,6](C[5,6]C[5a,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H)(H)	C[5](S[5]C[5,6]OO)(C[5]C[5,6]H)(CH3)	C[5](C[5,6]C[5,6]2H)(C[5]S[5]C)(H){2|C<3>,2|C<4>,2|O<1>}	C[5,6](C[5,6]C[5a,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H)(H){2|C<3>,2|F<1>,2|O<1>,3|C<4>}	C[5](S[5]C[5,6]OO)(C[5]C[5,6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	114.1760	0.000	1	114.1760	0.000	1	114.1760	0.000	1	114.1760	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:3:3:2:	3:3:1:	C[5,6]-4:C[5]-3:O-1:	C[5,6]-4:C[6]-3:C[5]-3:O-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]H)(O)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]O)(C[5]C[5]O)(OH)	C[5](C[5]C[5,6]C)(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]H)(O){1|C<3>,1|O<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]O)(C[5]C[5]O)(OH){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]C)(C[5]C[5,6]O)(H){1|C<3>,1|O<2>,2|C<4>}	107.5480	0.000	1	107.5480	0.000	1	107.6295	0.013	2	107.6295	0.013	2	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:3:3:2:	3:3:1:	C[5,6]-4:C[5]-3:O-1:	C[5,6]-4:C[6]-3:C[5]-3:O-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]H)(O)	C[5,6](C[5,6]C[5]O[6]C)(C[6]C[6,6a]O)(C[5]C[5]O)(OH)	C[5](C[5]C[5,6]C)(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]H)(O){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[5]O[6]C)(C[6]C[6,6a]O)(C[5]C[5]O)(OH){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6]C)(C[5]C[5,6]O)(H){1|C<3>,1|C<4>,2|O<2>}	107.7110	0.000	1	107.7110	0.000	1	107.6295	0.013	2	107.6295	0.013	2	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:3:3:3:	3:3:3:	C[5,6]-4:C[5]-3:O-1:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,5,6]C[5,6]C[6a])(C[5]C[6a]C[5])(O)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]2)	C[5](C[5,6]C[5,5,6]C[5,6]C[6a])(C[5]C[6a]C[5])(O){9|C<3>}	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]O){11|C<3>,2|H<1>}	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]2){2|H<1>,8|C<3>}	107.3910	0.000	1	107.3910	0.000	1	107.3910	0.000	1	109.0380	2.471	3	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:3:3:3:	3:3:3:	C[5,6]-4:C[5]-3:O-1:	C[5,6,6]-4:C[5,6]-3:C[6a]-3:C[5]-3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6,6]C[5,6]C[6a])(C[5]C[5,6]C[6a])(O)	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6a])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5,6]C[5,6,6]C[6,6a])(C[5]C[5,6]O)(C[6a]C[6a]2)	C[5](C[5,6]C[5,6,6]C[5,6]C[6a])(C[5]C[5,6]C[6a])(O){9|C<3>}	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6a])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]O){11|C<3>,2|H<1>}	C[5](C[5,6]C[5,6,6]C[6,6a])(C[5]C[5,6]O)(C[6a]C[6a]2){2|H<1>,8|C<3>}	109.8615	0.934	2	109.8615	0.873	2	109.8615	0.873	2	109.0380	2.471	3	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:3:3:3:	4:3:3:	C[5,6]-4:C[5]-3:H-1:	C[6]-4:C[5,6]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5,6]C[6a])(H)	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5,6]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5,6]C[6a])(H){2|H<1>,8|C<3>}	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5,6]C)(C[6a]C[6a]2)(C[5]C[5]H){3|H<1>,7|C<3>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	111.8600	0.000	1	111.8600	0.000	1	111.8600	0.000	1	111.8600	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:3:3:4:	3:3:1:	C[5,6]-4:C[5]-3:O-1:	C[5,6,6]-4:C[6]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5]H)(O)	C[5,6](C[5,6,6]O[6,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6,6]C)(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5]H)(O){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6,6]O[6,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]O)(CH3){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6,6]C)(C[5]C[5,6]O)(H){1|C<3>,1|O<2>,2|C<4>}	106.6660	0.000	1	106.6660	0.000	1	106.6660	0.000	1	106.6660	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:3:3:4:	3:3:4:	C[5,6]-4:C[5]-3:O-1:	C[5,6]-4:C[5]-3:C[6]-3:C-4:	C[5]-3:C[5]-3:C[6]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C[6])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O)(C[6]C[6]C)(CH3)	C[5](C[5]C[5,6]C)(C[5]C[5,6]O)(C[6]C[6]2H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C[6])(O){2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[5,6]C)(C[5]C[5,6]O)(C[6]C[6]2H){2|H<1>,3|C<4>,4|C<3>}	109.0415	0.220	2	108.9973	0.030	3	108.9973	0.030	3	108.9973	0.030	3	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:3:3:4:	3:3:4:	C[5,6]-4:C[5]-3:O-1:	C[5,6]-4:C[5]-3:C[6]-3:C-4:	C[5]-3:C[5]-3:C[6]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C[6])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O)(C[6]C[6]C)(CH3)	C[5](C[5]C[5,6]C)(C[5]C[5,6]O)(C[6]C[6]2H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C[6])(O){2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O)(C[6]C[6]C)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6]C)(C[5]C[5,6]O)(C[6]C[6]2H){2|H<1>,3|C<4>,4|C<3>}	108.9090	0.000	1	108.9973	0.030	3	108.9973	0.030	3	108.9973	0.030	3	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:3:4:3:	3:3:2:	C[5,6]-4:C[5]-3:H-1:	P[5,6]-4:C[6a]-3:C[6]-4:C[5]-3:	C[5]-3:C[6a]-3:O[5]-2:	C[5](C[5,6]P[5,6]C[6a]C[6])(C[5]C[6a]O[5])(H)	C[5,6](P[5,6]C[6]O[5]S)(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]C[5]H)	C[5](C[5]C[5,6]H)(C[6a]C[6a]2)(O[5]P[5,6])	C[5](C[5,6]P[5,6]C[6a]C[6])(C[5]C[6a]O[5])(H){1|C<4>,1|S<1>,2|H<1>,5|C<3>}	C[5,6](P[5,6]C[6]O[5]S)(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]C[5]H){1|C<4>,4|C<3>,4|H<1>}	C[5](C[5]C[5,6]H)(C[6a]C[6a]2)(O[5]P[5,6]){1|S<1>,2|C<4>,2|H<1>,3|C<3>}	115.8360	0.000	1	115.8360	0.000	1	115.8360	0.000	1	115.8360	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:1:	2:3:1:	C[5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[6,6]-4:C[5]-3:H-1:	O[5]-2:C[5]-3:H-1:	C[5](C[5,6]C[5,5,6]C[6,6]H)(C[5]O[5]H)(H)	C[5,6](C[5,5,6]N[5,6]C[5]O[5])(C[6,6]C[6,6,6a]C[6]O)(C[5]C[5]H)(H)	C[5](O[5]C[5,5,6])(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,5,6]C[6,6]H)(C[5]O[5]H)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>}	C[5,6](C[5,5,6]N[5,6]C[5]O[5])(C[6,6]C[6,6,6a]C[6]O)(C[5]C[5]H)(H){2|C<4>,3|C<3>,5|H<1>}	C[5](O[5]C[5,5,6])(C[5]C[5,6]H)(H){1|H<1>,1|N<3>,2|C<4>}	108.7720	0.000	1	108.7720	0.000	1	108.7720	0.000	1	109.8052	0.481	6	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:1:	2:3:1:	C[5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	O[5]-2:C[5]-3:H-1:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]O[5]H)(H)	C[5,6](C[5,5,6]N[5,6]C[5]O[5])(C[6]C[6,6a]HO)(C[5]C[5]H)(H)	C[5](O[5]C[5,5,6])(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]O[5]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[5,6](C[5,5,6]N[5,6]C[5]O[5])(C[6]C[6,6a]HO)(C[5]C[5]H)(H){1|C<4>,3|C<3>,3|H<1>}	C[5](O[5]C[5,5,6])(C[5]C[5,6]H)(H){1|H<1>,1|N<3>,2|C<4>}	109.7057	0.219	3	109.7057	0.048	3	109.7057	0.048	3	109.8052	0.481	6	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:1:	2:3:1:	C[5,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-3:H-1:	O[5]-2:C[5]-3:H-1:	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]O[5]H)(H)	C[5,6](C[5,6,6]N[6,6]C[6]O[5])(C[5,6]C[5,6,6a]C[5]O)(C[5]C[5]H)(H)	C[5](O[5]C[5,6,6])(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]O[5]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5,6](C[5,6,6]N[6,6]C[6]O[5])(C[5,6]C[5,6,6a]C[5]O)(C[5]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5](O[5]C[5,6,6])(C[5]C[5,6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	110.8730	0.000	1	110.8730	0.000	1	110.8730	0.000	1	109.8052	0.481	6	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:1:	2:3:1:	C[5,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	O[5]-2:C[5]-3:H-1:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]O[5]H)(H)	C[5,6](C[5,6,6]N[6,6]C[6]O[5])(C[6]C[6,6a]HO)(C[5]C[5]H)(H)	C[5](O[5]C[5,6,6])(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]O[5]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6](C[5,6,6]N[6,6]C[6]O[5])(C[6]C[6,6a]HO)(C[5]C[5]H)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](O[5]C[5,6,6])(C[5]C[5,6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	110.0690	0.000	1	110.0690	0.000	1	110.0690	0.000	1	109.8052	0.481	6	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:1:	3:3:1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:F-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]F)(H)	C[5,6](C[5,6]C[5]C[6]F)(C[6]C[6]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5,6]H)(C[5]C[5,6]O)(F)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]F)(H){1|C<3>,1|C<4>,1|F<1>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]F)(C[6]C[6]HH)(C[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<3>,2|F<1>}	C[5](C[5]C[5,6]H)(C[5]C[5,6]O)(F){1|C<3>,1|C<4>,1|F<1>,1|H<1>}	111.4590	0.409	2	111.4590	0.167	2	111.4590	0.167	2	109.2312	6.835	9	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:1:	3:3:1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5,6]H)(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H){1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]H)(H){1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[5](C[5]C[5,6]H)(C[5]C[5,6]O)(H){1|H<1>,3|C<4>}	110.9650	0.000	1	110.9650	0.000	1	110.9650	0.000	1	109.2312	6.835	9	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:1:	3:3:1:	C[5,6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]H)(H)	C[5](C[5]C[5,6]H)(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H){1|H<1>,1|O<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]H)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[5](C[5]C[5,6]H)(C[5]C[5,6]O)(H){1|H<1>,3|C<4>}	113.4850	0.000	1	113.4850	0.000	1	113.4850	0.000	1	109.2312	6.835	9	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:1:	3:3:1:	C[5,6]-4:C[5]-3:O-1:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-3:C[5]-3:Cl-1:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]Cl)(O)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(C[5]C[5]O)(H)	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]O)(Cl)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]Cl)(O){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(C[5]C[5]O)(H){2|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]O)(Cl){2|C<3>,2|C<4>,3|H<1>}	106.3870	0.000	1	106.3870	0.000	1	106.3870	0.000	1	109.2312	6.835	9	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:1:	3:3:1:	C[5,6]-4:C[5]-3:O-1:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]H)(O)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(C[5]C[5]O)(H)	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]H)(O){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(C[5]C[5]O)(H){1|C<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]O)(H){1|H<1>,3|C<3>,3|C<4>}	106.5940	0.000	1	106.5940	0.000	1	107.1060	0.524	2	109.2312	6.835	9	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:1:	3:3:1:	C[5,6]-4:C[5]-3:O-1:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]H)(O)	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]O)(H)	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]H)(O){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]O)(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]O)(H){2|C<3>,2|C<4>,3|H<1>}	107.6180	0.000	1	107.6180	0.000	1	107.1060	0.524	2	109.2312	6.835	9	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:1:	3:3:1:	C[5,6]-4:C[5]-3:O-1:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]H)(O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H)	C[5](C[5]C[5,6]H)(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]H)(O){2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H){1|C<3>,1|C<4>,1|O<2>,7|H<1>}	C[5](C[5]C[5,6]H)(C[5]C[5,6]O)(H){1|H<1>,3|C<4>}	107.8960	0.000	1	107.8960	0.000	1	107.8960	0.000	1	109.2312	6.835	9	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:1:	3:3:1:	C[5,6]-4:C[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(O)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]O)(H)	C[5](C[5]C[5,6]C)(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(O){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]O)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]C)(C[5]C[5,6]O)(H){1|C<3>,1|H<1>,2|C<4>}	107.2180	0.000	1	107.2180	0.000	1	107.2180	0.000	1	109.2312	6.835	9	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:1:	3:3:2:	C[5,6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:O-2:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]H)(H)	C[5](C[5]C[5,6]H)(C[5]C[5,6]O)(OSi)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[5,6]H)(C[5]C[5,6]O)(OSi){1|H<1>,3|C<4>}	113.5860	0.000	1	113.5860	0.000	1	113.5860	0.000	1	113.5860	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6]-4:C[5]-3:O-1:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]C)(O)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O)(H)	C[5](C[5,5]C[5,5,6]C[5])(C[5]C[5,6]O)(CH3)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]C)(O){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O)(H){1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,5,6]C[5])(C[5]C[5,6]O)(CH3){1|N<3>,3|C<4>,3|H<1>}	109.0440	0.000	1	109.0440	0.000	1	109.0440	0.000	1	109.0440	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:1:	4:3:1:	C[5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]H)(H)	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[6]N[6]HH)(C[5]C[5]H)(H)	C[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]H)(H){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[6]N[6]HH)(C[5]C[5]H)(H){1|C<4>,1|N<3>,1|S<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]H)(H){1|H<1>,2|C<3>,3|C<4>}	112.4757	0.423	3	112.4757	0.179	3	112.4757	0.179	3	111.0035	3.362	31	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:1:	4:3:1:	C[5,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]CO)(C[5]C[5]H)(H)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]H)(H){1|H<1>,1|O<2>,5|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]CO)(C[5]C[5]H)(H){4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]H)(H){3|C<4>,4|H<1>}	110.5095	0.244	2	110.5095	0.060	2	110.5095	0.060	2	111.0035	3.362	31	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:1:	4:3:1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6]H)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]HO)(C[5]C[5]H)(H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]HO)(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	109.3350	0.126	4	109.3350	0.016	4	109.6666	0.562	5	111.0035	3.362	31	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:1:	4:3:1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6]H)(H)	C[5,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[5,6]C[5,6]HH)(C[5]C[5]H)(H)	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6]H)(H){3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[5,6]C[5,6]HH)(C[5]C[5]H)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5,6]H)(H){1|C<4>,2|C<3>,3|H<1>}	110.9930	0.000	1	110.9930	0.000	1	109.6666	0.562	5	111.0035	3.362	31	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:1:	4:3:1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]H)(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[6]CH)(C[5]C[5]H)(H)	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]H)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[6]CH)(C[5]C[5]H)(H){1|C<3>,3|O<2>,4|H<1>}	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5,6]H)(H){2|C<3>,2|C<4>,3|H<1>}	112.0850	0.000	1	112.0850	0.000	1	112.0850	0.000	1	111.0035	3.362	31	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:1:	4:3:1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(H)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5a,6]CH)(C[5]C[5]H)(H)	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5a,6]CH)(C[5]C[5]H)(H){1|C<3>,1|N<3>,2|H<1>}	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5,6]H)(H){1|C<4>,2|C<3>,3|H<1>}	114.1690	0.000	1	114.1690	0.000	1	110.7150	3.045	6	111.0035	3.362	31	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:1:	4:3:1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(H)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(C[5]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(C[5]C[5]H)(H){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]H)(H){3|C<4>,4|H<1>}	109.9090	0.000	1	109.9090	0.000	1	110.7150	3.045	6	111.0035	3.362	31	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:1:	4:3:1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(H)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]H)(H){1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	109.9940	0.000	1	109.9940	0.000	1	110.7150	3.045	6	111.0035	3.362	31	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:1:	4:3:1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(H)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]N[5]H)(C[5]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]N[5]H)(C[5]C[5]H)(H){1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(H){1|C<3>,1|C<4>,5|H<1>}	109.8160	0.000	1	109.8160	0.000	1	110.7150	3.045	6	111.0035	3.362	31	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:1:	4:3:1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(H)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6a]C[6]H)(C[5]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(H){3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6a]C[6]H)(C[5]C[5]H)(H){3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(H){1|C<4>,2|C<3>,3|H<1>}	110.8290	0.000	1	110.8290	0.000	1	110.7150	3.045	6	111.0035	3.362	31	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:1:	4:3:1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(H)	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6]CH)(C[5]C[5]H)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6]CH)(C[5]C[5]H)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5,6]H)(H){1|C<4>,1|N<3>,3|H<1>}	109.5730	0.000	1	109.5730	0.000	1	110.7150	3.045	6	111.0035	3.362	31	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:1:	4:3:1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[3,6]C[5]H)(C[6]C[6]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5,6]HO)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[3,6]C[5]H)(C[6]C[6]CH)(C[5]C[5]H)(H){2|C<4>,2|O<2>,4|H<1>}	C[5](C[5]C[5,6]HO)(C[5]C[5,6]H)(H){2|C<4>,2|H<1>}	113.1610	0.000	1	113.1610	0.000	1	112.6224	0.826	9	111.0035	3.362	31	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:1:	4:3:1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5,6]CC)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]CC)(C[5]C[5,6]H)(H){1|C<4>,1|H<1>,2|O<2>}	112.2790	0.000	1	112.2790	0.000	1	112.6224	0.826	9	111.0035	3.362	31	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:1:	4:3:1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H){1|C<2>,1|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H){1|C<2>,1|C<4>,4|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(H){1|C<4>,1|H<1>,2|O<2>}	112.6700	0.000	1	112.7035	0.853	4	112.6224	0.826	9	111.0035	3.362	31	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:1:	4:3:1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(H){1|C<4>,1|H<1>,2|O<2>}	112.9060	1.529	2	112.7035	0.853	4	112.6224	0.826	9	111.0035	3.362	31	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:1:	4:3:1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H){2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H){2|C<4>,4|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(H){1|C<4>,1|H<1>,2|O<2>}	112.3320	0.000	1	112.7035	0.853	4	112.6224	0.826	9	111.0035	3.362	31	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:1:	4:3:1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5,6]HN)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H){1|C<4>,1|N<3>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H){1|C<4>,1|N<3>,4|H<1>}	C[5](C[5]C[5,6]HN)(C[5]C[5,6]H)(H){1|C<4>,1|H<1>,2|O<2>}	112.5630	0.000	1	112.5630	0.000	1	112.6224	0.826	9	111.0035	3.362	31	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:1:	4:3:1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5,6]HS)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H){1|C<4>,1|S<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H){1|C<4>,1|S<4>,4|H<1>}	C[5](C[5]C[5,6]HS)(C[5]C[5,6]H)(H){1|C<4>,1|H<1>,2|O<2>}	113.7170	0.000	1	113.7170	0.000	1	112.6224	0.826	9	111.0035	3.362	31	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:1:	4:3:1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]H)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]H)(H){2|C<4>,2|H<1>}	111.0680	0.000	1	111.0680	0.000	1	112.6224	0.826	9	111.0035	3.362	31	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:1:	4:3:1:	C[5,6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]H)(H)	C[5,6](C[6,6]C[5,5,6]C[6,6]H)(C[5,6]C[5,6]HH)(C[5]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]H)(H){3|C<4>,4|H<1>}	C[5,6](C[6,6]C[5,5,6]C[6,6]H)(C[5,6]C[5,6]HH)(C[5]C[5]H)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(H){2|C<4>,5|H<1>}	109.6880	0.000	1	109.6880	0.000	1	109.6545	0.039	4	111.0035	3.362	31	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:1:	4:3:1:	C[5,6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]H)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]H)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]H)(H){1|O<1>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]H)(H){1|C<3>,2|C<4>,4|H<1>}	109.5405	0.231	2	109.5405	0.053	2	109.6545	0.039	4	111.0035	3.362	31	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:1:	4:3:1:	C[5,6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]H)(H)	C[5,6](C[6,6]C[6,6]O[6]O)(C[5,6]C[5,6]HH)(C[5]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]H)(H){2|C<3>,2|O<2>,3|H<1>}	C[5,6](C[6,6]C[6,6]O[6]O)(C[5,6]C[5,6]HH)(C[5]C[5]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	109.8490	0.000	1	109.8490	0.000	1	109.6545	0.039	4	111.0035	3.362	31	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:1:	4:3:1:	C[5,6]-4:C[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,3x6]-4:C[5]-3:O-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,3x6]O)(O)	C[5,6](C[5,6]C[5,3x6]HO)(C[6]C[6]HH)(C[5]C[5]O)(H)	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]O)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,3x6]O)(O){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,3x6]HO)(C[6]C[6]HH)(C[5]C[5]O)(H){1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]O)(O){3|H<1>,3|O<2>,4|C<4>}	105.7340	0.000	1	105.7340	0.000	1	105.7340	0.000	1	111.0035	3.362	31	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:1:	4:3:2:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:O-2:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(H)	C[5,6](C[5,6]C[5,6]C[6a]H)(C[6]C[6]CH)(C[5]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(OC)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(H){3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6]C[6a]H)(C[6]C[6]CH)(C[5]C[5]H)(H){1|H<1>,2|O<2>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(OC){1|C<4>,2|C<3>,3|H<1>}	107.6960	0.304	2	107.6960	0.092	2	107.6960	0.092	2	107.6960	0.092	2	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:1:	4:3:3:	C[5,6]-4:C[5]-3:H-1:	C[4,5,6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5](C[5,6]C[4,5,6,6]C[5,6]H)(C[5]C[5,6]C[6a])(H)	C[5,6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]C[5,5,6])(C[5,6]C[5,6]HH)(C[5]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[5](C[5,6]C[4,5,6,6]C[5,6]H)(C[5]C[5,6]C[6a])(H){2|C<3>,3|H<1>,4|C<4>}	C[5,6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]C[5,5,6])(C[5,6]C[5,6]HH)(C[5]C[5]H)(H){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(C[6a]C[6a]2){2|C<3>,3|C<4>,6|H<1>}	111.5520	0.000	1	111.5520	0.000	1	111.0383	0.209	4	111.5287	0.791	6	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:1:	4:3:3:	C[5,6]-4:C[5]-3:H-1:	C[4,5,6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5](C[5,6]C[4,5,6,6]C[5,6]H)(C[5]C[5,6]C[6a])(H)	C[5,6](C[4,5,6,6]C[4,5,6,6]2O[5,6])(C[5,6]C[5,6]HH)(C[5]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[5](C[5,6]C[4,5,6,6]C[5,6]H)(C[5]C[5,6]C[6a])(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[4,5,6,6]C[4,5,6,6]2O[5,6])(C[5,6]C[5,6]HH)(C[5]C[5]H)(H){2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(C[6a]C[6a]2){2|C<3>,3|C<4>,6|H<1>}	110.8670	0.372	3	110.8670	0.138	3	111.0383	0.209	4	111.5287	0.791	6	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:1:	4:3:3:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]C)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5]H)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(CCO)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]C)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5]H)(H){2|C<3>,3|C<4>,5|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(CCO){1|C<3>,1|C<4>,2|H<1>}	112.0390	0.000	1	112.0390	0.000	1	112.0390	0.000	1	111.5287	0.791	6	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:1:	4:3:3:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(CCN)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]H)(H){2|C<3>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(CCN){1|C<3>,1|C<4>,2|H<1>}	112.9800	0.000	1	112.9800	0.000	1	112.9800	0.000	1	111.5287	0.791	6	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:1:	4:3:4:	C[5,6]-4:C[5]-3:H-1:	S[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5](C[5,6]S[5,6]C[6]H)(C[5]C[5,6]C)(H)	C[5,6](S[5,6]C[5,6]OO)(C[6]C[6]CO)(C[5]C[5]H)(H)	C[5](C[5,6]S[5,6]C[6]H)(C[5]C[5,6]H)(CH3)	C[5](C[5,6]S[5,6]C[6]H)(C[5]C[5,6]C)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|O<1>}	C[5,6](S[5,6]C[5,6]OO)(C[6]C[6]CO)(C[5]C[5]H)(H){2|C<4>,3|H<1>}	C[5](C[5,6]S[5,6]C[6]H)(C[5]C[5,6]H)(CH3){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	114.5730	0.058	2	114.5730	0.003	2	114.5730	0.003	2	114.5730	0.003	2	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:2:	3:2:1:	C[5,6]-4:C[5]-3:H-1:	C[6]-4:C[6]-4:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:H-1:	C[5](C[5,6]C[6]2N[5])(C[5]N[5]H)(H)	C[5,6](C[6]C[6]HH)2(C[5]C[5]H)(N[5]N[5])	C[5](C[5]C[5,6]H)(N[5]N[5])(H)	C[5](C[5,6]C[6]2N[5])(C[5]N[5]H)(H){2|C<4>,4|H<1>}	C[5,6](C[6]C[6]HH)2(C[5]C[5]H)(N[5]N[5]){1|C<4>,5|H<1>}	C[5](C[5]C[5,6]H)(N[5]N[5])(H){2|C<4>}	107.1660	0.000	1	107.1660	0.000	1	107.1660	0.000	1	107.1660	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:2:	3:3:1:	C[5,6]-4:C[5]-3:H-1:	C[6]-4:C[6]-4:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(H)	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[6a]N[5])(C[5]C[5,6]H)(H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|N<3>,5|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[5,6]H)(H){2|C<3>,2|C<4>}	107.6110	0.000	1	107.6110	0.000	1	107.6110	0.000	1	108.1905	0.672	2	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:2:	3:3:1:	C[5,6]-4:C[5]-3:O-1:	C[5]-4:C[6]-4:C[5]-3:O[6]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]H)(O)	C[5,6](C[5]C[5]CC)(C[6]C[6]HH)(C[5]C[5]O)(O[6]C[6])	C[5](C[5]C[5,6]O)(C[5]C[5]H)(H)	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]H)(O){3|H<1>,4|C<4>}	C[5,6](C[5]C[5]CC)(C[6]C[6]HH)(C[5]C[5]O)(O[6]C[6]){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]O)(C[5]C[5]H)(H){1|O<2>,3|C<4>}	108.7700	0.000	1	108.7700	0.000	1	108.7700	0.000	1	108.1905	0.672	2	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:2:	3:3:3:	C[5,6]-4:C[5]-3:O-1:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5])(O)	C[5,6](C[6]C[6]HH)2(C[5]C[5]O)(O[5]C[5])	C[5](C[5]C[5,6]O)(C[6a]C[6a]2)(C[5]O[5]C)	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5])(O){2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[6]C[6]HH)2(C[5]C[5]O)(O[5]C[5]){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]O)(C[6a]C[6a]2)(C[5]O[5]C){2|C<3>,2|C<4>,2|H<1>}	107.3970	0.000	1	107.3970	0.000	1	107.3970	0.000	1	106.8625	0.144	4	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:2:	3:3:3:	C[5,6]-4:C[5]-3:O-1:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[6]-3:C[5]-3:C[5]-3:	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C[6])(O)	C[5,6](C[6]C[6]CC)(C[6]C[6]HH)(C[5]C[5]O)(O[5]C[5])	C[5](C[6]C[6]O[6])(C[5]C[5,6]O)(C[5]O[5]O)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C[6])(O){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6]C[6]CC)(C[6]C[6]HH)(C[5]C[5]O)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[6]C[6]O[6])(C[5]C[5,6]O)(C[5]O[5]O){1|C<3>,1|H<1>,3|C<4>}	106.6843	0.159	3	106.6843	0.025	3	106.6843	0.025	3	106.8625	0.144	4	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:2:	3:3:4:	C[5,6]-4:C[5]-3:H-1:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(H)	C[5,6](C[6]C[6]HH)2(C[5]C[5]H)(O[5]C[5])	C[5](C[5]C[5,6]H)(C[5]O[5]O)(CClHH)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(H){1|O<1>,2|C<4>,4|H<1>}	C[5,6](C[6]C[6]HH)2(C[5]C[5]H)(O[5]C[5]){1|O<1>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]H)(C[5]O[5]O)(CClHH){2|C<4>}	111.9735	0.532	2	111.9735	0.284	2	111.9735	0.284	2	110.1477	10.143	3	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:2:	3:3:4:	C[5,6]-4:C[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]C)(O)	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(C[5]C[5]O)(O[5]C[5])	C[5](C[5]C[5,6]O)(C[5]O[5]H)(CH3)	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]C)(O){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(C[5]C[5]O)(O[5]C[5]){1|O<1>,2|C<4>,3|H<1>,3|O<2>}	C[5](C[5]C[5,6]O)(C[5]O[5]H)(CH3){2|C<4>}	106.4960	0.000	1	106.4960	0.000	1	106.4960	0.000	1	110.1477	10.143	3	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:2:	3:4:1:	C[5,6]-4:C[5]-3:H-1:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5]-3:C[5]-4:H-1:	C[5](C[5,6]C[6]2O[5])(C[5]C[5]H)(H)	C[5,6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(C[5]C[5]H)(O[5]C[5])	C[5](C[5]C[5,6]H)(C[5]O[5]HH)(H)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5,6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(C[5]C[5]H)(O[5]C[5]){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	C[5](C[5]C[5,6]H)(C[5]O[5]HH)(H){2|C<4>}	110.1340	0.000	1	110.1340	0.000	1	110.1340	0.000	1	110.1340	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:2:	4:3:1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]HH)(C[5]C[5]H)(OC)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]H)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]HH)(C[5]C[5]H)(OC){1|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(H){1|H<1>,1|O<2>,2|C<4>}	109.0960	0.000	1	109.0960	0.000	1	109.4270	0.219	2	109.4270	0.219	2	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:2:	4:3:1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]C[5]H)(OH)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]H)(H){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]C[5]H)(OH){1|C<4>,2|O<2>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H){1|H<1>,1|O<2>,2|C<4>}	109.7580	0.000	1	109.7580	0.000	1	109.4270	0.219	2	109.4270	0.219	2	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:3:	3:2:3:	C[5,6]-4:C[5]-3:O-1:	C[6]-4:C[5]-4:C[5]-3:C[6]-3:	C[5]-3:S[5]-2:C-3:	C[5](C[5,6]C[5]C[6]2)(C[5]S[5]C)(O)	C[5,6](C[6]C[6a]C[6]H)(C[5]S[5]HH)(C[5]C[5]O)(C[6]C[6]N)	C[5](C[5]C[5,6]O)(S[5]C[5])(CC[6a]H)	C[5](C[5,6]C[5]C[6]2)(C[5]S[5]C)(O){1|N<3>,3|C<3>,3|H<1>}	C[5,6](C[6]C[6a]C[6]H)(C[5]S[5]HH)(C[5]C[5]O)(C[6]C[6]N){1|C<2>,1|H<1>,4|C<3>}	C[5](C[5]C[5,6]O)(S[5]C[5])(CC[6a]H){1|C<3>,1|C<4>,2|H<1>}	111.8620	0.000	1	111.8620	0.000	1	111.8620	0.000	1	111.8620	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:3:	3:3:1:	C[5,6]-4:C[5]-3:H-1:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(H)	C[5,6](C[6]C[3,6]HH)(C[6]C[6]HH)(C[5]C[5]H)(N[5]C[5]C)	C[5](C[5]C[5,6]H)(C[5]N[5]O)(H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(H){1|O<1>,3|C<4>,4|H<1>}	C[5,6](C[6]C[3,6]HH)(C[6]C[6]HH)(C[5]C[5]H)(N[5]C[5]C){1|O<1>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]H)(C[5]N[5]O)(H){3|C<4>}	111.0310	0.000	1	111.0310	0.000	1	111.5096	0.275	7	110.4856	4.336	9	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:3:	3:3:1:	C[5,6]-4:C[5]-3:H-1:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(H)	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]H)(N[5]C[5]C)	C[5](C[5]C[5,6]H)(C[5]N[5]O)(H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(H){1|O<1>,3|C<4>,4|H<1>}	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5](C[5]C[5,6]H)(C[5]N[5]O)(H){3|C<4>}	112.0770	0.000	1	112.0770	0.000	1	111.5096	0.275	7	110.4856	4.336	9	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:3:	3:3:1:	C[5,6]-4:C[5]-3:H-1:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(H)	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]H)(N[5]C[5]H)	C[5](C[5]C[5,6]H)(C[5]N[5]O)(H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(H){1|O<1>,2|C<4>,5|H<1>}	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]H)(C[5]N[5]O)(H){1|H<1>,2|C<4>}	110.9570	0.000	1	110.9570	0.000	1	111.5096	0.275	7	110.4856	4.336	9	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:3:	3:3:1:	C[5,6]-4:C[5]-3:H-1:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(H)	C[5,6](C[6]C[6]HH)2(C[5]C[5]H)(N[5]C[5]C)	C[5](C[5]C[5,6]H)(C[5]N[5]O)(H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(H){1|O<1>,3|C<4>,4|H<1>}	C[5,6](C[6]C[6]HH)2(C[5]C[5]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5](C[5]C[5,6]H)(C[5]N[5]O)(H){3|C<4>}	111.7295	0.197	2	111.7295	0.039	2	111.5096	0.275	7	110.4856	4.336	9	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:3:	3:3:1:	C[5,6]-4:C[5]-3:H-1:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(H)	C[5,6](C[6]C[6]HH)2(C[5]C[5]H)(N[5]C[5]H)	C[5](C[5]C[5,6]H)(C[5]N[5]O)(H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[5,6](C[6]C[6]HH)2(C[5]C[5]H)(N[5]C[5]H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]H)(C[5]N[5]O)(H){1|H<1>,2|C<4>}	110.9490	0.000	1	110.9490	0.000	1	111.5096	0.275	7	110.4856	4.336	9	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:3:	3:3:1:	C[5,6]-4:C[5]-3:H-1:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(H)	C[5,6](C[6]N[6]HH)2(C[5]C[5]H)(N[5]C[5]C)	C[5](C[5]C[5,6]H)(C[5]N[5]O)(H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(H){1|C<3>,1|O<1>,2|N<3>,4|H<1>}	C[5,6](C[6]N[6]HH)2(C[5]C[5]H)(N[5]C[5]C){1|H<1>,1|O<1>,3|C<4>}	C[5](C[5]C[5,6]H)(C[5]N[5]O)(H){1|C<3>,2|C<4>}	112.0940	0.000	1	112.0940	0.000	1	111.5096	0.275	7	110.4856	4.336	9	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:3:	3:3:1:	C[5,6]-4:C[5]-3:O-1:	C[5,6]-4:C[5]-4:C[5]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]H)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]2H)(C[5]C[5]O)(C[6]O[6]O)	C[5](C[5]C[5,6]C)(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]H)(O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]2H)(C[5]C[5]O)(C[6]O[6]O){1|C<3>,1|O<1>,3|H<1>,5|C<4>}	C[5](C[5]C[5,6]C)(C[5]C[5,6]O)(H){1|C<3>,1|H<1>,2|C<4>}	106.9740	0.000	1	106.9740	0.000	1	106.9740	0.000	1	110.4856	4.336	9	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:3:	3:3:1:	C[5,6]-4:C[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3]C[6]H)(C[5]C[5]O)(CCO)	C[5](C[5]C[5,6]C)(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(O){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3]C[6]H)(C[5]C[5]O)(CCO){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5]C[5,6]C)(C[5]C[5,6]O)(H){1|C<4>,1|H<1>,2|C<3>}	106.8290	0.000	1	106.8290	0.000	1	106.8290	0.000	1	110.4856	4.336	9	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:3:	3:3:2:	C[5,6]-4:C[5]-3:H-1:	C[6,6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5]-3:C[5a]-3:O[5]-2:	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5a]O[5])(H)	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(C[5]C[5]H)(C[5]O[5]O)	C[5](C[5]C[5,6]H)(C[5a]C[5a]2)(O[5]C[5])	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5a]O[5])(H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(C[5]C[5]H)(C[5]O[5]O){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]H)(C[5a]C[5a]2)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	110.8390	0.000	1	110.8390	0.000	1	110.8390	0.000	1	110.8390	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:3:	3:3:4:	C[5,6]-4:C[5]-3:H-1:	C[5]-4:C[6]-4:C[5]-3:C[6]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]C)(H)	C[5,6](C[5]C[5]CO)(C[6]C[6]HH)(C[5]C[5]H)(C[6]C[6]H)	C[5](C[5]C[5,6]H)(C[5]C[5]O)(CCHH)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5]C[5]CO)(C[6]C[6]HH)(C[5]C[5]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6]H)(C[5]C[5]O)(CCHH){1|C<3>,1|O<2>,2|C<4>}	114.0110	0.000	1	114.0110	0.000	1	114.0110	0.000	1	111.3353	7.306	3	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:3:	3:3:4:	C[5,6]-4:C[5]-3:H-1:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]C)(H)	C[5,6](C[6]O[6]CH)(C[6]O[6]HH)(C[5]C[5]H)(N[5]C[5]H)	C[5](C[5]C[5,6]H)(C[5]N[5]O)(CH3)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]C)(H){1|C<4>,1|O<1>,2|O<2>,4|H<1>}	C[5,6](C[6]O[6]CH)(C[6]O[6]HH)(C[5]C[5]H)(N[5]C[5]H){1|O<1>,2|C<4>}	C[5](C[5]C[5,6]H)(C[5]N[5]O)(CH3){1|H<1>,2|C<4>}	111.3890	0.000	1	111.3890	0.000	1	111.3890	0.000	1	111.3353	7.306	3	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:3:	3:3:4:	C[5,6]-4:C[5]-3:O-1:	C[6,6]-4:C[5]-4:C[5]-3:C[6]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]C)(O)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(C[5]C[5]O)(C[6]C[6]O)	C[5](C[5]C[5,6]O)(C[5]C[5]H)(CH3)	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]C)(O){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(C[5]C[5]O)(C[6]C[6]O){2|C<3>,2|H<1>,4|C<4>}	C[5](C[5]C[5,6]O)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>,2|H<1>}	108.6060	0.000	1	108.6060	0.000	1	108.6060	0.000	1	111.3353	7.306	3	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:3:	3:4:1:	C[5,6]-4:C[5]-3:H-1:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(H)	C[5,6](C[6]C[6]HH)2(C[5]C[5]H)(N[5]C[5]C)	C[5](C[5]C[5,6]H)(C[5]N[5]HH)(H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(H){3|C<4>,6|H<1>}	C[5,6](C[6]C[6]HH)2(C[5]C[5]H)(N[5]C[5]C){1|C<3>,1|C<4>,6|H<1>}	C[5](C[5]C[5,6]H)(C[5]N[5]HH)(H){3|C<4>}	110.8600	0.000	1	110.8600	0.000	1	110.8600	0.000	1	110.8600	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:3:	3:4:4:	C[5,6]-4:C[5]-3:H-1:	C[6,6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-4:C-4:	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]C)(H)	C[5,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(C[5]C[5]H)(C[5]C[5]O)	C[5](C[5]C[5,6]H)(C[5]C[5]HH)(CH3)	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]C)(H){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(C[5]C[5]H)(C[5]C[5]O){5|H<1>,6|C<4>}	C[5](C[5]C[5,6]H)(C[5]C[5]HH)(CH3){1|O<1>,2|C<4>}	112.2260	0.000	1	112.2260	0.000	1	112.2260	0.000	1	112.2260	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:3:	4:3:3:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]C[5])(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]N[6]HH)(C[5]C[5]H)(COO)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]C[5])(H){1|N<3>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]N[6]HH)(C[5]C[5]H)(COO){1|S<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	110.8700	0.000	1	110.8700	0.000	1	110.8700	0.000	1	108.3710	12.490	2	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:3:	4:3:3:	C[5,6]-4:C[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[5]-3:C-3:	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]C)(O)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]O[6]O)(C[5]C[5]O)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(CHH)	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]C)(O){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]O[6]O)(C[5]C[5]O)(C[6]C[6]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(CHH){1|C<4>,2|C<3>,4|H<1>}	105.8720	0.000	1	105.8720	0.000	1	105.8720	0.000	1	108.3710	12.490	2	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:3:	4:3:4:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[3]C[6]H)(C[5]C[5]H)(CCO)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(CH3)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(H){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[3]C[6]H)(C[5]C[5]H)(CCO){2|O<2>,4|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(CH3){1|C<3>,1|O<2>,2|C<4>}	112.7168	1.109	6	112.7168	1.231	6	112.7168	1.231	6	112.7168	1.231	6	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:4:	3:3:1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]H)(CH3)	C[5](C[5]C[5,6]H)(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(H){1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]H)(CH3){1|O<1>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]H)(C[5]C[5,6]O)(H){1|H<1>,3|C<4>}	114.5140	0.000	1	114.5140	0.000	1	114.5140	0.000	1	109.6290	20.295	3	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:4:	3:3:1:	C[5,6]-4:C[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]H)(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(O){2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<4>,6|H<1>}	C[5](C[5]C[5,6]H)(C[5]C[5,6]O)(H){1|H<1>,3|C<4>}	105.6380	0.000	1	105.6380	0.000	1	107.1865	4.796	2	109.6290	20.295	3	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:4:	3:3:1:	C[5,6]-4:C[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]H)(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(O){2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]H)(C[5]C[5,6]O)(H){1|H<1>,3|C<4>}	108.7350	0.000	1	108.7350	0.000	1	107.1865	4.796	2	109.6290	20.295	3	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:4:	3:3:2:	C[5,6]-4:C[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:O-2:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]H)(C[5]C[5,6]O)(OSi)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(O){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[5,6]H)(C[5]C[5,6]O)(OSi){1|H<1>,3|C<4>}	108.4040	0.000	1	108.4040	0.000	1	108.4040	0.000	1	108.4040	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:4:	3:3:4:	C[5,6]-4:C[5]-3:O-1:	C[3x5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,5]-3:C[5]-3:Si-4:	C[5](C[5,6]C[3x5,6]C[6]C)(C[5]C[5,5]Si)(O)	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[6]C[6]CH)(C[5]C[5]O)(CCHH)	C[5](C[5,5]C[3x5,6]C[5])(C[5]C[5,6]O)(SiC3)	C[5](C[5,6]C[3x5,6]C[6]C)(C[5]C[5,5]Si)(O){1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[6]C[6]CH)(C[5]C[5]O)(CCHH){1|Si<4>,1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,5]C[3x5,6]C[5])(C[5]C[5,6]O)(SiC3){2|H<1>,5|C<4>}	111.2430	0.000	1	111.2430	0.000	1	111.2430	0.000	1	111.2430	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:4:	4:3:1:	C[5,6]-4:C[5]-3:Br-1:	C[6,6]-4:C[5,6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]H)(Br)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]Br)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]Br)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]H)(Br){3|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]Br)(CH3){3|C<4>,8|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]Br)(H){1|H<1>,3|C<4>}	113.3770	0.197	2	113.3770	0.039	2	113.3770	0.039	2	111.7743	1.391	7	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:4:	4:3:1:	C[5,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]H)(CH3)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]H)(H){3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]H)(CH3){3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]H)(H){1|H<1>,1|O<2>,5|C<4>}	111.0065	0.077	2	111.0065	0.006	2	111.0065	0.006	2	111.7743	1.391	7	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:4:	4:3:1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,5,6]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,5,6]H)(H)	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]H)(CH3)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,5,6]H)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]H)(H){1|O<1>,3|H<1>,5|C<4>}	110.4920	0.000	1	110.4920	0.000	1	110.4920	0.000	1	111.7743	1.391	7	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:4:	4:3:1:	C[5,6]-4:C[5]-3:I-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(I)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]I)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]I)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(I){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]I)(CH3){2|C<4>,6|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]I)(H){1|H<1>,3|C<4>}	111.5805	0.513	2	111.5805	0.263	2	111.5805	0.263	2	111.7743	1.391	7	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:4:	4:3:3:	C[5,6]-4:C[5]-3:Br-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(Br)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]Br)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]Br)(CHO)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(Br){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]Br)(CH3){1|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]Br)(CHO){1|H<1>,3|C<4>}	112.2700	0.000	1	112.2700	0.000	1	112.2700	0.000	1	109.3350	7.159	20	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:4:	4:3:3:	C[5,6]-4:C[5]-3:Cl-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(Cl)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]Cl)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]Cl)(CHO)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(Cl){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]Cl)(CH3){1|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]Cl)(CHO){1|H<1>,3|C<4>}	112.5007	0.419	7	112.5007	0.175	7	112.5007	0.175	7	109.3350	7.159	20	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:4:	4:3:3:	C[5,6]-4:C[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(O){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[5]H){1|H<1>,3|C<4>}	108.0900	0.250	2	108.0900	0.063	2	107.2438	0.339	12	109.3350	7.159	20	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:4:	4:3:3:	C[5,6]-4:C[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(O){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]H){1|H<1>,3|C<4>}	107.0771	0.493	9	107.0771	0.243	9	107.2438	0.339	12	109.3350	7.159	20	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:4:	4:3:3:	C[5,6]-4:C[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CHN)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(O){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CHN){1|H<1>,3|C<4>}	107.0520	0.000	1	107.0520	0.000	1	107.2438	0.339	12	109.3350	7.159	20	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:3:4:	4:3:4:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C)(H)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]CH)(C[5]C[5]H)(CCHH)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(CH3)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C)(H){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]CH)(C[5]C[5]H)(CCHH){2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(CH3){1|O<2>,3|C<4>,3|H<1>}	110.1400	0.082	2	110.1400	0.007	2	110.1400	0.007	2	110.1400	0.007	2	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:4:3:	3:2:1:	C[5,6]-4:C[5]-3:O-1:	C[5,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]O[5]O)(O)	C[5,6](C[5,6]C[5,6]O[5]C)(C[5]O[5]HH)(C[6]C[6]HO)(C[5]C[5]O)	C[5](C[5]C[5,6]O)(O[5]C[5])(O)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]O[5]O)(O){1|C<2>,2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5,6]O[5]C)(C[5]O[5]HH)(C[6]C[6]HO)(C[5]C[5]O){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]O)(O[5]C[5])(O){2|C<4>,2|H<1>}	107.5330	0.000	1	107.5330	0.000	1	107.5330	0.000	1	107.5330	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:4:3:	3:3:1:	C[5,6]-4:C[5]-3:Br-1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(Br)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]C[5]Br)	C[5](C[5]C[5,6]Br)(C[5]C[5]C)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(Br){1|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]C[5]Br){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[5,6]Br)(C[5]C[5]C)(H){2|C<4>,2|H<1>}	112.6570	0.000	1	112.6570	0.000	1	112.6570	0.000	1	113.3325	0.913	2	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:4:3:	3:3:1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5,5,6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(C[5]C[5]H)	C[5](C[5]C[5,6]H)(C[5]C[5]O)(H)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]H)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,5,6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(C[5]C[5]H){1|O<1>,3|C<4>,4|H<1>}	C[5](C[5]C[5,6]H)(C[5]C[5]O)(H){1|H<1>,3|C<4>}	114.0080	0.000	1	114.0080	0.000	1	114.0080	0.000	1	113.3325	0.913	2	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:4:3:	3:3:2:	C[5,6]-4:C[5]-3:O-1:	C[5,6]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[5]-3:O-2:	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]O)(O)	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]N[6]HH)(C[5]C[5]O)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5,6]O)(OH)	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]O)(O){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]N[6]HH)(C[5]C[5]O){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5,6]O)(OH){1|C<3>,2|H<1>,4|C<4>}	108.9100	0.000	1	108.9100	0.000	1	108.9100	0.000	1	108.9100	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:4:3:	3:3:4:	C[5,6]-4:C[5]-3:H-1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]C)(H)	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HO)(C[5]C[5]H)	C[5](C[5]C[5,6]H)(C[5]C[5]O)(CH3)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]C)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HO)(C[5]C[5]H){1|O<1>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6]H)(C[5]C[5]O)(CH3){2|C<4>,2|H<1>}	114.1360	0.000	1	114.1360	0.000	1	114.1360	0.000	1	114.1360	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:4:3:	3:4:1:	C[5,6]-4:C[5]-3:H-1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(H)	C[5,6](C[5]C[5]CH)(C[6]C[6]HH)2(C[5]C[5]H)	C[5](C[5]C[5,6]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(H){3|C<4>,7|H<1>}	C[5,6](C[5]C[5]CH)(C[6]C[6]HH)2(C[5]C[5]H){1|C<4>,7|H<1>}	C[5](C[5]C[5,6]H)(C[5]C[5]HH)(H){1|H<1>,3|C<4>}	112.1720	0.000	1	112.1720	0.000	1	112.1720	0.000	1	112.1720	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:1:	4:4:4:3:	3:4:3:	C[5,6]-4:C[5]-3:H-1:	C[6]-4:C[6]-4:S[5]-4:C[5]-3:	C[5]-3:C[5]-4:C-3:	C[5](C[5,6]C[6]2S[5])(C[5]C[5]C)(H)	C[5,6](C[6]C[6a]C[6]H)2(S[5]C[5]OO)(C[5]C[5]H)	C[5](C[5]C[5,6]H)(C[5]S[5]HH)(COO)	C[5](C[5,6]C[6]2S[5])(C[5]C[5]C)(H){2|C<3>,2|C<4>,2|O<1>,4|H<1>}	C[5,6](C[6]C[6a]C[6]H)2(S[5]C[5]OO)(C[5]C[5]H){6|C<3>,6|H<1>}	C[5](C[5]C[5,6]H)(C[5]S[5]HH)(COO){2|C<4>,2|O<1>}	117.7990	0.000	1	117.7990	0.000	1	117.7990	0.000	1	117.7990	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:2:	3:3:3:3:	3:3:3:	C[5,6]-4:C[5]-3:C-2:	C[5,6]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:N[6]-3:	C[5](C[5,6]C[6,6a]C[5,6]C[6])(C[5]C[5,6]N[6])(CN)	C[5,6](C[5,6]C[6,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]C)(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5,6]C)(N[6]C[6]2)	C[5](C[5,6]C[6,6a]C[5,6]C[6])(C[5]C[5,6]N[6])(CN){1|O<1>,3|C<3>,4|C<4>}	C[5,6](C[5,6]C[6,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]C)(C[6]C[6]O){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5,6]C)(N[6]C[6]2){1|S<2>,2|C<4>,3|C<3>,6|H<1>}	110.3890	0.000	1	110.3890	0.000	1	110.3890	0.000	1	110.3890	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:2:	3:3:3:4:	3:3:2:	C[5,6]-4:C[5]-3:N-2:	C[5,6]-3:C[5]-3:C[6]-3:C-4:	C[5]-3:C[5]-3:N[5]-2:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]N[5])(NC[6a])	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]N)(C[6]C[6]H)(CH3)	C[5](C[5]C[5,6a]2)(C[5]C[5,6]N)(N[5]C[5,6])	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]N[5])(NC[6a]){1|H<1>,4|C<3>}	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]N)(C[6]C[6]H)(CH3){2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]2)(C[5]C[5,6]N)(N[5]C[5,6]){1|C<4>,6|C<3>}	104.8990	0.000	1	104.8990	0.000	1	104.8990	0.000	1	104.8990	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:2:	3:4:3:1:	3:2:4:	C[5,6]-4:C[5]-3:C-2:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:C-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]O[5]C)(CN)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]N)(C[5]C[5]C)(H)	C[5](C[5]C[5,6]C)(O[5]C[5,6])(CC3)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]O[5]C)(CN){1|C<4>,1|N<2>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]N)(C[5]C[5]C)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6]C)(O[5]C[5,6])(CC3){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	110.0470	0.000	1	110.0470	0.000	1	110.0470	0.000	1	110.0470	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:2:	3:4:4:3:	3:3:1:	C[5,6]-4:C[5]-3:O-2:	C[6]-3:C[5]-4:C[6]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(OC)	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]O)	C[5](C[5]C[5,6]O)(C[5]C[5]O)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(OC){1|C<3>,1|C<4>,2|O<1>,4|H<1>}	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]O){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]O)(C[5]C[5]O)(H){1|C<3>,1|C<4>,2|H<1>}	114.9870	0.000	1	114.9870	0.000	1	114.9870	0.000	1	114.9870	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:2:	4:3:3:1:	3:2:1:	C[5,6]-4:C[5]-3:C-2:	C[5,6]-4:C[6]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]H)(CN)	C[5,6](C[5,6]C[6]N[5]C)(C[6]C[5]C[6])(C[5]C[5]C)(H)	C[5](C[5]C[5,6]C)(N[5]C[5,6])(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]H)(CN){1|C<4>,3|C<3>}	C[5,6](C[5,6]C[6]N[5]C)(C[6]C[5]C[6])(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|S<2>}	C[5](C[5]C[5,6]C)(N[5]C[5,6])(H){1|C<4>,1|H<1>,2|C<3>}	109.9420	0.000	1	109.9420	0.000	1	109.9420	0.000	1	109.9420	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:2:	4:3:3:1:	4:3:1:	C[5,6]-4:C[5]-3:O-2:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(OC)	C[5,6](C[5,6]C[5,6]C[6a]H)(C[5]C[5]O)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(OC){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6a]H)(C[5]C[5]O)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(H){3|H<1>,4|C<3>}	111.7960	0.294	2	111.7960	0.087	2	111.7960	0.087	2	111.7960	0.087	2	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:2:	4:3:3:2:	3:3:1:	C[5,6]-4:C[5]-3:O-2:	C[6]-4:C[5]-3:N[5]-3:O[6]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]H)(OC)	C[5,6](C[6]C[6]HH)(C[5]C[5]O)(N[5]C[5]H)(O[6]C[6])	C[5](C[5]C[5,6]O)(C[5]N[5]O)(H)	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]H)(OC){1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[6]C[6]HH)(C[5]C[5]O)(N[5]C[5]H)(O[6]C[6]){1|O<1>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]O)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<2>}	111.7530	0.000	1	111.7530	0.000	1	111.7530	0.000	1	111.7530	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:2:	4:4:3:1:	3:3:2:	C[5,6]-4:C[5]-3:C-2:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[6a]-3:O[5]-2:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5])(CN)	C[5,6](C[5,6]C[5a,6]O[5]C)(C[6]C[6a]O[6]H)(C[5]C[5]C)(H)	C[5](C[5]C[5,6]C)(C[6a]C[6a]2)(O[5]C[5,6])	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5])(CN){1|H<1>,1|O<2>,5|C<3>}	C[5,6](C[5,6]C[5a,6]O[5]C)(C[6]C[6a]O[6]H)(C[5]C[5]C)(H){5|C<3>}	C[5](C[5]C[5,6]C)(C[6a]C[6a]2)(O[5]C[5,6]){1|C<4>,3|H<1>,4|C<3>}	108.6070	0.000	1	108.6070	0.000	1	108.6070	0.000	1	108.6070	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:2:	4:4:3:1:	3:3:4:	C[5,6]-4:C[5]-3:S-2:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]C)(SC)	C[5,6](C[5,6]C[6a]C[6]N[5])(C[6]C[6]HH)(C[5]C[5]S)(H)	C[5](C[5]C[5,6]S)(N[5]C[5,6]S)(CH3)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]C)(SC){1|S<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6a]C[6]N[5])(C[6]C[6]HH)(C[5]C[5]S)(H){1|C<4>,1|H<1>,1|O<1>,1|S<4>,3|C<3>}	C[5](C[5]C[5,6]S)(N[5]C[5,6]S)(CH3){1|C<4>,1|H<1>,2|C<3>}	111.6590	0.000	1	111.6590	0.000	1	111.6590	0.000	1	111.6590	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:2:	4:4:3:2:	3:3:3:	C[5,6]-4:C[5]-3:O-2:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(OC)	C[5,6](C[6]C[6]CC)(C[6]C[6]HH)(C[5]C[5]O)(O[5]C[5])	C[5](C[5]C[5,6]O)(C[5]O[5]O)(CCH)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(OC){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[6]C[6]CC)(C[6]C[6]HH)(C[5]C[5]O)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6]O)(C[5]O[5]O)(CCH){2|C<4>}	111.7110	0.000	1	111.7110	0.000	1	111.3160	0.145	3	112.0210	1.139	9	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:2:	4:4:3:2:	3:3:3:	C[5,6]-4:C[5]-3:O-2:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(OC)	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]O)(O[5]C[5])	C[5](C[5]C[5,6]O)(C[5]O[5]O)(CCO)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(OC){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]O)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6]O)(C[5]O[5]O)(CCO){2|C<4>}	111.1185	0.238	2	111.1185	0.057	2	111.3160	0.145	3	112.0210	1.139	9	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:2:	4:4:3:2:	3:3:3:	C[5,6]-4:C[5]-3:O-2:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5])(OC)	C[5,6](C[6]C[6]HH)2(C[5]C[5]O)(O[5]C[5])	C[5](C[5]C[5,6]O)(C[6a]C[6a]2)(C[5]O[5]O)	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5])(OC){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6]C[6]HH)2(C[5]C[5]O)(O[5]C[5]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5](C[5]C[5,6]O)(C[6a]C[6a]2)(C[5]O[5]O){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	112.3735	1.148	6	112.3735	1.317	6	112.3735	1.317	6	112.0210	1.139	9	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:2:	4:4:3:2:	3:3:4:	C[5,6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]C)(OH)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(C[5]C[5]O)(O[5]C[5])	C[5](C[5]C[5,6]O)(C[5]O[5]O)(CH3)	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]C)(OH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(C[5]C[5]O)(O[5]C[5]){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[5](C[5]C[5,6]O)(C[5]O[5]O)(CH3){2|C<4>}	111.3850	0.000	1	111.3850	0.000	1	111.3850	0.000	1	113.2897	2.728	3	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:2:	4:4:3:2:	3:3:4:	C[5,6]-4:C[5]-3:O-2:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(OC)	C[5,6](C[6]C[6]HH)2(C[5]C[5]O)(O[5]C[5])	C[5](C[5]C[5,6]O)(C[5]O[5]O)(CC3)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(OC){1|O<1>,2|C<4>,4|H<1>}	C[5,6](C[6]C[6]HH)2(C[5]C[5]O)(O[5]C[5]){1|O<1>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]O)(C[5]O[5]O)(CC3){2|C<4>}	114.2420	0.122	2	114.2420	0.015	2	114.2420	0.015	2	113.2897	2.728	3	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:2:	4:4:3:2:	4:3:1:	C[5,6]-4:C[5]-3:N-2:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:O-1:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O)(NN)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]N)(OH)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]N)(O)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O)(NN){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]N)(OH){1|C<4>,1|O<1>,6|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]N)(O){1|C<3>,1|O<2>,2|C<4>}	113.9030	0.000	1	113.9030	0.000	1	113.8445	0.007	2	113.8445	0.007	2	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:2:	4:4:3:2:	4:3:1:	C[5,6]-4:C[5]-3:N-2:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:O-1:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O)(NN)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HO)(C[5]C[5]N)(OH)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]N)(O)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O)(NN){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HO)(C[5]C[5]N)(OH){1|C<4>,1|O<1>,6|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]N)(O){1|C<3>,1|O<2>,2|C<4>}	113.7860	0.000	1	113.7860	0.000	1	113.8445	0.007	2	113.8445	0.007	2	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:2:	4:4:3:2:	4:3:2:	C[5,6]-4:C[5]-3:Se-2:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5]-4:C[5]-3:Se-2:	C[5](C[5,6]C[6]2O[5])(C[5]C[5]Se)(SeC[6a])	C[5,6](C[6]C[6]HH)2(C[5]C[5]Se)(O[5]C[5])	C[5](C[5]C[6a]O[5]H)(C[5]C[5,6]Se)(SeC[6a])	C[5](C[5,6]C[6]2O[5])(C[5]C[5]Se)(SeC[6a]){1|C<3>,2|C<4>,5|H<1>}	C[5,6](C[6]C[6]HH)2(C[5]C[5]Se)(O[5]C[5]){1|Se<2>,1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5,6]Se)(SeC[6a]){2|C<3>,2|C<4>}	111.0340	0.000	1	111.0340	0.000	1	111.0340	0.000	1	111.0340	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:2:	4:4:3:3:	3:3:3:	C[5,6]-4:C[5]-3:O-2:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5,6]C[6]2N[5])(C[5]C[6a]C[5])(OC)	C[5,6](C[6]C[6]HH)2(C[5]C[5]O)(N[5]C[5]H)	C[5](C[5]C[5,6]O)(C[6a]C[6a]2)(C[5]N[5]O)	C[5](C[5,6]C[6]2N[5])(C[5]C[6a]C[5])(OC){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[6]C[6]HH)2(C[5]C[5]O)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5](C[5]C[5,6]O)(C[6a]C[6a]2)(C[5]N[5]O){2|C<3>,2|H<1>,3|C<4>}	114.3900	0.000	1	114.3900	0.000	1	114.3900	0.000	1	114.3900	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:2:	4:4:3:4:	4:3:1:	C[5,6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(OS)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(OS){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,6|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H){1|H<1>,3|C<4>}	114.5140	0.000	1	114.5140	0.000	1	114.5140	0.000	1	114.5140	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	2:3:3:1:	4:3:1:	C[5,6]-4:C[5]-3:C-3:	O[5,6]-2:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(CC[6a]O)	C[5,6](O[5,6]C[5,6])(C[5]C[5]C)(C[6]C[6]H)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(CC[6a]O){1|C<3>,1|C<4>,2|H<1>}	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[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C)(H){1|O<2>,2|C<3>,2|H<1>}	106.5040	0.000	1	106.5040	0.000	1	106.5040	0.000	1	106.5040	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	2:4:3:1:	4:3:1:	C[5,6]-4:C[5]-3:C-3:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(COO)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(COO){1|C<3>,1|C<4>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	107.4040	0.000	1	107.4040	0.000	1	107.4040	0.000	1	107.4040	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	3:2:3:4:	4:3:1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5]-3:O[5,6]-2:C[6]-3:C-4:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[5,6](C[5]C[6a]C[5])(O[5,6]C[5,6])(C[6]C[6]H)(CCHN)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6a])(H)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(C[6a]C[6a]2){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	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[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6a])(H){1|C<4>,1|O<1>,4|C<3>}	105.3950	0.000	1	106.1790	1.229	2	106.1790	1.229	2	106.1790	1.229	2	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	3:2:3:4:	4:3:1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5]-3:O[5,6]-2:C[6]-3:C-4:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[5,6](C[5]C[6a]C[5])(O[5,6]C[5,6])(C[6]C[6]H)(CCHN)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6a])(H)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	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[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6a])(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	106.9630	0.000	1	106.1790	1.229	2	106.1790	1.229	2	106.1790	1.229	2	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	3:3:3:1:	3:3:3:	C[5,6]-4:C[5]-3:C-3:	C[6,6a]-3:N[5,6]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-3:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]C)(COO)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]C)(H)	C[5](C[5]C[5,6]C)(N[5]N[5,6]C)(CCH)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]C)(COO){1|C<4>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]C)(H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6]C)(N[5]N[5,6]C)(CCH){1|C<3>,1|C<4>,1|H<1>}	107.8800	0.000	1	107.8800	0.000	1	107.8800	0.000	1	107.8800	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	3:3:3:1:	4:3:1:	C[5,6]-4:C[5]-3:C-3:	C[6,6a]-3:N[5,6]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]H)(COO)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]C[5]C)(H)	C[5](C[5]N[5,6]HH)(C[5]C[5,6]C)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]H)(COO){1|S<4>,2|C<3>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]C[5]C)(H){1|O<2>,2|C<3>,2|O<1>,4|H<1>}	C[5](C[5]N[5,6]HH)(C[5]C[5,6]C)(H){1|C<3>,1|H<1>,1|S<4>}	111.4980	0.262	2	111.4980	0.068	2	111.4980	0.068	2	110.7177	1.861	3	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	3:3:3:1:	4:3:1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6]-3:C[5,6]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5,6]C)(C[5]C[6a]C[5])(H)	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5,6]C[6a])(H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5,6]C)(C[5]C[6a]C[5])(H){1|H<1>,2|C<4>,5|C<3>}	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5,6]C[6a])(H){2|H<1>,8|C<3>}	109.1570	0.000	1	109.1570	0.000	1	109.1570	0.000	1	110.7177	1.861	3	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	3:3:3:1:	4:3:3:	C[5,6]-4:C[5]-3:C-3:	N[5,6,6]-3:C[6,6a]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5](C[5,6]N[5,6,6]C[6,6a]H)(C[5]C[5,6]C)(COO)	C[5,6](N[5,6,6]C[6,6,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]C)(H)	C[5](C[5,6]N[5,6,6]C[6,6a]H)(C[5]C[5,6]C)(COO)	C[5](C[5,6]N[5,6,6]C[6,6a]H)(C[5]C[5,6]C)(COO){1|H<1>,4|C<3>}	C[5,6](N[5,6,6]C[6,6,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]C)(H){2|H<1>,6|C<3>}	C[5](C[5,6]N[5,6,6]C[6,6a]H)(C[5]C[5,6]C)(COO){1|H<1>,4|C<3>}	108.1180	0.279	2	108.1180	0.078	2	108.1180	0.078	2	108.1180	0.078	2	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	3:3:3:2:	3:3:1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6]-3:C[6]-3:N[5]-2:	C[5]-3:C[5]-3:I-1:	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]I)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(N[5]C[5])	C[5](C[5]C[5,6]C[6a])(C[5]N[5]C)(I)	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]I){1|C<4>,4|C<3>,4|H<1>}	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[5](C[5]C[5,6]C[6a])(C[5]N[5]C)(I){4|C<3>}	106.6250	0.000	1	106.6250	0.000	1	106.6250	0.000	1	106.6250	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	3:3:3:2:	3:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6]-3:C[6]-3:O[5]-2:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(O[5]C[5])	C[5](C[5]C[5,6]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,4|H<1>,6|C<3>}	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[5](C[5]C[5,6]C[6a])(C[6a]C[6a]2)(C[5]O[5]O){2|H<1>,6|C<3>}	109.3657	0.270	3	109.3657	0.073	3	109.3657	0.073	3	109.3657	0.073	3	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	3:3:3:3:	3:2:3:	C[5,6]-4:C[5]-3:C-3:	N[5,6]-3:C[6a]-3:C[5]-3:C[6]-3:	C[5]-3:O[5]-2:C-3:	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5]O[5]C)(COO)	C[5,6](N[5,6]C[6]O[5])(C[6a]C[6a]2)(C[5]C[5]C)(C[6]O[6]O)	C[5](C[5]C[5,6]C)(O[5]N[5,6])(COO)	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5]O[5]C)(COO){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[5,6](N[5,6]C[6]O[5])(C[6a]C[6a]2)(C[5]C[5]C)(C[6]O[6]O){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6]C)(O[5]N[5,6])(COO){1|C<4>,2|C<3>}	108.2770	0.000	1	108.2770	0.000	1	108.2770	0.000	1	107.1085	2.731	2	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	3:3:3:3:	3:2:3:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[5]-3:N[5]-2:N-3:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]N)	C[5,6](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6]C[6]H)(C[6]C[6]O)	C[5](C[5]C[5,6]C[6a])(N[5]C[5])(NCS)	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]N){1|O<1>,3|H<1>,5|C<3>}	C[5,6](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6]C[6]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[5](C[5]C[5,6]C[6a])(N[5]C[5])(NCS){5|C<3>}	105.9400	0.000	1	105.9400	0.000	1	105.9400	0.000	1	107.1085	2.731	2	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6a]-3:C[5]-3:I-1:	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]I)(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]C)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(I)	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]I)(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]C)2{1|I<1>,3|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(I){1|H<1>,6|C<3>}	109.1630	0.209	2	109.1630	0.044	2	109.1630	0.044	2	110.4777	3.453	9	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[5]-3:N-3:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]H)(NC[6a]S)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(C[6]C[6]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]N)(H)	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]H)(NC[6a]S){2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(C[6]C[6]H)2{3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]N)(H){1|H<1>,4|C<3>}	112.3095	0.918	4	112.3095	0.842	4	112.3095	0.842	4	110.4777	3.453	9	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]C[5]H)	C[5,6](C[5]C[6a]C[5])(C[5]C[5]N)(C[6]C[6]H)(C[6]C[6]O)	C[5](C[5]C[5,6]C[6a])(C[5]C[5]C)(H)	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,6](C[5]C[6a]C[5])(C[5]C[5]N)(C[6]C[6]H)(C[6]C[6]O){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6]C[6a])(C[5]C[5]C)(H){1|N<3>,4|C<3>}	109.6240	0.000	1	109.6240	0.000	1	109.6240	0.000	1	110.4777	3.453	9	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6]-3:C[6]-3:N[5]-3:	C[5]-3:C[5]-3:I-1:	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]I)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]Cl)(C[6]C[6]H)(N[5]C[5]C)	C[5](C[5]C[5,6]C[6a])(C[5]N[5]O)(I)	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]I){1|Cl<1>,1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5,6](C[5]C[6a]C[5])(C[6]C[6]Cl)(C[6]C[6]H)(N[5]C[5]C){1|I<1>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6]C[6a])(C[5]N[5]O)(I){1|C<4>,4|C<3>}	108.3920	0.000	1	108.3920	0.000	1	108.3920	0.000	1	110.4777	3.453	9	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[5]-3:	N[5,6]-3:C[5]-3:C[6a]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]N[5,6]C[6a]C[6])(C[6a]C[6a]2)(C[5]C[5]H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)(C[6]N[6]O)	C[5](C[5]C[5,6]C[6a])(C[5]N[5,6]O)(H)	C[5](C[5,6]N[5,6]C[6a]C[6])(C[6a]C[6a]2)(C[5]C[5]H){1|N<3>,2|H<1>,2|O<1>,5|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)(C[6]N[6]O){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[5](C[5]C[5,6]C[6a])(C[5]N[5,6]O)(H){5|C<3>}	108.7190	0.000	1	108.7190	0.000	1	108.7190	0.000	1	110.4777	3.453	9	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	3:3:3:3:	3:3:2:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6]-3:C[6]-3:N[5]-3:	C[5]-3:C[5]-3:Se-2:	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]Se)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]C)	C[5](C[5]C[5,6]C[6a])(C[5]N[5]O)(SeC[6a])	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]Se){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]C){1|Se<2>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6]C[6a])(C[5]N[5]O)(SeC[6a]){1|C<4>,4|C<3>}	108.7080	0.711	2	108.7080	0.506	2	108.6647	0.259	3	108.6647	0.259	3	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	3:3:3:3:	3:3:2:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6]-3:C[6]-3:N[5]-3:	C[5]-3:C[5]-3:Se-2:	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]Se)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(N[5]C[5]C)	C[5](C[5]C[5,6]C[6a])(C[5]N[5]O)(SeC[6a])	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]Se){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(N[5]C[5]C){1|Se<2>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6]C[6a])(C[5]N[5]O)(SeC[6a]){1|C<4>,4|C<3>}	108.5780	0.000	1	108.5780	0.000	1	108.6647	0.259	3	108.6647	0.259	3	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[5]-3:C[5a]-3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C[5a]-3:	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[5a])(C[5a]C[5a]S[5a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5])(C[6]C[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5a])(C[5a]C[5a]S[5a])	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[5a])(C[5a]C[5a]S[5a]){1|S<2>,2|H<1>,8|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5])(C[6]C[6]H){1|S<2>,3|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5a])(C[5a]C[5a]S[5a]){1|S<2>,2|H<1>,7|C<3>}	110.2020	0.000	1	110.2020	0.000	1	110.2020	0.000	1	109.5415	0.823	19	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[5]-3:C[5a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[5a]-3:	C[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]C[5a])(C[5a]C[5a]N[5a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(C[5]C[5a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5a])(C[5a]C[5a]N[5a])	C[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]C[5a])(C[5a]C[5a]N[5a]){1|C<4>,1|N<2>,1|S<2>,8|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(C[5]C[5a]C[5]){1|N<2>,1|N<3>,3|H<1>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5a])(C[5a]C[5a]N[5a]){1|C<4>,1|H<1>,1|N<2>,1|S<2>,6|C<3>}	110.7200	0.000	1	110.7200	0.000	1	110.7200	0.000	1	109.5415	0.823	19	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6,6a]O)(C[6]N[6]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|N<3>,2|H<1>,2|O<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6,6a]O)(C[6]N[6]O){1|C<4>,1|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	111.0510	0.000	1	111.0510	0.000	1	111.0510	0.000	1	109.5415	0.823	19	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:N[6]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6a]C[6]N[6])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(N[6]C[6,6a]H)(C[6]N[6]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	C[5](C[5,6]C[5,6a]C[6]N[6])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(N[6]C[6,6a]H)(C[6]N[6]O){1|C<4>,1|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	110.9870	0.000	1	110.9870	0.000	1	110.9870	0.000	1	109.5415	0.823	19	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|O<1>,2|H<1>,9|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]O){3|H<1>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	110.6555	0.381	2	110.6555	0.145	2	110.6555	0.145	2	109.5415	0.823	19	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,6](C[5]C[6a]C[5])2(C[6]C[6,6a]O)(C[6]O[6]O)	C[5](C[5]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<2>,2|H<1>,2|O<1>,7|C<3>}	C[5,6](C[5]C[6a]C[5])2(C[6]C[6,6a]O)(C[6]O[6]O){8|C<3>}	C[5](C[5]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,9|C<3>}	108.5460	1.006	2	108.5460	1.011	2	108.9360	0.368	6	109.5415	0.823	19	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,6](C[5]C[6a]C[5])2(C[6]C[6]H)(C[6]C[6]N)	C[5](C[5]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<2>,3|H<1>,8|C<3>}	C[5,6](C[5]C[6a]C[5])2(C[6]C[6]H)(C[6]C[6]N){2|H<1>,7|C<3>}	C[5](C[5]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,9|C<3>}	109.1310	0.353	4	109.1310	0.124	4	108.9360	0.368	6	109.5415	0.823	19	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,6](C[5]C[6a]C[5])(C[5]C[5]C)(C[6]C[6]H)(C[6]C[6]O)	C[5](C[5]C[5,6]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	C[5,6](C[5]C[6a]C[5])(C[5]C[5]C)(C[6]C[6]H)(C[6]C[6]O){3|H<1>,4|C<3>}	C[5](C[5]C[5,6]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,2|H<1>,6|C<3>}	109.3480	0.052	2	109.3480	0.003	2	109.3480	0.003	2	109.5415	0.823	19	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[6,6a]-3:C[5]-3:C[5]-3:C[6]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])2(C[6]C[6]N)	C[5](C[5]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<2>,2|H<1>,9|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])2(C[6]C[6]N){2|H<1>,9|C<3>}	C[5](C[5]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,9|C<3>}	108.9510	0.010	2	108.9510	0.000	2	108.9412	0.017	5	109.5415	0.823	19	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[6,6a]-3:C[5]-3:C[5]-3:C[6]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])2(C[6]C[6]O)	C[5](C[5]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,9|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])2(C[6]C[6]O){2|H<1>,9|C<3>}	C[5](C[5]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,9|C<3>}	108.9347	0.181	3	108.9347	0.033	3	108.9412	0.017	5	109.5415	0.823	19	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	3:3:3:3:	3:3:4:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6,6a]O)(C[6]N[6]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(CC3)	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,2|O<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6,6a]O)(C[6]N[6]O){1|H<1>,2|C<4>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(CC3){1|H<1>,6|C<3>}	111.4460	0.000	1	111.4460	0.000	1	111.0850	0.261	2	110.4681	1.559	10	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	3:3:3:3:	3:3:4:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(CC[5]HH)	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]C)(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]H)2{1|C<4>,3|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(CC[5]HH){1|H<1>,6|C<3>}	110.7240	0.000	1	110.7240	0.000	1	111.0850	0.261	2	110.4681	1.559	10	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	3:3:3:3:	3:3:4:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(CH3)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C)(C[6a]C[6a]2){1|O<1>,2|H<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]O){1|Br<1>,1|C<4>,2|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(CH3){1|H<1>,6|C<3>}	109.7350	0.058	2	110.8590	3.792	3	110.8590	3.792	3	110.4681	1.559	10	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	3:3:3:3:	3:3:4:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(CH3)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C)(C[6a]C[6a]2){1|O<1>,2|H<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]O){1|C<4>,3|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(CH3){1|H<1>,6|C<3>}	113.1070	0.000	1	110.8590	3.792	3	110.8590	3.792	3	110.4681	1.559	10	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	3:3:3:3:	3:3:4:	C[5,6]-4:C[5]-3:N-3:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]C)(NCS)	C[5,6](C[5]C[6a]C[5])(C[5]C[5]N)(C[6]C[6]H)(C[6]C[6]O)	C[5](C[5]C[5,6]N)(C[5]C[5]H)(CCHH)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]C)(NCS){1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5]C[6a]C[5])(C[5]C[5]N)(C[6]C[6]H)(C[6]C[6]O){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6]N)(C[5]C[5]H)(CCHH){3|C<3>}	111.1050	0.000	1	111.1050	0.000	1	111.1050	0.000	1	110.4681	1.559	10	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	3:3:3:3:	3:3:4:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6]-3:C[6]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]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]C)	C[5](C[5]C[5,6]C[6a])(C[5]N[5]O)(CC[5]HH)	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(N[5]C[5]C){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6]C[6a])(C[5]N[5]O)(CC[5]HH){1|C<4>,4|C<3>}	110.4600	0.000	1	110.4600	0.000	1	110.4600	0.000	1	110.4681	1.559	10	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	3:3:3:3:	3:3:4:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6]-3:C[6]-3:N[5]-3:	C[5]-3:C[5]-3:P-4:	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]P)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(N[5]C[5]C)	C[5](C[5]C[5,6]C[6a])(C[5]N[5]O)(PO3)	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]P){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(N[5]C[5]C){1|O<1>,1|P<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6]C[6a])(C[5]N[5]O)(PO3){1|C<4>,4|C<3>}	109.9445	0.244	2	109.9445	0.060	2	109.9445	0.060	2	110.4681	1.559	10	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	3:3:3:3:	3:3:4:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6]-3:C[6]-3:N[5]-3:	C[5]-3:C[5]-3:S-4:	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]S)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(N[5]C[5]C)	C[5](C[5]C[5,6]C[6a])(C[5]N[5]O)(SC[6a]OO)	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]S){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(N[5]C[5]C){1|O<1>,1|S<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6]C[6a])(C[5]N[5]O)(SC[6a]OO){1|C<4>,4|C<3>}	108.4800	0.000	1	108.4800	0.000	1	108.4800	0.000	1	110.4681	1.559	10	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	3:3:3:4:	4:3:1:	C[5,6]-4:C[5]-3:C-3:	C[6,6a]-3:N[5,6]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6]C[6,6a]N[5,6]C)(C[5]C[5]H)(COO)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]C)(CF3)	C[5](C[5]N[5,6]HH)(C[5]C[5,6]C)(H)	C[5](C[5,6]C[6,6a]N[5,6]C)(C[5]C[5]H)(COO){2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]C)(CF3){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]N[5,6]HH)(C[5]C[5,6]C)(H){1|C<4>,2|C<3>}	109.6680	0.000	2	109.6680	0.000	2	109.6680	0.000	2	109.6680	0.000	2	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	3:3:4:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5,6]-3:C[5]-3:C[6]-4:H-1:	C[5]-3:C[5]-3:F-1:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]F)	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]HH)(H)	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]C)(F)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]F){2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]HH)(H){1|F<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]C)(F){1|H<1>,2|C<3>,2|C<4>}	105.0610	0.000	1	105.0610	0.000	1	105.0610	0.000	1	105.0610	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	3:3:4:2:	3:3:1:	C[5,6]-4:C[6a]-3:C[5]-3:	N[5,6]-3:C[5]-3:C[6]-4:O-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]N[5,6]C[6]O)(C[6a]C[6a]2)(C[5]C[5]H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]CC)(OH)	C[5](C[5]C[5,6]C[6a])(C[5]N[5,6]O)(H)	C[5](C[5,6]N[5,6]C[6]O)(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,4|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]CC)(OH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5](C[5]C[5,6]C[6a])(C[5]N[5,6]O)(H){1|O<2>,2|C<3>,2|C<4>}	109.4057	0.006	3	109.4057	0.000	3	109.4057	0.000	3	109.4057	0.000	3	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	3:3:4:2:	3:3:2:	C[5,6]-4:C[5]-3:N[6]-3:	C[5]-3:C[6]-3:C[6]-4:O[5]-2:	C[5]-3:C[5]-3:C-2:	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(N[6]C[6]2)	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[5](C[5]C[5,6]N[6])(C[5]O[5]O)(CN)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(N[6]C[6]2){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	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[5](C[5]C[5,6]N[6])(C[5]O[5]O)(CN){1|C<3>,3|C<4>}	107.4540	0.000	1	107.4540	0.000	1	107.4540	0.000	1	107.4540	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	3:3:4:3:	3:3:1:	C[5,6]-4:C[5]-3:C-3:	N[5,5,6]-3:C[6a]-3:C[6]-4:C[5]-3:	N[5,5]-3:C[5]-3:H-1:	C[5](C[5,6]N[5,5,6]C[6a]C[6])(C[5]N[5,5]H)(CCO)	C[5,6](N[5,5,6]C[5,6]N[5,5])(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]C[5]C)	C[5](N[5,5]N[5,5,6]C[5])(C[5]C[5,6]C)(H)	C[5](C[5,6]N[5,5,6]C[6a]C[6])(C[5]N[5,5]H)(CCO){2|C<4>,2|H<1>,3|C<3>}	C[5,6](N[5,5,6]C[5,6]N[5,5])(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]C[5]C){2|C<4>,3|C<3>,6|H<1>}	C[5](N[5,5]N[5,5,6]C[5])(C[5]C[5,6]C)(H){1|C<3>,1|O<1>,3|C<4>}	108.6540	0.000	1	108.6540	0.000	1	108.6540	0.000	1	108.6540	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	3:3:4:3:	3:3:3:	C[5,6]-4:C[5]-3:C-3:	C[6,6a]-3:C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a])(COO)	C[5,6](C[6,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]2)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a])(COO){1|C<4>,2|H<1>,6|C<3>}	C[5,6](C[6,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]C){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]2){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	111.2750	0.000	1	111.2750	0.000	1	111.2750	0.000	1	110.0125	3.188	2	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	3:3:4:3:	3:3:3:	C[5,6]-4:C[5]-3:C-3:	N[5,5,6]-3:C[6a]-3:C[6]-4:C[5]-3:	N[5,5]-3:C[5]-3:C-3:	C[5](C[5,6]N[5,5,6]C[6a]C[6])(C[5]N[5,5]C)(COO)	C[5,6](N[5,5,6]C[5,6]N[5,5])(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]C[5]C)	C[5](N[5,5]N[5,5,6]C[5])(C[5]C[5,6]C)(COO)	C[5](C[5,6]N[5,5,6]C[6a]C[6])(C[5]N[5,5]C)(COO){2|C<4>,2|H<1>,3|C<3>}	C[5,6](N[5,5,6]C[5,6]N[5,5])(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]C[5]C){2|C<4>,4|C<3>,5|H<1>}	C[5](N[5,5]N[5,5,6]C[5])(C[5]C[5,6]C)(COO){1|C<3>,1|O<1>,3|C<4>}	108.7500	0.000	1	108.7500	0.000	1	108.7500	0.000	1	110.0125	3.188	2	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	3:3:4:4:	3:3:4:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6]-3:C[5]-3:C[6]-4:C-4:	C[5]-3:C[5]-3:C[6]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C[6])(C[6a]C[6a]2)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[6a]C[5])(C[6]C[6,6]HH)(CCHO)	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]C[6])(C[6]C[6]2H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C[6])(C[6a]C[6a]2){2|C<3>,5|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[6a]C[5])(C[6]C[6,6]HH)(CCHO){2|C<3>,2|H<1>,5|C<4>}	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]C[6])(C[6]C[6]2H){2|C<3>,5|H<1>,7|C<4>}	109.3570	0.000	1	109.3570	0.000	1	109.3570	0.000	1	109.3570	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	3:4:3:1:	3:3:3:	C[5,6]-4:C[5]-3:C-3:	C[5,6,6a]-3:C[6]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]C[6a])(COO)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]2)	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]C[6a])(COO){1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	110.6160	0.095	2	110.6160	0.009	2	110.6160	0.009	2	110.6160	0.009	2	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	3:4:3:1:	4:3:2:	C[5,6]-4:C[5]-3:N-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-2:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]C)(NHH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]N)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]N)(CN)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]C)(NHH){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]N)(H){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]N)(CN){1|C<4>,2|H<1>,3|C<3>}	110.0410	0.000	1	110.0410	0.000	1	110.0410	0.000	1	110.0410	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	3:4:3:1:	4:3:3:	C[5,6]-4:C[5]-3:C-3:	N[5,6,6]-3:C[6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5]-3:C[6a]-3:	C[5](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,6,6]C[6a])(COO)	C[5,6](N[5,6,6]C[5,6,6]C[6])(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5](C[5,6,6]N[5,6,6]C[6]2)(C[5]C[5,6]C)(C[6a]C[6a]2)	C[5](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,6,6]C[6a])(COO){2|C<4>,2|H<1>,4|C<3>}	C[5,6](N[5,6,6]C[5,6,6]C[6])(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6,6]N[5,6,6]C[6]2)(C[5]C[5,6]C)(C[6a]C[6a]2){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	111.0040	0.000	1	111.0040	0.000	1	111.0040	0.000	1	111.0040	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	3:4:3:2:	3:3:3:	C[5,6]-4:C[5]-3:C-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:O[5]-2:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6]C[6,6a]C[5,6]O[5])(C[5]C[5]C)(COO)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(C[5]C[5]C)(O[5]C[5])	C[5](C[5]C[5,6]C)(C[5]O[5]N)(COO)	C[5](C[5,6]C[6,6a]C[5,6]O[5])(C[5]C[5]C)(COO){1|N<2>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(C[5]C[5]C)(O[5]C[5]){1|H<1>,1|N<2>,1|O<2>,6|C<3>}	C[5](C[5]C[5,6]C)(C[5]O[5]N)(COO){1|C<3>,1|C<4>}	110.1260	0.000	1	110.1260	0.000	1	110.1260	0.000	1	110.1260	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	3:4:3:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6]-4:C[6]-3:N[5]-3:	C[5]-3:C[5]-3:Br-1:	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]Br)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]HO)(C[6]C[6]H)(N[5]C[5]C)	C[5](C[5]C[5,6]C[6a])(C[5]N[5]O)(Br)	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]Br){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[5,6](C[5]C[6a]C[5])(C[6]C[6]HO)(C[6]C[6]H)(N[5]C[5]C){1|Br<1>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6]C[6a])(C[5]N[5]O)(Br){2|C<4>,3|C<3>}	109.2810	0.000	1	109.2810	0.000	1	109.2810	0.000	1	109.2810	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	3:4:3:3:	3:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6]-3:C[6]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HO)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,6]C[6a])2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<2>,3|H<1>,9|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HO)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	C[5](C[5]C[5,6]C[6a])2(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	109.4540	0.000	1	109.4540	0.000	1	109.4540	0.000	1	109.4540	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	3:4:3:4:	3:4:4:	C[5,6]-4:C[6a]-3:C[5]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:C-4:	C[5]-3:C[5]-4:C-4:	C[5](C[5,6]C[6,6a]C[5,6]C)(C[6a]C[6a]2)(C[5]C[5]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(CCHH)	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]CH)(CH3)	C[5](C[5,6]C[6,6a]C[5,6]C)(C[6a]C[6a]2)(C[5]C[5]C){2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(CCHH){3|C<4>,4|C<3>,4|H<1>}	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]CH)(CH3){1|H<1>,2|C<4>,3|C<3>}	111.9860	0.000	1	111.9860	0.000	1	111.9860	0.000	1	111.9860	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	3:4:4:2:	3:4:4:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6]-4:C[6]-4:O[5]-2:	C[5]-3:P[5]-4:C-4:	C[5](C[5,6]C[6]2O[5])(C[6a]C[6a]2)(C[5]P[5]C)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]HH)2(O[5]P[5])	C[5](C[5]C[5,6]C[6a])(P[5]O[5]OO)(CH3)	C[5](C[5,6]C[6]2O[5])(C[6a]C[6a]2)(C[5]P[5]C){1|O<1>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5]C[6a]C[5])(C[6]C[6]HH)2(O[5]P[5]){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]C[6a])(P[5]O[5]OO)(CH3){2|C<3>,2|C<4>}	115.1790	0.000	1	115.1790	0.000	1	115.1790	0.000	1	115.1790	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:2:3:1:	4:3:1:	C[5,6]-4:C[5]-3:C-3:	C[6]-4:O[5,6]-2:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(COO)	C[5,6](C[6]C[6,6]HH)(O[5,6]C[5,6])(C[5]C[5]C)(H)	C[5](C[5,6]C[6,6]O[5,6]O)(C[5]C[5,6]C)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(COO){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[6]C[6,6]HH)(O[5,6]C[5,6])(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,6]C[6,6]O[5,6]O)(C[5]C[5,6]C)(H){1|H<1>,4|C<4>}	107.4770	0.000	1	107.4770	0.000	1	107.4770	0.000	1	107.4770	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:3:2:3:	4:3:1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[6]-4:C[5]-3:O[5,6]-2:C[6a]-3:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]O[5,6]C[6a]C[6])(C[5]C[5,6]H)(C[6a]C[6a]2)	C[5,6](C[6]C[6,6a]Cl2)(C[5]C[6a]C[5])(O[5,6]C[5,6])(C[6a]C[6a]2)	C[5](C[5,6]C[6,6a]O[5,6]C)(C[5]C[5,6]C[6a])(H)	C[5](C[5,6]O[5,6]C[6a]C[6])(C[5]C[5,6]H)(C[6a]C[6a]2){2|Cl<1>,1|C<4>,2|H<1>,6|C<3>}	C[5,6](C[6]C[6,6a]Cl2)(C[5]C[6a]C[5])(O[5,6]C[5,6])(C[6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	C[5](C[5,6]C[6,6a]O[5,6]C)(C[5]C[5,6]C[6a])(H){1|C<4>,5|C<3>}	107.0770	0.175	2	107.0770	0.031	2	107.0770	0.031	2	107.0770	0.031	2	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:3:3:1:	3:2:1:	C[5,6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6]-3:C[5]-3:H-1:	C[5]-3:S[5]-2:O-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O[5])(C[5]S[5]O)	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]Cl)(C[5]C[5]2)(H)	C[5](C[5]C[5,6]C[5])(S[5]C[5,6])(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O[5])(C[5]S[5]O){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]Cl)(C[5]C[5]2)(H){2|Cl<1>,1|C<3>,1|N<3>,1|O<1>,1|O<2>}	C[5](C[5]C[5,6]C[5])(S[5]C[5,6])(O){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	115.2190	0.000	1	115.2190	0.000	1	115.2190	0.000	1	115.2190	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:3:3:1:	3:2:3:	C[5,6]-4:C[5]-3:C-3:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5]-3:O[5]-2:C-3:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]C)(COO)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]C)(C[6]C[6]H)(H)	C[5](C[5]C[5,6]C)(O[5]C[5,6])(COO)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]C)(COO){2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]C)(C[6]C[6]H)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5,6]C)(O[5]C[5,6])(COO){2|C<3>,2|H<1>}	108.5130	0.000	1	108.5130	0.000	1	108.5130	0.000	1	108.5130	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:3:3:1:	3:3:1:	C[5,6]-4:C[5]-3:N[5]-3:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]H)(N[5]C[5]2)	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]N[5])(C[6]C[6]H)(H)	C[5](C[5]C[5,6]N[5])(N[5]C[5,6]S)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]H)(N[5]C[5]2){1|C<4>,1|H<1>,1|S<4>,2|O<1>,4|C<3>}	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]N[5])(C[6]C[6]H)(H){1|S<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6]N[5])(N[5]C[5,6]S)(H){1|C<4>,1|H<1>,4|C<3>}	112.0040	0.000	1	112.0040	0.000	1	111.8530	0.046	2	111.8530	0.046	2	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:3:3:1:	3:3:1:	C[5,6]-4:C[5]-3:N[5]-3:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]H)(N[5]C[5]2)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]N[5])(C[6]C[6]H)(H)	C[5](C[5]C[5,6]N[5])(N[5]C[5,6]S)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]H)(N[5]C[5]2){1|S<4>,2|H<1>,2|O<1>,4|C<3>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]N[5])(C[6]C[6]H)(H){1|S<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6]N[5])(N[5]C[5,6]S)(H){2|H<1>,4|C<3>}	111.7020	0.000	1	111.7020	0.000	1	111.8530	0.046	2	111.8530	0.046	2	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:3:3:1:	3:3:4:	C[5,6]-4:C[5]-3:C-3:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C[6])(CCO)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]2)(H)	C[5](C[5]C[5,6]C)(C[5]C[5,6]O)(C[6]C[6]2H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C[6])(CCO){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]2)(H){1|O<1>,2|C<4>,4|C<3>}	C[5](C[5]C[5,6]C)(C[5]C[5,6]O)(C[6]C[6]2H){2|H<1>,3|C<4>,4|C<3>}	113.0875	0.080	2	113.0440	0.009	3	113.0440	0.009	3	113.0440	0.009	3	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:3:3:1:	3:3:4:	C[5,6]-4:C[5]-3:C-3:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C[6])(CCO)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]2)(H)	C[5](C[5]C[5,6]C)(C[5]C[5,6]O)(C[6]C[6]2H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C[6])(CCO){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]2)(H){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[5](C[5]C[5,6]C)(C[5]C[5,6]O)(C[6]C[6]2H){2|H<1>,3|C<4>,4|C<3>}	112.9570	0.000	1	113.0440	0.009	3	113.0440	0.009	3	113.0440	0.009	3	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:3:3:1:	4:3:1:	C[5,6]-4:C[5]-3:C-3:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(COO)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]H)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(COO){3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H){1|H<1>,3|C<3>}	112.4600	0.253	2	112.4600	0.064	2	112.4600	0.064	2	112.4600	0.064	2	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:3:3:1:	4:3:3:	C[5,6]-4:C[5]-3:C-3:	C[5,5,6]-4:C[5]-3:N[6]-3:H-1:	C[5,5,6]-4:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,5,6]N[6]H)(C[5]C[5,5,6]C[6a])(COO)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C)(C[5]C[5]C)(N[6]C[6]C)(H)	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5,6]C)(C[6a]C[6a]2)	C[5](C[5,6]C[5,5,6]N[6]H)(C[5]C[5,5,6]C[6a])(COO){1|H<1>,3|C<3>,4|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C)(C[5]C[5]C)(N[6]C[6]C)(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5,6]C)(C[6a]C[6a]2){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	109.1297	0.179	3	109.1297	0.032	3	109.1297	0.032	3	109.0328	0.059	4	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:3:3:1:	4:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,5,6]-4:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[5,6](C[5,6]C[5,5,6]CC)(C[5]C[6a]C[5])(C[6]C[6]H)(H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,8|C<3>}	C[5,6](C[5,6]C[5,5,6]CC)(C[5]C[6a]C[5])(C[6]C[6]H)(H){6|C<3>}	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]C[6a])(C[6a]C[6a]2){1|C<4>,1|N<2>,3|H<1>,9|C<3>}	108.7420	0.000	1	108.7420	0.000	1	108.7420	0.000	1	109.0328	0.059	4	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:3:3:2:	3:3:2:	C[5,6]-4:C[5]-3:C-3:	C[5,6]-4:C[5]-3:C[6]-3:O[5]-2:	C[5]-3:C[5]-3:O-2:	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]O)(COO)	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[5](C[5]C[5,6]C)(C[5]O[5]O)(OC)	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]O)(COO){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	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[5](C[5]C[5,6]C)(C[5]O[5]O)(OC){1|C<3>,1|C<4>}	108.5880	0.000	1	108.5880	0.000	1	108.5880	0.000	1	108.5880	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:3:3:2:	3:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:O[6]-2:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6a]O[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,6](C[5,6]C[6a]C[5]O[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)(O[6]C[6,6a])	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6a]O[6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,1|O<2>,2|H<1>,8|C<3>}	C[5,6](C[5,6]C[6a]C[5]O[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)(O[6]C[6,6a]){1|O<1>,2|H<1>,9|C<3>}	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]2){2|H<1>,2|O<2>,6|C<3>}	111.7550	0.000	1	111.7550	0.000	1	111.7550	0.000	1	111.7550	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:3:3:2:	4:3:1:	C[5,6]-4:C[5]-3:C-3:	C[5,6]-4:C[5]-3:C[6]-3:C-2:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CSiO)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]O)(CN)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CSiO){1|O<1>,2|C<4>,3|H<1>}	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[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	109.2875	0.289	2	109.2875	0.084	2	109.2875	0.084	2	109.2875	0.084	2	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:3:3:3:	3:2:1:	C[5,6]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]O)(CCO)	C[5,6](C[5]O[5]HH)(C[5]C[5]C)(C[6]C[6]H)2	C[5](C[5]C[5,6]C)(O[5]C[5])(O)	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]O)(CCO){2|C<3>,4|H<1>}	C[5,6](C[5]O[5]HH)(C[5]C[5]C)(C[6]C[6]H)2{1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6]C)(O[5]C[5])(O){2|C<3>,2|H<1>}	108.1540	0.247	2	108.1540	0.061	2	108.1540	0.061	2	108.1540	0.061	2	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:3:3:3:	3:3:1:	C[5,6]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]O)(CCO)	C[5,6](C[5]N[5]HH)(C[5]C[5]C)(C[6]C[6]H)2	C[5](C[5]C[5,6]C)(N[5]C[5]C)(O)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]O)(CCO){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5]N[5]HH)(C[5]C[5]C)(C[6]C[6]H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6]C)(N[5]C[5]C)(O){2|C<3>,2|H<1>}	109.0810	0.000	1	109.2937	0.055	3	109.2937	0.055	3	109.2937	0.055	3	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:3:3:3:	3:3:1:	C[5,6]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]O)(CCO)	C[5,6](C[5]N[5]HH)(C[5]C[5]C)(C[6]C[6]H)2	C[5](C[5]C[5,6]C)(N[5]C[5]C)(O)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]O)(CCO){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5]N[5]HH)(C[5]C[5]C)(C[6]C[6]H)2{1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]C)(N[5]C[5]C)(O){2|C<3>,2|H<1>}	109.4000	0.204	2	109.2937	0.055	3	109.2937	0.055	3	109.2937	0.055	3	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:3:3:3:	3:3:2:	C[5,6]-4:C[5]-3:C-3:	C[5,6]-4:C[5,6]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:N-2:	C[5](C[5,6]C[5,6]2C)(C[5]C[5]N)(COO)	C[5,6](C[5,6]C[6,6a]C[5]O[5])(C[5,6]C[5]O[6])(C[5]C[5]C)(COO)	C[5](C[5]C[5,6]C)2(NC[6])	C[5](C[5,6]C[5,6]2C)(C[5]C[5]N)(COO){1|C<2>,2|C<3>,2|O<2>}	C[5,6](C[5,6]C[6,6a]C[5]O[5])(C[5,6]C[5]O[6])(C[5]C[5]C)(COO){1|C<2>,1|N<2>,5|C<3>}	C[5](C[5]C[5,6]C)2(NC[6]){1|C<3>,1|C<4>,1|O<2>}	110.1580	0.000	1	110.1580	0.000	1	110.1580	0.000	1	108.5420	1.960	3	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:3:3:3:	3:3:2:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6]-4:N[6,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:O[5]-2:	C[5](C[5,6]N[6,6a]C[5,6]C[6a])(C[5]C[6a]O[5])(C[6a]C[6a]2)	C[5,6](C[5,6]C[6,6a]C[6a]O[5])(N[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,6]C[6a])(C[6a]C[6a]2)(O[5]C[5,6])	C[5](C[5,6]N[6,6a]C[5,6]C[6a])(C[5]C[6a]O[5])(C[6a]C[6a]2){10|C<3>,2|H<1>}	C[5,6](C[5,6]C[6,6a]C[6a]O[5])(N[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){10|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6]C[6a])(C[6a]C[6a]2)(O[5]C[5,6]){1|N<3>,2|H<1>,7|C<3>}	107.7340	0.051	2	107.7340	0.003	2	107.7340	0.003	2	108.5420	1.960	3	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:3:3:3:	3:3:3:	C[5,6]-4:C[5]-3:C-3:	C[5,6]-4:C[5]-3:C[6]-3:C-3:	C[5]-3:N[5]-3:C-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]C)(COO)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]C)(C[6]C[6]C)(COO)	C[5](C[5]C[5,6]C)(N[5]C[5,6]C)(COO)	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]C)(COO){1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]C)(C[6]C[6]C)(COO){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6]C)(N[5]C[5,6]C)(COO){1|H<1>,3|C<3>}	107.3780	0.000	1	107.3780	0.000	1	107.3780	0.000	1	107.3780	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:3:3:3:	3:4:1:	C[5,6]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[5]-3:C[5]-4:O-1:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CC[6a]H)	C[5,6](C[5]C[6a]C[5]H)(C[5]C[5]C)(C[6]N[6]O)2	C[5](C[5]C[5,6]C)(C[5]C[5]HH)(O)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CC[6a]H){1|C<3>,2|N<3>,2|O<1>,3|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[5]C[5]C)(C[6]N[6]O)2{1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6]C)(C[5]C[5]HH)(O){1|H<1>,3|C<3>}	109.0800	0.000	1	109.0800	0.000	1	109.0800	0.000	1	109.0800	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:3:3:3:	4:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:	B[5,6]-4:C[6,6a]-3:C[5]-3:C[6a]-3:	C[5]-4:C[5]-3:C[6a]-3:	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)	C[5](C[5]B[5,6]C[6a]H)(C[5]C[5,6]C[6a])(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){10|C<3>,1|N<3>,3|H<1>}	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>}	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>}	114.1080	0.000	1	113.5550	0.509	3	113.5550	0.509	3	113.5550	0.509	3	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:3:3:3:	4:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:	B[5,6]-4:C[6,6a]-3:C[5]-3:C[6a]-3:	C[5]-4:C[5]-3:C[6a]-3:	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)	C[5](C[5]B[5,6]C[6a]H)(C[5]C[5,6]C[6a])(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){10|C<3>,1|N<3>,3|H<1>}	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>}	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>}	113.2785	0.747	2	113.5550	0.509	3	113.5550	0.509	3	113.5550	0.509	3	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:3:3:4:	4:3:1:	C[5,6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CIS)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]O)(C[5]C[5]C)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CIS){1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]O)(C[5]C[5]C)(CH3){1|O<2>,2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H){1|C<3>,1|H<1>,2|C<4>}	104.7310	0.000	1	104.7310	0.000	1	104.7310	0.000	1	104.7310	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:3:4:4:	3:4:1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5]-3:C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[6a]C[5])(C[6]C[6]HH)(CH3)	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]H){1|C<3>,1|N<2>,2|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[6a]C[5])(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,6|H<1>}	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(H){1|H<1>,2|C<3>,3|C<4>}	109.5120	0.204	3	109.5120	0.042	3	109.5120	0.042	3	110.0853	1.342	4	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:3:4:4:	3:4:1:	C[5,6]-4:N[5a]-3:C[5]-3:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5]-3:C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(N[5a]C[5a]N[5a])(C[5]C[5]H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]N[5a]C[5])(C[6]C[6]HH)(CH3)	C[5](C[5]C[5,6]N[5a])(C[5]C[5,6]HH)(H)	C[5](C[5,6]C[5,6]C[6]C)(N[5a]C[5a]N[5a])(C[5]C[5]H){2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]N[5a]C[5])(C[6]C[6]HH)(CH3){1|C<3>,1|N<2>,2|C<4>,6|H<1>}	C[5](C[5]C[5,6]N[5a])(C[5]C[5,6]HH)(H){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	111.8050	0.000	1	111.8050	0.000	1	111.8050	0.000	1	110.0853	1.342	4	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:4:3:1:	3:2:1:	C[5,6]-4:C[5]-3:C-3:	C[3,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5,6]C[3,6]C[5,6]H)(C[5]O[5]O)(CHH)	C[5,6](C[3,6]C[3,6,6]C[3]C)(C[5,6]C[6]O[5]H)(C[5]C[5]C)(H)	C[5](C[5]C[5,6]C)(O[5]C[5,6])(O)	C[5](C[5,6]C[3,6]C[5,6]H)(C[5]O[5]O)(CHH){1|H<1>,4|C<4>}	C[5,6](C[3,6]C[3,6,6]C[3]C)(C[5,6]C[6]O[5]H)(C[5]C[5]C)(H){1|O<1>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]C)(O[5]C[5,6])(O){2|C<4>,2|H<1>}	107.6480	0.000	1	107.6480	0.000	1	107.6480	0.000	1	106.2968	1.701	10	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:4:3:1:	3:2:1:	C[5,6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CHH)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5,6]C)(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CHH){2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(C[5]C[5]C)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6]C)(O[5]C[5,6])(O){2|C<4>,2|H<1>}	105.1100	0.000	1	105.1100	0.000	1	106.1467	1.660	9	106.2968	1.701	10	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:4:3:1:	3:2:1:	C[5,6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CHH)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5,6]C)(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CHH){2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6]C)(O[5]C[5,6])(O){2|C<4>,2|H<1>}	105.2263	0.785	3	105.2263	0.616	3	106.1467	1.660	9	106.2968	1.701	10	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:4:3:1:	3:2:1:	C[5,6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CHH)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5,6]C)(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CHH){2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(C[5]C[5]C)(H){1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]C)(O[5]C[5,6])(O){2|C<4>,2|H<1>}	108.6120	0.000	1	108.6120	0.000	1	106.1467	1.660	9	106.2968	1.701	10	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:4:3:1:	3:2:1:	C[5,6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CHH)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5,6]C)(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CHH){2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6]C)(O[5]C[5,6])(O){2|C<4>,2|H<1>}	106.9590	0.000	1	106.7920	0.371	3	106.1467	1.660	9	106.2968	1.701	10	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:4:3:1:	3:2:1:	C[5,6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CHH)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5,6]C)(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CHH){2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]C)(O[5]C[5,6])(O){2|C<4>,2|H<1>}	106.7085	0.837	2	106.7920	0.371	3	106.1467	1.660	9	106.2968	1.701	10	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:4:3:1:	3:2:1:	C[5,6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CHH)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HO)(C[5]C[5]C)(H)	C[5](C[5]C[5,6]C)(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CHH){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HO)(C[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]C)(O[5]C[5,6])(O){2|C<4>,2|H<1>}	105.5430	0.000	1	105.5430	0.000	1	106.1467	1.660	9	106.2968	1.701	10	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:4:3:1:	3:2:4:	C[5,6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:C-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]C)(CCO)	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5,6]C)(O[5]C[5,6])(CH3)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]C)(CCO){1|C<3>,1|O<2>,3|H<1>}	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HH)(C[5]C[5]C)(H){1|O<1>,2|C<4>}	C[5](C[5]C[5,6]C)(O[5]C[5,6])(CH3){1|C<4>,1|O<2>,2|H<1>}	108.6570	0.000	1	108.6570	0.000	1	108.6570	0.000	1	108.6570	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CCC)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5,6]C)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CCC){1|C<3>,1|N<3>,4|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(C[5]C[5]C)(H){1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6]C)(C[5]C[5,6]H)(H){1|C<4>,1|N<3>,2|H<1>}	106.9160	0.000	1	106.9160	0.000	1	105.8866	0.526	15	106.1935	0.763	20	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CC[6a]2)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]C)(H)	C[5](C[5]C[5,6]C)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CC[6a]2){1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]C)(H){1|S<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6]C)(C[5]C[5,6]H)(H){1|C<4>,1|N<3>,2|H<1>}	105.8462	0.709	13	105.8462	0.502	13	105.8866	0.526	15	106.1935	0.763	20	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CC[6a]H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5,6]C)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CC[6a]H){1|C<3>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]HH)(C[5]C[5]C)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5,6]C)(C[5]C[5,6]H)(H){1|C<4>,1|O<2>,2|H<1>}	105.3830	0.000	1	105.3830	0.000	1	105.8866	0.526	15	106.1935	0.763	20	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CHH)	C[5,6](C[5,6]C[6]N[5]C)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5,6]C)(N[5]C[5,6]S)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CHH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6]N[5]C)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|H<1>,1|S<4>,2|O<1>}	C[5](C[5]C[5,6]C)(N[5]C[5,6]S)(O){1|C<3>,1|H<1>,2|C<4>}	107.9710	0.000	1	107.9710	0.000	1	107.4825	0.477	2	106.1935	0.763	20	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CHH)	C[5,6](C[5,6]C[6a]C[6]N[5])(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5,6]C)(N[5]C[5,6]S)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CHH){1|S<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6a]C[6]N[5])(C[6]C[6]HH)(C[5]C[5]C)(H){1|H<1>,1|S<4>,2|O<1>,3|C<3>}	C[5](C[5]C[5,6]C)(N[5]C[5,6]S)(O){1|C<4>,1|H<1>,2|C<3>}	106.9940	0.000	1	106.9940	0.000	1	107.4825	0.477	2	106.1935	0.763	20	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[5]-3:C-3:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CC[6a]2)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]O[6]H)(C[5]C[5]C)(H)	C[5](C[5]C[5,6]C)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CC[6a]2){1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]O[6]H)(C[5]C[5]C)(H){2|H<1>,4|C<3>}	C[5](C[5]C[5,6]C)(C[5]C[5,6]H)(H){1|C<4>,1|O<2>,2|H<1>}	107.1245	0.400	2	107.1245	0.160	2	106.8683	0.277	3	106.1935	0.763	20	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[5]-3:C-3:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CC[6a]H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]O[6]H)(C[5]C[5]C)(H)	C[5](C[5]C[5,6]C)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CC[6a]H){1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]O[6]H)(C[5]C[5]C)(H){2|H<1>,4|C<3>}	C[5](C[5]C[5,6]C)(C[5]C[5,6]H)(H){1|C<4>,1|O<2>,2|H<1>}	106.3560	0.000	1	106.3560	0.000	1	106.8683	0.277	3	106.1935	0.763	20	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:4:3:1:	4:3:1:	C[5,6]-4:C[5]-3:C-3:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,4x6]-4:C[5]-3:O-1:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,4x6]O)(CHH)	C[5,6](C[5,6,6]C[5,4x6]O[6]H)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5](C[5,4x6]C[5,6,6]C[3x6]C[4x6])(C[5]C[5,6]C)(O)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,4x6]O)(CHH){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,4x6]O[6]H)(C[6]C[6]HH)(C[5]C[5]C)(H){1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,4x6]C[5,6,6]C[3x6]C[4x6])(C[5]C[5,6]C)(O){3|H<1>,3|O<2>,4|C<4>}	106.8385	0.009	2	106.8385	0.000	2	106.8385	0.000	2	107.7248	1.529	35	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:4:3:1:	4:3:1:	C[5,6]-4:C[5]-3:C-3:	C[5,6]-4:C[6,6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(CCC)	C[5,6](C[5,6]C[3,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5]C)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(O)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(CCC){2|H<1>,5|C<4>}	C[5,6](C[5,6]C[3,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5]C)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(O){1|H<1>,3|C<4>}	110.1050	0.000	1	110.1050	0.000	1	110.1050	0.000	1	107.7248	1.529	35	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:4:3:1:	4:3:1:	C[5,6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,3x6]-4:C[5]-3:O-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,3x6]O)(CHH)	C[5,6](C[5,6]C[5,3x6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,3x6]O)(CHH){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,3x6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(O){2|O<2>,4|C<4>,4|H<1>}	107.7550	0.000	1	107.7550	0.000	1	107.4223	0.207	6	107.7248	1.529	35	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:4:3:1:	4:3:1:	C[5,6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,3x6]-4:C[5]-3:O-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,3x6]O)(CHH)	C[5,6](C[5,6]C[5,3x6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,3x6]O)(CHH){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,3x6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(O){2|O<2>,4|C<4>,4|H<1>}	107.1500	0.000	1	107.3558	0.226	5	107.4223	0.207	6	107.7248	1.529	35	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:4:3:1:	4:3:1:	C[5,6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,3x6]-4:C[5]-3:O-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,3x6]O)(CHH)	C[5,6](C[5,6]C[5,3x6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,3x6]O)(CHH){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,3x6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(O){3|H<1>,3|O<2>,4|C<4>}	107.4073	0.532	4	107.3558	0.226	5	107.4223	0.207	6	107.7248	1.529	35	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:4:3:1:	4:3:1:	C[5,6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5]-3:O-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHH)	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHH){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	107.6903	0.604	3	107.3446	0.434	9	107.2096	0.674	19	107.7248	1.529	35	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:4:3:1:	4:3:1:	C[5,6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5]-3:O-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHH)	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHH){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	107.5440	0.391	4	107.3446	0.434	9	107.2096	0.674	19	107.7248	1.529	35	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:4:3:1:	4:3:1:	C[5,6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5]-3:O-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHH)	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHH){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O){4|C<4>,6|H<1>}	106.4270	0.287	2	107.3446	0.434	9	107.2096	0.674	19	107.7248	1.529	35	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:4:3:1:	4:3:1:	C[5,6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5]-3:O-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHH)	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	107.7040	0.770	5	107.0882	0.928	10	107.2096	0.674	19	107.7248	1.529	35	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:4:3:1:	4:3:1:	C[5,6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5]-3:O-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHH)	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	107.0770	0.317	2	107.0882	0.928	10	107.2096	0.674	19	107.7248	1.529	35	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:4:3:1:	4:3:1:	C[5,6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5]-3:O-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHH)	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHH){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O){2|O<2>,4|C<4>,4|H<1>}	106.7990	0.000	1	107.0882	0.928	10	107.2096	0.674	19	107.7248	1.529	35	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:4:3:1:	4:3:1:	C[5,6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5]-3:O-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHH)	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHH){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O){2|O<2>,4|C<4>,4|H<1>}	105.7045	0.261	2	107.0882	0.928	10	107.2096	0.674	19	107.7248	1.529	35	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:4:3:1:	4:3:1:	C[5,6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:O-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(CHH)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]C)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(CHH){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]C)(O){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	108.1800	0.000	1	108.1800	0.000	1	108.1800	0.000	1	107.7248	1.529	35	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:4:3:1:	4:3:1:	C[5,6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CCO)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CCO){1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|O<1>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	110.9700	0.000	1	110.9700	0.000	1	111.0025	0.002	2	107.7248	1.529	35	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:4:3:1:	4:3:1:	C[5,6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(COO)	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HO)(C[5]C[5]C)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(COO){1|C<3>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HO)(C[5]C[5]C)(H){1|C<4>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H){1|C<3>,1|C<4>,2|H<1>}	111.0350	0.000	1	111.0350	0.000	1	111.0025	0.002	2	107.7248	1.529	35	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:4:3:1:	4:3:1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[5,6](C[6]C[4,5,6,6]C[5]H)(C[5,6]C[5,6]HH)(C[5]C[6a]C[5])(H)	C[5](C[5,6]C[4,5,6,6]C[5,6]H)(C[5]C[5,6]C[6a])(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(C[6a]C[6a]2){2|C<3>,3|C<4>,6|H<1>}	C[5,6](C[6]C[4,5,6,6]C[5]H)(C[5,6]C[5,6]HH)(C[5]C[6a]C[5])(H){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[5](C[5,6]C[4,5,6,6]C[5,6]H)(C[5]C[5,6]C[6a])(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	108.8693	0.157	3	108.7210	0.104	4	108.7210	0.104	4	107.7248	1.529	35	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:4:3:1:	4:3:1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[5,6](C[6]C[4,5,6,6]C[5]H)(C[5,6]C[5,6]HH)(C[5]C[6a]C[5])(H)	C[5](C[5,6]C[4,5,6,6]C[5,6]H)(C[5]C[5,6]C[6a])(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(C[6a]C[6a]2){2|C<3>,3|C<4>,6|H<1>}	C[5,6](C[6]C[4,5,6,6]C[5]H)(C[5,6]C[5,6]HH)(C[5]C[6a]C[5])(H){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[5](C[5,6]C[4,5,6,6]C[5,6]H)(C[5]C[5,6]C[6a])(H){2|C<3>,3|H<1>,4|C<4>}	108.2760	0.000	1	108.7210	0.104	4	108.7210	0.104	4	107.7248	1.529	35	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:4:3:2:	3:2:4:	C[5,6]-4:C[5]-3:N-3:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5]-3:N[5]-2:C-4:	C[5](C[5,6]C[6]2O[5])(C[5]N[5]C)(NOO)	C[5,6](C[6]C[6]HH)2(C[5]C[5]N)(O[5]N[5])	C[5](C[5]C[5,6]N)(N[5]O[5])(CH3)	C[5](C[5,6]C[6]2O[5])(C[5]N[5]C)(NOO){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[6]C[6]HH)2(C[5]C[5]N)(O[5]N[5]){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5,6]N)(N[5]O[5])(CH3){2|C<4>}	107.3320	0.000	1	107.3320	0.000	1	107.3320	0.000	1	107.3320	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:4:3:2:	3:3:2:	C[5,6]-4:C[5]-3:C-3:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5]-3:C[5]-3:C-2:	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(CCH)	C[5,6](C[6]C[6]HH)2(C[5]C[5]C)(O[5]C[5])	C[5](C[5]C[5,6]C)(C[5]O[5]C)(CN)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(CCH){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6]C[6]HH)2(C[5]C[5]C)(O[5]C[5]){1|C<2>,1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5,6]C)(C[5]O[5]C)(CN){2|C<4>}	106.5510	0.000	1	106.5510	0.000	1	106.5510	0.000	1	106.5510	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:4:3:2:	3:3:4:	C[5,6]-4:C[5]-3:C-3:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(CCC)	C[5,6](C[6]C[6]HH)2(C[5]C[5]C)(O[5]C[5])	C[5](C[5]C[5,6]C)(C[5]O[5]O)(CH3)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(CCC){1|O<1>,2|C<4>,4|H<1>}	C[5,6](C[6]C[6]HH)2(C[5]C[5]C)(O[5]C[5]){1|O<1>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]C)(C[5]O[5]O)(CH3){2|C<4>}	109.7470	0.000	1	109.7470	0.000	1	109.7470	0.000	1	109.7470	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:4:3:2:	4:3:1:	C[5,6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]H)(CCO)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]C)(OH)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]H)(CCO){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]C)(OH){1|C<4>,7|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H){1|C<3>,1|O<2>,2|C<4>}	109.9650	0.000	1	109.9650	0.000	1	109.9650	0.000	1	109.9650	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:4:3:4:	4:3:1:	C[5,6]-4:C[5]-3:C-3:	C[5,5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]H)(CHN)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[5](C[5,5]C[5,5,6]C[5]C)(C[5]C[5,6]C)(H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]H)(CHN){3|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){4|C<4>,4|H<1>}	C[5](C[5,5]C[5,5,6]C[5]C)(C[5]C[5,6]C)(H){3|H<1>,4|C<4>}	112.2150	0.000	1	112.2150	0.000	1	112.2150	0.000	1	109.4424	1.206	19	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:4:3:4:	4:3:1:	C[5,6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCN)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCN){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H){1|H<1>,3|C<4>}	109.3920	0.000	1	109.3920	0.000	1	109.6124	0.252	15	109.4424	1.206	19	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:4:3:4:	4:3:1:	C[5,6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCO)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCO){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|O<1>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H){4|C<4>}	109.2553	0.505	4	109.2553	0.255	4	109.6124	0.252	15	109.4424	1.206	19	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:4:3:4:	4:3:1:	C[5,6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCO)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCO){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H){1|H<1>,3|C<4>}	109.6970	0.000	1	109.7065	0.120	6	109.6124	0.252	15	109.4424	1.206	19	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:4:3:4:	4:3:1:	C[5,6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCO)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCO){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|O<2>,2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H){1|H<1>,3|C<4>}	109.4650	0.450	2	109.7065	0.120	6	109.6124	0.252	15	109.4424	1.206	19	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:4:3:4:	4:3:1:	C[5,6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCO)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCO){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){2|C<4>,6|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H){1|H<1>,3|C<4>}	109.8707	0.316	3	109.7065	0.120	6	109.6124	0.252	15	109.4424	1.206	19	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:4:3:4:	4:3:1:	C[5,6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCO)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(C[5]C[5]C)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCO){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(C[5]C[5]C)(CH3){1|C<3>,1|C<4>,6|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H){1|H<1>,3|C<4>}	108.9390	0.000	1	108.9390	0.000	1	109.6124	0.252	15	109.4424	1.206	19	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:4:3:4:	4:3:1:	C[5,6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CC[5]Cl)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CC[5]Cl){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){2|C<4>,6|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H){1|H<1>,3|C<4>}	110.1775	0.267	2	110.1775	0.071	2	109.6124	0.252	15	109.4424	1.206	19	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:4:3:4:	4:3:1:	C[5,6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CNO)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CNO){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){2|C<4>,6|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H){1|H<1>,3|C<4>}	110.2400	0.000	1	110.2400	0.000	1	109.6124	0.252	15	109.4424	1.206	19	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:4:3:4:	4:3:1:	C[5,6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:O-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCH)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCH){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|O<1>,2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(O){4|C<4>}	107.0790	0.000	1	107.0790	0.000	1	107.6683	0.308	3	109.4424	1.206	19	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:4:3:4:	4:3:1:	C[5,6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:O-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCH){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|O<1>,2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(O){1|H<1>,3|C<4>}	107.9630	0.307	2	107.9630	0.094	2	107.6683	0.308	3	109.4424	1.206	19	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:3:	4:4:4:3:	3:4:1:	C[5,6]-4:C[5]-3:C-3:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(CCC)	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]C)	C[5](C[5]C[5,6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(CCC){3|C<4>,7|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]C){1|C<4>,1|O<2>,6|H<1>}	C[5](C[5]C[5,6]C)(C[5]C[5]HH)(H){2|C<4>,2|H<1>}	110.4410	0.014	2	110.4410	0.000	2	110.4410	0.000	2	110.4410	0.000	2	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:4:	2:3:3:4:	4:3:1:	C[5,6]-4:C[5]-3:C-4:	O[5,6]-2:C[6]-3:C[5]-3:C-4:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(CHHO)	C[5,6](O[5,6]C[5,6])(C[6]C[6]Br)(C[5]C[5]C)(CH3)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C)(H)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(CHHO){1|Br<1>,1|H<1>,2|C<3>}	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[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C)(H){1|C<4>,1|O<1>,2|C<3>}	108.1700	0.000	1	108.1700	0.000	1	108.1700	0.000	1	108.1700	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:4:	2:4:3:1:	4:3:1:	C[5,6]-4:C[5]-3:C-4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(CCHH)	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(C[5]C[5]C)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(CCHH){1|C<3>,2|C<4>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(C[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C)(H){1|C<3>,1|C<4>,3|H<1>}	106.7260	0.000	1	106.7260	0.000	1	106.7260	0.000	1	106.7260	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:4:	2:4:3:4:	4:3:1:	C[5,6]-4:C[5]-3:C-4:	O[5,6]-2:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(CH3)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C)(H)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(CH3){1|C<3>,1|C<4>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	107.1750	0.000	1	107.1750	0.000	1	107.1750	0.000	1	107.1750	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:4:	3:2:3:4:	3:3:4:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-3:Se[6]-2:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6]Se[6]C)(C[5]C[5]C)(CH3)	C[5,6](C[5,6]Se[6]C[5])(Se[6]C[5,6])(C[5]C[5]C)(CH3)	C[5](C[5]C[5,6]C)2(CH3)	C[5](C[5,6]C[5,6]Se[6]C)(C[5]C[5]C)(CH3){1|Se<2>,1|C<3>,1|C<4>}	C[5,6](C[5,6]Se[6]C[5])(Se[6]C[5,6])(C[5]C[5]C)(CH3){1|C<3>,3|C<4>}	C[5](C[5]C[5,6]C)2(CH3){2|Se<2>,1|C<4>}	109.0130	0.000	1	109.0130	0.000	1	109.0130	0.000	1	109.0130	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:4:	3:3:3:1:	4:3:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-3:C[5]-3:C[6]-3:H-1:	C[5,6,6]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]H)(CH3)	C[5,6](C[5,6]C[5,6,6]O)(C[5]C[5]C)(C[6]C[6]O)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]H)(CH3){2|O<1>,3|C<4>}	C[5,6](C[5,6]C[5,6,6]O)(C[5]C[5]C)(C[6]C[6]O)(H){2|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	109.0200	0.000	1	109.0200	0.000	1	109.0200	0.000	1	109.0200	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:4:	3:3:3:3:	3:3:1:	C[5,6]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(CH3)	C[5,6](C[5]C[6a]C[5])(C[5]C[5]C)(C[6]C[6]H)(C[6]C[6]O)	C[5](C[5]C[6a]C[5])(C[5]C[5,6]C)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(CH3){1|H<1>,1|O<1>,4|C<3>}	C[5,6](C[5]C[6a]C[5])(C[5]C[5]C)(C[6]C[6]H)(C[6]C[6]O){3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5,6]C)(H){5|C<3>}	108.4095	0.230	2	108.4095	0.053	2	108.4095	0.053	2	108.8670	0.167	7	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:4:	3:3:3:3:	3:3:1:	C[5,6]-4:C[5]-3:C-4:	C[5]-3:C[6]-3:C[6]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(CH3)	C[5,6](C[5]C[5]C)(C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]C)	C[5](C[5]C[5,6]C)(C[5]N[5]O)(H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,2|C<3>,2|O<1>}	C[5,6](C[5]C[5]C)(C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]C){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6]C)(C[5]N[5]O)(H){1|C<4>,2|C<3>}	109.1808	0.086	4	109.1808	0.007	4	109.1808	0.007	4	108.8670	0.167	7	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:4:	3:3:3:3:	3:3:1:	C[5,6]-4:C[5]-3:C-4:	C[5a,6]-3:N[5,6]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]H)(CH3)	C[5,6](C[5a,6]N[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]C)(CNO)	C[5](C[5]C[5,6]C)(C[5]N[5,6]O)(H)	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]H)(CH3){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[5,6](C[5a,6]N[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]C)(CNO){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6]C)(C[5]N[5,6]O)(H){1|C<4>,2|C<3>}	108.5270	0.000	1	108.5270	0.000	1	108.5270	0.000	1	108.8670	0.167	7	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:4:	3:3:3:3:	3:3:3:	C[5,6]-4:C[5]-3:Si-4:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a])(SiC3)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]Si)(C[6]C[6]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]Si)(C[6a]C[6a]2)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a])(SiC3){1|O<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]Si)(C[6]C[6]O){3|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]Si)(C[6a]C[6a]2){3|H<1>,6|C<3>}	108.1780	0.000	1	108.1780	0.000	1	108.1780	0.000	1	108.1780	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:4:	3:3:3:4:	3:3:1:	C[5,6]-4:C[5]-3:C-4:	C[5a,6]-3:N[5,6]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]H)(CH3)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]C)(CC[6a]HH)	C[5](C[5]C[5,6]C)(C[5]N[5,6]O)(H)	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]C)(CC[6a]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[5,6]C)(C[5]N[5,6]O)(H){1|C<3>,2|C<4>}	109.3510	0.000	1	109.3510	0.000	1	109.3510	0.000	1	109.3510	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:4:	3:3:3:4:	4:3:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-3:C[5]-3:C[6]-3:C-4:	P[5]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]P[5]H)(CH3)	C[5,6](C[5,6]C[6]P[5])(C[5]C[5]C)(C[6]C[6]C)(CH3)	C[5](P[5]C[5,6]C[6a]W)(C[5]C[5,6]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]P[5]H)(CH3){1|W<6>,4|C<3>}	C[5,6](C[5,6]C[6]P[5])(C[5]C[5]C)(C[6]C[6]C)(CH3){1|C<4>,1|W<6>,2|C<3>,2|H<1>}	C[5](P[5]C[5,6]C[6a]W)(C[5]C[5,6]C)(H){1|C<4>,4|C<3>}	115.5890	0.000	1	115.5890	0.000	1	115.5890	0.000	1	115.5890	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:4:	3:3:4:3:	3:3:4:	C[5,6]-4:C[5]-3:C-4:	P[5,6]-3:C[6a]-3:C[6]-4:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]P[5,6]C[6a]C[6])(C[5]C[5]C)(CH3)	C[5,6](P[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]C[5]C)	C[5](C[5]C[5,6]C)(C[5]P[5,6]C)(CH3)	C[5](C[5,6]P[5,6]C[6a]C[6])(C[5]C[5]C)(CH3){1|C<4>,2|H<1>,4|C<3>}	C[5,6](P[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]C[5]C){2|C<4>,4|C<3>,4|H<1>}	C[5](C[5]C[5,6]C)(C[5]P[5,6]C)(CH3){1|C<3>,2|C<4>}	116.9100	0.000	1	116.9100	0.000	1	116.9100	0.000	1	116.9100	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:4:	3:4:3:3:	3:3:2:	C[5,6]-4:C[5]-3:C-4:	N[6]-3:C[6]-4:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:O[5]-2:	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[6a]O[5])(CH3)	C[5,6](N[6]C[6a]C[6])(C[6]C[6]HH)(C[5]C[5]C)(C[5]O[5]N)	C[5](C[5]C[5,6]C)(C[6a]C[6a]2)(O[5]C[5])	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[6a]O[5])(CH3){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[5,6](N[6]C[6a]C[6])(C[6]C[6]HH)(C[5]C[5]C)(C[5]O[5]N){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6]C)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	108.3670	0.345	2	108.3670	0.119	2	108.3670	0.119	2	108.3670	0.119	2	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:4:	4:2:3:3:	4:3:1:	C[5,6]-4:C[5]-3:C-4:	C[6]-4:O[5,6]-2:C[5]-3:C-3:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(CH3)	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]C)(COO)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C)(H)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(CH3){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]C)(COO){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C)(H){1|C<4>,2|C<3>,2|H<1>}	105.9750	0.000	1	105.9750	0.000	1	105.9750	0.000	1	105.9750	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:4:	4:2:3:4:	3:3:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:O[6]-2:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]H)(CH3)	C[5,6](C[5,6]C[5]C[6]O)(O[6]C[6,6a])(C[5]C[5]C)(CH3)	C[5](C[5]C[5,6]C)(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]H)(CH3){1|O<1>,1|O<2>,2|C<3>}	C[5,6](C[5,6]C[5]C[6]O)(O[6]C[6,6a])(C[5]C[5]C)(CH3){1|H<1>,2|C<3>,2|O<1>}	C[5](C[5]C[5,6]C)(C[5]C[5,6]O)(H){1|C<3>,1|C<4>,2|O<2>}	112.5720	0.000	1	112.5720	0.000	1	112.5720	0.000	1	112.5720	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:4:	4:2:3:4:	4:3:1:	C[5,6]-4:C[5]-3:C-4:	C[6]-4:O[5,6]-2:C[5]-3:C-4:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(CH3)	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]C)(CH3)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C)(H)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(CH3){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]C)(CH3){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C)(H){1|C<3>,2|C<4>,2|H<1>}	107.1810	0.000	1	107.1810	0.000	1	107.1810	0.000	1	107.1810	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:4:	4:3:3:1:	3:3:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]H)(H)	C[5](C[5]C[5,6]C)(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]H)(H){1|O<1>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6]C)(C[5]C[5,6]O)(H){1|C<4>,1|H<1>,2|C<3>}	112.5010	0.000	1	112.5010	0.000	1	112.5010	0.000	1	112.5010	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:4:	4:3:3:1:	4:3:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6,6]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]H)(CH3)	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]C)(C[6]C[6]O)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]H)(CH3){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H){2|C<3>,2|C<4>,5|H<1>}	109.1830	0.281	2	109.1830	0.079	2	109.1830	0.079	2	109.1830	0.079	2	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:4:	4:3:3:2:	3:4:1:	C[5,6]-4:C[5]-3:C-4:	C[6]-4:C[6]-3:C[5]-3:O[5]-2:	C[5]-3:C[5]-4:H-1:	C[5](C[5,6]C[6]2O[5])(C[5]C[5]H)(CH3)	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[5](C[5]C[5,6]C)(C[5]O[5]HH)(H)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]H)(CH3){1|O<1>,2|C<3>,2|H<1>,2|O<2>}	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[5](C[5]C[5,6]C)(C[5]O[5]HH)(H){1|C<3>,1|C<4>}	107.9540	0.000	1	107.9540	0.000	1	107.9540	0.000	1	107.9540	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:4:	4:3:3:4:	4:3:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[5]-3:C[6]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCCO)	C[5,6](C[5,6]C[3,6,6]C[5]C)(C[5]C[5]C)(C[6]C[6]O)(CH3)	C[5](C[5]C[5,6]HO)(C[5]C[5,6]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCCO){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[3,6,6]C[5]C)(C[5]C[5]C)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5](C[5]C[5,6]HO)(C[5]C[5,6]C)(H){1|C<3>,3|C<4>}	109.1540	0.000	1	109.1540	0.000	1	109.1540	0.000	1	109.1540	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:4:	4:4:3:1:	3:3:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CH3)	C[5,6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5,6]C)(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CH3){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<4>,1|O<2>,2|C<3>,2|O<1>,3|H<1>}	C[5](C[5]C[5,6]C)(C[5]C[5,6]O)(H){1|C<3>,1|H<1>,2|C<4>}	110.8730	0.000	1	110.8730	0.000	1	110.8730	0.000	1	110.8730	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:4:	4:4:3:1:	4:3:1:	C[5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]H)(CHHO)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]O[6]HO)(C[5]C[5]C)(H)	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]C)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]H)(CHHO){1|C<3>,3|H<1>,3|O<2>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]O[6]HO)(C[5]C[5]C)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]C)(H){1|C<4>,2|C<3>,2|H<1>}	110.6820	0.000	1	110.6820	0.000	1	110.6820	0.000	1	110.1420	2.302	10	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:4:	4:4:3:1:	4:3:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]H)(CH3)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5]C)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]H)(CH3){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5]C)(H){2|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H){2|C<4>,2|H<1>}	109.9670	0.000	1	109.9670	0.000	1	109.9670	0.000	1	110.1420	2.302	10	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:4:	4:4:3:1:	4:3:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]H)(CH3)	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]H)(CH3){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){2|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]C)(H){2|O<2>,4|C<4>,4|H<1>}	108.7560	0.023	2	108.7560	0.001	2	108.7560	0.001	2	110.1420	2.302	10	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:4:	4:4:3:1:	4:3:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(CH3)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(CH3){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C)(H){1|O<2>,3|C<4>,3|H<1>}	108.4150	0.100	2	108.4150	0.010	2	108.4150	0.010	2	110.1420	2.302	10	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:4:	4:4:3:1:	4:3:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CHHO)	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HO)(C[5]C[5]C)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CHHO){1|C<3>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HO)(C[5]C[5]C)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H){1|C<3>,1|C<4>,2|H<1>}	110.9425	0.317	2	110.9425	0.101	2	110.9425	0.101	2	110.1420	2.302	10	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:4:	4:4:3:1:	4:3:1:	C[5,6]-4:C[5]-3:C-4:	C[6]-4:S[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]S[5,6]C[6]H)(C[5]C[5,6]H)(CH3)	C[5,6](C[6]C[6a]C[6]H)(S[5,6]C[5,6]OO)(C[5]C[5]C)(H)	C[5](C[5,6]S[5,6]C[6]H)(C[5]C[5,6]C)(H)	C[5](C[5,6]S[5,6]C[6]H)(C[5]C[5,6]H)(CH3){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[5,6](C[6]C[6a]C[6]H)(S[5,6]C[5,6]OO)(C[5]C[5]C)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,6]S[5,6]C[6]H)(C[5]C[5,6]C)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|O<1>}	112.2720	0.346	2	112.2720	0.120	2	112.2720	0.120	2	110.1420	2.302	10	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:4:	4:4:3:2:	3:3:1:	C[5,6]-4:C[5]-3:C-4:	C[6,6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]H)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HO)(C[5]C[5]C)(O[5]C[5])	C[5](C[5]C[5,6]C)(C[5]O[5]O)(H)	C[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]H)(CH3){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HO)(C[5]C[5]C)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[5,6]C)(C[5]O[5]O)(H){2|C<4>}	107.8450	0.000	1	107.8450	0.000	1	107.8450	0.000	1	107.8450	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:4:	4:4:3:2:	4:3:4:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]C)(CH3)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]HO)(C[5]C[5]C)(OH)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(CCCH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]C)(CH3){2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]HO)(C[5]C[5]C)(OH){1|O<2>,2|H<1>,5|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(CCCH){2|C<4>,2|O<2>}	111.0020	0.000	1	111.0020	0.000	1	111.0020	0.000	1	111.0020	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:4:	4:4:3:3:	3:3:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCCH)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C)(CCH)	C[5](C[5]C[5,6]C)(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCCH){1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C)(CCH){1|C<4>,1|O<1>,5|H<1>}	C[5](C[5]C[5,6]C)(C[5]C[5,6]O)(H){1|C<3>,1|H<1>,2|C<4>}	111.8660	0.000	1	111.8660	0.000	1	111.8660	0.000	1	111.8660	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:4:	4:4:3:3:	3:3:2:	C[5,6]-4:C[5]-3:C-4:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:O[5]-2:	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]O[5])(CH3)	C[5,6](C[6]C[6]HH)2(C[5]C[5]C)(C[5]O[5]N)	C[5](C[5]C[5,6]C)(C[6a]C[6a]2)(O[5]C[5])	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]O[5])(CH3){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[5,6](C[6]C[6]HH)2(C[5]C[5]C)(C[5]O[5]N){2|H<1>,3|C<3>}	C[5](C[5]C[5,6]C)(C[6a]C[6a]2)(O[5]C[5]){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	109.1940	0.004	2	109.1940	0.000	2	109.1940	0.000	2	109.1940	0.000	2	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:4:	4:4:3:4:	3:3:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CH3)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6a]HH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5,6]C)(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CH3){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6a]HH)(C[5]C[5]C)(CH3){1|H<1>,2|C<3>,2|O<1>}	C[5](C[5]C[5,6]C)(C[5]C[5,6]O)(H){1|C<3>,1|O<2>,2|C<4>}	112.7030	0.000	1	112.7030	0.000	1	112.7030	0.000	1	112.7030	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:4:	4:4:3:4:	3:3:3:	C[5,6]-4:C[5]-3:C-4:	C[6]-4:C[5,6]-4:C[5]-3:C-4:	P[5,6]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5]P[5,6]C[6a])(CH3)	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]P[5,6]HH)(C[5]C[5]C)(CH3)	C[5](P[5,6]C[5,6]P[5,6])(C[5]C[5,6]C)(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]C)(C[5]P[5,6]C[6a])(CH3){1|P<3>,3|H<1>,4|C<3>}	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]P[5,6]HH)(C[5]C[5]C)(CH3){1|P<3>,4|C<3>}	C[5](P[5,6]C[5,6]P[5,6])(C[5]C[5,6]C)(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	114.9570	0.000	1	114.9570	0.000	1	114.9570	0.000	1	114.9570	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:4:	4:4:3:4:	4:3:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]H)(CH3)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]HO)(C[5]C[5]C)(CH3)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]H)(CH3){1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]HO)(C[5]C[5]C)(CH3){2|C<3>,2|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]C)(H){2|C<3>,2|C<4>,2|H<1>}	108.8640	0.000	1	108.8640	0.000	1	108.8640	0.000	1	109.7307	3.539	3	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:4:	4:4:3:4:	4:3:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCCH)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5,6]HO)(C[5]C[5,6]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCCH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6]HO)(C[5]C[5,6]C)(H){1|C<3>,3|C<4>}	108.4390	0.000	1	108.4390	0.000	1	110.1640	5.951	2	109.7307	3.539	3	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:4:	4:4:3:4:	4:3:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CH3){1|C<4>,1|O<2>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HH)(C[5]C[5]C)(CH3){1|C<3>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H){1|H<1>,3|C<4>}	111.8890	0.000	1	111.8890	0.000	1	110.1640	5.951	2	109.7307	3.539	3	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:4:	4:4:3:4:	4:3:3:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(CHO)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(CH3){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(CHO){1|H<1>,3|C<4>}	109.2260	0.000	1	109.2260	0.000	1	109.2260	0.000	1	109.2260	0.000	1	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:4:	4:4:3:4:	4:3:4:	C[5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]C)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[6]C[6a]O[6]H)(C[5]C[5]C)(CH3)	C[5](C[5,5]C[5,5,6]O[5]C)(C[5]C[5,6]C)(CH3)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]C)(CH3){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[6]C[6a]O[6]H)(C[5]C[5]C)(CH3){1|H<1>,1|O<2>,1|P<4>,2|C<4>,3|C<3>}	C[5](C[5,5]C[5,5,6]O[5]C)(C[5]C[5,6]C)(CH3){1|P<4>,4|C<4>}	111.8180	0.598	4	111.8180	0.358	4	111.8180	0.358	4	111.8180	0.358	4	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5,6]	C[5]	4:3:4:	6:3:3:3:	6:3:1:	C[5,6]-4:C[5]-3:C-4:	C[5x3,6x5,20x6]-6:C[5]-3:C[6]-3:C[6]-3:	C[5x3,6x5,20x6]-6:C[5]-3:H-1:	C[5](C[5,6]C[5x3,6x5,20x6]C[6]2)(C[5]C[5x3,6x5,20x6]H)(CCHH)	C[5,6](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]C)(C[6]C[6]H)2	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5,6]C)(H)	C[5](C[5,6]C[5x3,6x5,20x6]C[6]2)(C[5]C[5x3,6x5,20x6]H)(CCHH){2|C<3>,2|H<1>,6|B<6>}	C[5,6](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]C)(C[6]C[6]H)2{1|C<4>,5|B<6>,7|H<1>}	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5,6]C)(H){2|C<3>,4|H<1>,5|B<6>}	114.1600	0.124	2	114.1600	0.015	2	114.1600	0.015	2	114.1600	0.015	2	109.7205	5.558	590	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5]	3:3:4:	3:3:1:1:	3:3:2:	C[5,5]-3:C[5a]-3:C[5]-4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5,5]-3:N[5]-2:	C[5](C[5,5]C[5,5]N[5])(C[5a]C[5a]N[5a])(C[5]C[5]HH)	C[5](C[5]C[5,5]C[5a])(C[5]C[5,5]O)(H)2	C[5,5](C[5]C[5a]C[5])(C[5,5]C[5]2)(N[5]C[5])	C[5](C[5,5]C[5,5]N[5])(C[5a]C[5a]N[5a])(C[5]C[5]HH){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5](C[5]C[5,5]C[5a])(C[5]C[5,5]O)(H)2{1|N<2>,1|N<3>,2|C<3>}	C[5,5](C[5]C[5a]C[5])(C[5,5]C[5]2)(N[5]C[5]){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	107.4090	0.000	1	107.4090	0.000	1	107.4090	0.000	1	106.1483	2.594	3	108.8667	3.662	86	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5]	3:3:4:	3:3:1:1:	3:3:2:	C[5,5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5,5]-3:O[5]-2:	C[5](C[5,5]C[5,5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(H)2	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(O[5]C[5])	C[5](C[5,5]C[5,5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(H)2{1|O<2>,3|C<3>}	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(O[5]C[5]){2|H<1>,2|O<1>,3|C<3>}	105.5180	1.674	2	105.5180	2.804	2	105.5180	2.804	2	106.1483	2.594	3	108.8667	3.662	86	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5]	3:3:4:	3:4:1:1:	3:3:3:	C[5,5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C[5,5]-3:	C[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5,5]C[5]2)	C[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]C[5]HH){4|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(H)2{4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5,5]C[5]2){4|C<3>,6|H<1>}	110.2460	0.020	2	110.2460	0.000	2	110.2460	0.000	2	110.2460	0.000	2	108.8667	3.662	86	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5]	3:3:4:	3:4:4:1:	3:4:4:	C[5,5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-3:C[5,5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(CCHI)(H)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]N[5]HH)	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(CCHI)(H){2|C<3>,3|C<4>}	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]N[5]HH){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	107.7170	0.000	1	107.7170	0.000	1	107.6330	0.014	2	107.6330	0.014	2	108.8667	3.662	86	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5]	3:3:4:	3:4:4:1:	3:4:4:	C[5,5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-3:C[5,5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(CClCH)(H)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]N[5]HH)	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(CClCH)(H){2|C<3>,3|C<4>}	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]N[5]HH){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	107.5490	0.000	1	107.5490	0.000	1	107.6330	0.014	2	107.6330	0.014	2	108.8667	3.662	86	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5]	3:4:1:	3:3:1:1:	3:3:3:	C[5,5]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:H-1:H-1:	C[5,5]-3:C[5]-3:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5,5]C[5a])(C[5]C[5,5]O)(H)2	C[5,5](C[5,5]C[5]N[5])(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(O){1|C<4>,1|N<2>,2|C<3>}	C[5](C[5]C[5,5]C[5a])(C[5]C[5,5]O)(H)2{1|N<2>,1|N<3>,2|C<3>}	C[5,5](C[5,5]C[5]N[5])(C[5]C[5]C)(C[5]C[5]O){2|C<3>,2|H<1>}	106.7170	0.000	1	106.7170	0.000	1	106.6050	0.118	3	106.6050	0.118	3	108.8667	3.662	86	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5]	3:4:1:	3:3:1:1:	3:3:3:	C[5,5]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:H-1:H-1:	C[5,5]-3:C[5]-3:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(H)2	C[5,5](C[5,5]C[5]O[5])(C[5]C[6a]C[5])(C[5]C[5]O)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(O){1|O<2>,3|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(H)2{1|O<2>,3|C<3>}	C[5,5](C[5,5]C[5]O[5])(C[5]C[6a]C[5])(C[5]C[5]O){1|O<1>,2|H<1>,3|C<3>}	106.5490	0.465	2	106.5490	0.216	2	106.6050	0.118	3	106.6050	0.118	3	108.8667	3.662	86	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5]	3:4:1:	3:3:3:1:	3:3:3:	C[5,5]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:C-3:H-1:	C[5,5]-3:C[5]-3:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CH)(O)	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CC[5]H)(H)	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CH)(O){1|C<4>,3|C<3>}	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CC[5]H)(H){2|C<3>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	105.9140	0.000	1	105.9140	0.000	1	105.9140	0.000	1	105.9140	0.000	1	108.8667	3.662	86	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5]	3:4:1:	3:3:3:1:	4:4:3:	C[5,5]-3:C[5]-4:H-1:	C[5]-3:N[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(C[5]N[5]CH)(H)	C[5](C[5]C[5,5]H)(N[5]C[5,5]S)(COO)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]N[5]CH)(H){1|S<4>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]H)(N[5]C[5,5]S)(COO)(H){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(C[5]C[5]H){1|C<3>,1|S<4>,5|H<1>}	111.1247	0.026	3	111.1247	0.001	3	111.1247	0.001	3	111.1247	0.001	3	108.8667	3.662	86	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5]	3:4:1:	3:3:4:4:	3:3:3:	C[5,5]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:C-4:C-4:	C[5,5]-3:C[5]-3:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(O)	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(O){1|C<3>,3|C<4>}	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)2{2|C<3>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){1|C<3>,5|C<4>}	106.2630	0.000	1	106.8863	0.150	10	106.8863	0.150	10	106.8863	0.150	10	108.8667	3.662	86	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5]	3:4:1:	3:3:4:4:	3:3:3:	C[5,5]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:C-4:C-4:	C[5,5]-3:C[5]-3:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(O)	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(O){1|C<3>,3|C<4>}	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)2{2|C<3>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){1|O<1>,5|C<4>}	106.5910	0.084	3	106.8863	0.150	10	106.8863	0.150	10	106.8863	0.150	10	108.8667	3.662	86	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5]	3:4:1:	3:3:4:4:	3:3:3:	C[5,5]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:C-4:C-4:	C[5,5]-3:C[5]-3:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(O)	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(O){1|C<4>,3|C<3>}	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)2{2|C<3>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){1|C<3>,1|O<1>,4|C<4>}	107.0444	0.102	5	106.8863	0.150	10	106.8863	0.150	10	106.8863	0.150	10	108.8667	3.662	86	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5]	3:4:1:	3:3:4:4:	3:3:3:	C[5,5]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:C-4:C-4:	C[5,5]-3:C[5]-3:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(O)	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(O){1|C<4>,3|C<3>}	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)2{2|C<3>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	107.6050	0.000	1	106.8863	0.150	10	106.8863	0.150	10	106.8863	0.150	10	108.8667	3.662	86	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5]	3:4:1:	4:3:1:1:	4:3:3:	C[5,5]-3:C[5]-4:Br-1:	C[5]-4:C[5]-3:Br-1:H-1:	C[5]-4:C[5,5]-3:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]BrH)(Br)	C[5](C[5]C[5,5]BrH)(C[5]C[5,5]Br)(Br)(H)	C[5,5](C[5]C[5]BrH)(C[5,5]C[5]2)(C[5]C[5]Br)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]BrH)(Br){2|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5,5]BrH)(C[5]C[5,5]Br)(Br)(H){1|C<3>,1|C<4>}	C[5,5](C[5]C[5]BrH)(C[5,5]C[5]2)(C[5]C[5]Br){4|Br<1>,3|H<1>}	111.0230	0.000	1	111.0230	0.000	1	111.0230	0.000	1	110.9217	0.009	3	108.8667	3.662	86	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5]	3:4:1:	4:3:1:1:	4:3:3:	C[5,5]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5,5]-3:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H)2	C[5,5](C[5]C[6a]2C[5])(C[5,5]C[5]2)(C[5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){2|H<1>,4|C<3>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H)2{1|C<3>,1|C<4>}	C[5,5](C[5]C[6a]2C[5])(C[5,5]C[5]2)(C[5]C[5]H){1|O<1>,4|H<1>,5|C<3>}	110.8710	0.054	2	110.8710	0.003	2	110.8710	0.003	2	110.9217	0.009	3	108.8667	3.662	86	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5]	3:4:1:	4:3:1:1:	4:4:3:	C[5,5]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[3x5,6]-4:C[5]-4:C[5]-3:	C[5](C[5,5]C[3x5,6]C[5])(C[5]C[5,6]HH)(H)	C[5](C[5,6]C[3x5,6]C[6]H)(C[5]C[5,5]H)(H)2	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5,5]C[3x5,6]C[5])(C[5]C[5,6]HH)(H){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[3x5,6]C[6]H)(C[5]C[5,5]H)(H)2{1|O<1>,4|C<4>}	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)(C[5]C[5]H){2|C<3>,2|C<4>,7|H<1>}	111.9345	0.394	2	111.9345	0.155	2	111.9345	0.155	2	111.0056	0.886	5	108.8667	3.662	86	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5]	3:4:1:	4:3:1:1:	4:4:3:	C[5,5]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5,6]C[5])(C[5]C[5]HH)(H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]H)(H)2	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5])(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]H)(H)2{1|C<3>,1|C<4>,1|O<2>}	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]C[5]H){1|O<1>,2|C<3>,5|H<1>}	110.9630	0.000	1	110.9630	0.000	1	110.9630	0.000	1	111.0056	0.886	5	108.8667	3.662	86	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5]	3:4:1:	4:3:1:1:	4:4:3:	C[5,5]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H)2	C[5,5](C[5,5]C[5]2C)(C[5]N[5]HH)(C[5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H)2{1|C<3>,2|C<4>}	C[5,5](C[5,5]C[5]2C)(C[5]N[5]HH)(C[5]C[5]H){1|S<4>,6|H<1>}	110.0980	0.110	2	110.0980	0.012	2	110.0980	0.012	2	111.0056	0.886	5	108.8667	3.662	86	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5]	3:4:1:	4:3:3:1:	3:3:3:	C[5,5]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-3:C[5]-3:	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[6a]C[5]H)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2)(C[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[6a]C[5]H)(H){2|H<1>,5|C<3>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2)(C[5]C[5]H){3|C<3>,5|H<1>}	111.0860	0.000	1	111.0860	0.000	1	111.0860	0.000	1	111.0860	0.000	1	108.8667	3.662	86	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5]	3:4:1:	4:3:3:1:	3:4:3:	C[5,5]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[6a]C[5]H)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[6a]C[5]H)(H){1|N<3>,3|H<1>,4|C<3>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(C[6a]C[6a]2)(H){1|N<3>,3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]H){1|S<4>,3|C<3>,4|H<1>}	111.0480	0.000	1	111.0480	0.000	1	111.0480	0.000	1	111.0480	0.000	1	108.8667	3.662	86	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5]	3:4:1:	4:3:3:1:	4:4:3:	C[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5,5]-4:S[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]S[5])(C[5]C[5]HN)(O)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]O)(NCS)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(S[5]C[5,6a]NO)(C[5]C[5]O)	C[5](C[5,5]C[5,5]S[5])(C[5]C[5]HN)(O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]O)(NCS)(H){1|C<3>,1|H<1>,1|S<4>}	C[5,5](C[5,5]C[5,6a]C[5]H)(S[5]C[5,6a]NO)(C[5]C[5]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	104.1250	0.000	1	104.1250	0.000	1	104.1250	0.000	1	104.1250	0.000	1	108.8667	3.662	86	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5]	3:4:1:	4:3:3:3:	3:4:3:	C[5,5]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:C-3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(COO)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(H){2|C<3>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(COO)2{1|C<3>,1|C<4>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]H){1|O<1>,2|C<3>,3|H<1>}	110.7580	0.000	2	110.7580	0.000	2	110.7580	0.000	2	110.7580	0.000	2	108.8667	3.662	86	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5]	3:4:1:	4:3:4:1:	4:3:3:	C[5,5]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:C[5]-3:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CH)(H)	C[5](C[5]C[5,5]OO)(C[5]C[5,5]H)(CCHH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)(C[5]O[5]O)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CH)(H){1|C<4>,1|H<1>,1|O<1>,3|O<2>}	C[5](C[5]C[5,5]OO)(C[5]C[5,5]H)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)(C[5]O[5]O){1|C<4>,2|O<2>,3|H<1>}	110.4400	0.000	1	110.4400	0.000	1	110.4400	0.000	1	110.4400	0.000	1	108.8667	3.662	86	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5]	3:4:3:	3:3:3:1:	3:3:3:	C[5,5]-3:C[5]-4:C-3:	C[5]-3:C[5]-3:C-3:H-1:	C[5,5]-3:C[5]-3:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CH)(CCC)	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CC[5]H)(H)	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CH)(CCC){1|C<3>,1|C<4>,2|O<1>}	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CC[5]H)(H){2|C<3>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	105.5550	0.000	1	105.5550	0.000	1	105.5550	0.000	1	107.0765	4.630	2	108.8667	3.662	86	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5]	3:4:3:	3:3:3:1:	3:3:3:	C[5,5]-3:C[5]-4:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-3:C[5]-3:	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]P[5])(C[5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2){1|P<4>,2|H<1>,7|C<3>}	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2)(H){1|P<4>,2|H<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]P[5])(C[5]C[6a]C[5]){1|Se<1>,2|H<1>,7|C<3>}	108.5980	0.000	1	108.5980	0.000	1	108.5980	0.000	1	107.0765	4.630	2	108.8667	3.662	86	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5]	3:4:3:	3:3:3:1:	4:3:3:	C[5,5]-3:C[5]-4:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:H-1:	P[5]-4:C[5,5]-3:C[5]-3:	C[5](C[5,5]C[5,5]P[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2)(H)	C[5,5](P[5]C[5,6a]C[6a]Se)(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])	C[5](C[5,5]C[5,5]P[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2){1|Se<1>,2|H<1>,8|C<3>}	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2)(H){1|P<4>,2|H<1>,7|C<3>}	C[5,5](P[5]C[5,6a]C[6a]Se)(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]){1|H<1>,8|C<3>}	107.9120	0.000	1	107.9120	0.000	1	107.9120	0.000	1	107.9120	0.000	1	108.8667	3.662	86	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5]	3:4:3:	3:3:3:2:	3:3:3:	C[5,5]-3:C[5]-4:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5,5]-3:C[5]-3:	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[6a]C[5]O)(C[6a]C[6a]2)	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2)(OH)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[6a]C[5]O)(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2)(OH){1|H<1>,9|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]){1|H<1>,1|O<2>,7|C<3>}	107.4075	0.258	2	107.4075	0.067	2	107.4075	0.067	2	107.4075	0.067	2	108.8667	3.662	86	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5]	3:4:3:	3:3:4:4:	3:3:3:	C[5,5]-3:C[5]-4:C-3:	C[5]-3:C[5]-3:C-4:C-4:	C[5,5]-3:C[5]-3:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CCC)	C[5](C[5]C[5,5]C)2(CH3)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)2	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CCC){1|C<3>,3|C<4>}	C[5](C[5]C[5,5]C)2(CH3)2{2|C<3>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)2{1|C<3>,5|C<4>}	107.1930	0.000	1	107.2485	0.006	2	106.7248	0.250	8	106.7248	0.250	8	108.8667	3.662	86	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5]	3:4:3:	3:3:4:4:	3:3:3:	C[5,5]-3:C[5]-4:C-3:	C[5]-3:C[5]-3:C-4:C-4:	C[5,5]-3:C[5]-3:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CCC)	C[5](C[5]C[5,5]C)2(CH3)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)2	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CCC){1|C<3>,3|C<4>}	C[5](C[5]C[5,5]C)2(CH3)2{2|C<3>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)2{1|O<1>,5|C<4>}	107.3040	0.000	1	107.2485	0.006	2	106.7248	0.250	8	106.7248	0.250	8	108.8667	3.662	86	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5]	3:4:3:	3:3:4:4:	3:3:3:	C[5,5]-3:C[5]-4:C-3:	C[5]-3:C[5]-3:C-4:C-4:	C[5,5]-3:C[5]-3:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CCH)	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CCH){1|C<3>,1|C<4>,2|O<1>}	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)2{2|C<3>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){1|C<3>,1|O<1>,4|C<4>}	107.1630	0.000	1	107.1630	0.000	1	106.7248	0.250	8	106.7248	0.250	8	108.8667	3.662	86	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5]	3:4:3:	3:3:4:4:	3:3:3:	C[5,5]-3:C[5]-4:C-3:	C[5]-3:C[5]-3:C-4:C-4:	C[5,5]-3:C[5]-3:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CC[5]H)	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CC[5]H){1|C<3>,1|C<4>,2|O<1>}	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)2{2|C<3>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){1|C<3>,1|O<1>,4|C<4>}	105.9880	0.000	1	105.9880	0.000	1	106.7248	0.250	8	106.7248	0.250	8	108.8667	3.662	86	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5]	3:4:3:	3:3:4:4:	3:3:3:	C[5,5]-3:C[5]-4:C-3:	C[5]-3:C[5]-3:C-4:C-4:	C[5,5]-3:C[5]-3:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CHH)	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CHH){1|C<3>,1|C<4>,2|O<1>}	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)2{2|C<3>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){1|C<3>,1|O<1>,4|C<4>}	106.6213	0.342	3	106.5375	0.106	4	106.7248	0.250	8	106.7248	0.250	8	108.8667	3.662	86	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5]	3:4:3:	3:3:4:4:	3:3:3:	C[5,5]-3:C[5]-4:C-3:	C[5]-3:C[5]-3:C-4:C-4:	C[5,5]-3:C[5]-3:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CHH)	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CHH){1|C<3>,1|C<4>,2|O<1>}	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)2{2|C<3>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	106.2860	0.000	1	106.5375	0.106	4	106.7248	0.250	8	106.7248	0.250	8	108.8667	3.662	86	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5]	3:4:3:	3:4:3:1:	3:4:3:	C[5,5]-3:C[5]-4:C[6a]-3:	C[5]-3:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]O)(C[5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2){3|H<1>,3|O<2>,6|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]2)(H){2|H<1>,2|O<2>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]O)(C[5]C[6a]C[5]){2|H<1>,2|O<2>,5|C<3>}	110.1540	0.000	1	110.1540	0.000	1	110.1540	0.000	1	110.1540	0.000	1	108.8667	3.662	86	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5]	3:4:3:	3:4:3:1:	4:3:3:	C[5,5]-3:C[5]-4:C[6a]-3:	C[5]-3:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-3:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[6a]C[5])(C[5]C[5]C)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2){1|O<2>,2|C<2>,2|H<1>,7|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,6|C<3>}	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[6a]C[5])(C[5]C[5]C){1|C<2>,1|H<1>,1|N<3>,6|C<3>}	109.5510	0.030	2	109.5510	0.001	2	109.5510	0.001	2	109.5510	0.001	2	108.8667	3.662	86	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5]	3:4:3:	3:4:3:3:	3:4:4:	C[5,5]-3:C[5]-4:C[6a]-3:	C[5]-3:C[5]-4:C[6a]-3:C-3:	C[5]-3:C[5,5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]2)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2)(CCH)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]O[5]HH)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]2){1|O<2>,3|C<4>,4|C<3>,5|H<1>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2)(CCH){2|H<1>,3|C<4>,4|C<3>}	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]O[5]HH){4|C<3>,4|H<1>}	109.8900	0.000	1	109.8900	0.000	1	109.8900	0.000	1	109.8900	0.000	1	108.8667	3.662	86	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5]	3:4:3:	4:3:1:1:	3:3:3:	C[5,5]-3:C[5]-4:N-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-3:C[5]-3:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(NCC)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]N)(H)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]H)(C[5]C[5]N)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(NCC){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,5]CC)(C[5]C[5,5]N)(H)2{2|C<3>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]H)(C[5]C[5]N){1|B<3>,2|C<4>,3|H<1>}	108.4960	0.000	1	108.4960	0.000	1	109.4537	1.155	3	109.4537	1.155	3	108.8667	3.662	86	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5]	3:4:3:	4:3:1:1:	3:3:3:	C[5,5]-3:C[5]-4:N-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-3:C[5]-3:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(NCC)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]N)(H)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]H)(C[5]C[5]N)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(NCC){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]N)(H)2{2|C<3>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]H)(C[5]C[5]N){1|C<4>,5|H<1>}	109.9325	0.967	2	109.9325	0.934	2	109.4537	1.155	3	109.4537	1.155	3	108.8667	3.662	86	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5]	3:4:3:	4:3:1:1:	3:4:3:	C[5,5]-3:C[5]-4:N-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(NCC)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]N)(H)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]BH)(C[5]C[5]N)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(NCC){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,5]CC)(C[5]C[5,5]N)(H)2{1|C<3>,1|C<4>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]BH)(C[5]C[5]N){2|C<4>,4|H<1>}	108.6640	0.000	1	108.6640	0.000	1	108.6640	0.000	1	108.6640	0.000	1	108.8667	3.662	86	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5]	3:4:3:	4:3:1:1:	4:4:3:	C[5,5]-3:C[5]-4:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(COO)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]C)(H)2	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](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(COO){1|C<2>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[5,5]CC)(C[5]C[5,5]C)(H)2{1|C<3>,1|C<4>,1|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>}	111.3287	0.252	4	111.3287	0.064	4	111.3287	0.064	4	111.3287	0.064	4	108.8667	3.662	86	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5]	3:4:3:	4:3:2:1:	3:3:3:	C[5,5]-3:C[5]-4:N-3:	C[5]-4:C[5]-3:O-2:H-1:	N[5,5]-3:C[5]-3:N[5]-3:	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HO)(NOO)	C[5](C[5]N[5,5]CO)(C[5]C[5,5]N)(OC)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]N)(N[5]C[5]C)	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HO)(NOO){1|O<2>,4|C<4>}	C[5](C[5]N[5,5]CO)(C[5]C[5,5]N)(OC)(H){1|C<4>,1|N<3>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]N)(N[5]C[5]C){1|C<4>,2|O<2>,5|H<1>}	108.3270	0.429	2	108.3270	0.184	2	108.3270	0.184	2	108.3270	0.184	2	108.8667	3.662	86	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5]	3:4:3:	4:3:2:1:	4:3:4:	C[5,5]-3:C[5]-4:C[6a]-3:	C[5,5]-4:C[5]-3:O-2:H-1:	C[3x5]-4:C[5]-3:C[5]-4:	C[5](C[5,5]C[3x5]C[5])(C[5]C[5,5]HO)(C[6a]C[6a]2)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]C[6a])(OH)(H)	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[6a]C[5])(C[5]C[5]HH)	C[5](C[5,5]C[3x5]C[5])(C[5]C[5,5]HO)(C[6a]C[6a]2){2|C<3>,4|C<4>,5|H<1>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]C[6a])(OH)(H){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[6a]C[5])(C[5]C[5]HH){1|O<2>,2|C<3>,2|C<4>,8|H<1>}	110.5240	0.000	1	110.5240	0.000	1	110.5240	0.000	1	110.5240	0.000	1	108.8667	3.662	86	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5]	3:4:3:	4:3:3:1:	4:3:4:	C[5,5]-3:C[5]-4:C[6a]-3:	B[5]-4:C[5]-3:C[6a]-3:H-1:	C[5,5]-4:C[5]-3:C[5]-4:	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)	C[5,5](C[5,5]B[5]C[5]H)(C[5]C[6a]C[5])(C[5]N[5]HH)	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>}	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>}	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>}	111.3285	0.689	2	111.3285	0.475	2	111.3285	0.475	2	111.3285	0.475	2	108.8667	3.662	86	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5]	3:4:4:	3:3:4:4:	3:3:3:	C[5,5]-3:C[5]-4:C-4:	C[5]-3:C[5]-3:C-4:C-4:	C[5,5]-3:C[5]-3:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CCHH)	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CCHH){1|C<3>,1|C<4>,2|O<1>}	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)2{2|C<3>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){1|O<1>,5|C<4>}	109.4180	0.000	1	109.4180	0.000	1	109.4993	0.004	6	109.4993	0.004	6	108.8667	3.662	86	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5]	3:4:4:	3:3:4:4:	3:3:3:	C[5,5]-3:C[5]-4:C-4:	C[5]-3:C[5]-3:C-4:C-4:	C[5,5]-3:C[5]-3:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CH3)	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CH3){1|C<3>,1|C<4>,2|O<1>}	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)2{2|C<3>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){1|O<1>,5|C<4>}	109.5545	0.090	2	109.5545	0.008	2	109.4993	0.004	6	109.4993	0.004	6	108.8667	3.662	86	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5]	3:4:4:	3:3:4:4:	3:3:3:	C[5,5]-3:C[5]-4:C-4:	C[5]-3:C[5]-3:C-4:C-4:	C[5,5]-3:C[5]-3:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CH3)	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)2	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CH3){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)2{2|C<3>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)2{1|O<1>,5|C<4>}	109.4920	0.000	1	109.4920	0.000	1	109.4993	0.004	6	109.4993	0.004	6	108.8667	3.662	86	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5]	3:4:4:	3:3:4:4:	3:3:3:	C[5,5]-3:C[5]-4:C-4:	C[5]-3:C[5]-3:C-4:C-4:	C[5,5]-3:C[5]-3:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CH3)	C[5](C[5]C[5,5]C)2(CH3)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CH3){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5]C[5,5]C)2(CH3)2{2|C<3>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){1|C<3>,5|C<4>}	109.4840	0.000	1	109.4840	0.000	1	109.4993	0.004	6	109.4993	0.004	6	108.8667	3.662	86	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5]	3:4:4:	3:3:4:4:	3:3:3:	C[5,5]-3:C[5]-4:C-4:	C[5]-3:C[5]-3:C-4:C-4:	C[5,5]-3:C[5]-3:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CH3)	C[5](C[5]C[5,5]C)2(CH3)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)2	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CH3){1|C<4>,3|C<3>}	C[5](C[5]C[5,5]C)2(CH3)2{2|C<3>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)2{1|C<3>,5|C<4>}	109.4930	0.000	1	109.4930	0.000	1	109.4993	0.004	6	109.4993	0.004	6	108.8667	3.662	86	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5]	3:4:4:	4:3:1:1:	3:3:3:	C[5,5]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-3:C[5]-3:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]C)(H)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|O<2>,4|C<3>}	C[5](C[5]C[5,5]CC)(C[5]C[5,5]C)(H)2{2|C<3>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){3|C<3>,3|H<1>}	109.8890	0.000	1	109.8890	0.000	1	109.8890	0.000	1	109.8890	0.000	1	108.8667	3.662	86	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5]	3:4:4:	4:3:1:1:	4:4:3:	C[5,5]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5]-3:	C[5](C[5,5]C[5,5,6]C[5,5])(C[5]C[5]HH)(CCHH)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2	C[5,5](C[5,5,6]C[5,6]2C[5])(C[5,5]C[5]2H)(C[5]C[5]C)	C[5](C[5,5]C[5,5,6]C[5,5])(C[5]C[5]HH)(CCHH){3|H<1>,4|C<4>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2{1|H<1>,2|C<4>}	C[5,5](C[5,5,6]C[5,6]2C[5])(C[5,5]C[5]2H)(C[5]C[5]C){1|C<3>,1|N<3>,5|C<4>,7|H<1>}	109.0720	0.112	2	109.0720	0.012	2	109.0720	0.012	2	109.4580	0.538	8	108.8667	3.662	86	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5]	3:4:4:	4:3:1:1:	4:4:3:	C[5,5]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:	C[5](C[5,5]C[5,5]2)(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2C)(C[5]C[5]C)	C[5](C[5,5]C[5,5]2)(C[5]C[5]HH)(CH3){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2{1|C<4>,2|C<3>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2C)(C[5]C[5]C){1|O<1>,2|C<4>,7|H<1>}	110.5530	0.150	2	110.5530	0.022	2	110.5530	0.022	2	109.4580	0.538	8	108.8667	3.662	86	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5]	3:4:4:	4:3:1:1:	4:4:3:	C[5,5]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5]-3:	C[5](C[5,5]C[5,6,6]C[5,5])(C[5]C[5]HH)(CCHH)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2	C[5,5](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]C)	C[5](C[5,5]C[5,6,6]C[5,5])(C[5]C[5]HH)(CCHH){3|H<1>,4|C<4>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2{1|H<1>,2|C<4>}	C[5,5](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]C){1|C<3>,1|N<3>,1|O<2>,4|C<4>,7|H<1>}	109.2110	0.000	1	109.4335	0.099	2	109.4335	0.099	2	109.4580	0.538	8	108.8667	3.662	86	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5]	3:4:4:	4:3:1:1:	4:4:3:	C[5,5]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5]-3:	C[5](C[5,5]C[5,6,6]C[5,5])(C[5]C[5]HH)(CCHH)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2	C[5,5](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]C)	C[5](C[5,5]C[5,6,6]C[5,5])(C[5]C[5]HH)(CCHH){3|H<1>,4|C<4>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2{1|H<1>,2|C<4>}	C[5,5](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]C){1|C<3>,1|N<3>,4|C<4>,8|H<1>}	109.6560	0.000	1	109.4335	0.099	2	109.4335	0.099	2	109.4580	0.538	8	108.8667	3.662	86	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5]	3:4:4:	4:3:1:1:	4:4:3:	C[5,5]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(CCHH)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2	C[5,5](C[5,6]C[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]C)	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(CCHH){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2{1|H<1>,2|C<4>}	C[5,5](C[5,6]C[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]C){1|C<3>,1|O<1>,4|C<4>,7|H<1>}	108.7630	0.000	1	108.7630	0.000	1	108.7735	0.000	2	109.4580	0.538	8	108.8667	3.662	86	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5]	3:4:4:	4:3:1:1:	4:4:3:	C[5,5]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(CCHH)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2	C[5,5](C[5,6]C[6,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]C)	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(CCHH){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2{1|H<1>,2|C<4>}	C[5,5](C[5,6]C[6,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]C){1|C<3>,1|O<1>,4|C<4>,7|H<1>}	108.7840	0.000	1	108.7840	0.000	1	108.7735	0.000	2	109.4580	0.538	8	108.8667	3.662	86	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,5]	3:4:4:	4:3:3:1:	4:4:3:	C[5,5]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:C[5a]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5a]C[5]H)(CH3)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(C[5a]C[5a]2)(H)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]C)	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5a]C[5]H)(CH3){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(C[5a]C[5a]2)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]C){1|C<3>,3|C<4>,5|H<1>}	109.9383	0.308	3	109.9383	0.095	3	109.9383	0.095	3	109.9383	0.095	3	108.8667	3.662	86	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6,6]	3:4:1:	3:2:1:1:	4:4:3:	C[5,6,6]-3:C[5]-4:H-1:	C[5]-3:O[5]-2:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:	C[5](C[5,6,6]C[5,3x6]C[6,6])(C[5]O[5]HH)(H)	C[5](C[5]C[5,6,6]H)(O[5]C[5,3x6])(H)2	C[5,6,6](C[5,3x6]C[6,6]2O[5])(C[6,6]C[3x6]HH)(C[5]C[5]H)	C[5](C[5,6,6]C[5,3x6]C[6,6])(C[5]O[5]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6,6]H)(O[5]C[5,3x6])(H)2{1|C<4>,2|C<3>}	C[5,6,6](C[5,3x6]C[6,6]2O[5])(C[6,6]C[3x6]HH)(C[5]C[5]H){2|C<4>,2|H<1>,3|C<3>}	110.9780	0.000	1	110.9780	0.000	1	110.9780	0.000	1	110.9780	0.000	1	111.2410	0.138	2	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[5,6,6]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6,6]-4:C[4,6,6]-4:C[5]-3:	C[5](C[5,6,6]C[4,6,6]C[5,6,6])(C[5]C[5]HH)(H)	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6,6]H)(H)2	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[4,6,6]C[4,5,6]2H)(C[5]C[5]H)	C[5](C[5,6,6]C[4,6,6]C[5,6,6])(C[5]C[5]HH)(H){1|C<3>,2|H<1>,4|C<4>}	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6,6]H)(H)2{1|C<3>,2|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[4,6,6]C[4,5,6]2H)(C[5]C[5]H){1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<4>}	111.5040	0.000	1	111.5040	0.000	1	111.5040	0.000	1	111.5040	0.000	1	111.2410	0.138	2	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:3:4:	3:3:1:1:	4:3:3:	C[5,6]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-3:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5](C[5,6]C[5,6]2)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](C[5]C[5,6]C[6a])2(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])(C[5]C[6a]C[5])	C[5](C[5,6]C[5,6]2)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,3|H<1>,5|C<3>}	C[5](C[5]C[5,6]C[6a])2(H)2{2|C<4>,4|C<3>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])(C[5]C[6a]C[5]){1|C<4>,3|H<1>,7|C<3>}	108.0040	0.000	1	108.0040	0.000	1	108.0040	0.000	1	108.2925	0.166	2	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:3:4:	3:3:1:1:	4:3:3:	C[5,6]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-3:H-1:H-1:	C[6]-4:C[5,6]-3:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](C[5]C[5,6]C[6a])2(H)2	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5,6]C[5])(C[5]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6]C[6a])2(H)2{2|C<4>,4|C<3>}	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5,6]C[5])(C[5]C[6a]C[5]){3|H<1>,9|C<3>}	108.5810	0.000	1	108.5810	0.000	1	108.5810	0.000	1	108.2925	0.166	2	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:3:4:	3:3:3:1:	4:3:4:	C[5,6]-3:C[6a]-3:C[5]-4:	C[5]-3:N[5]-3:C-3:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]CH)	C[5](C[5]C[5,6]C[6a])(N[5]C[5,6]C)(COO)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5])(C[6]O[6]CH)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]CH){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5,6]C[6a])(N[5]C[5,6]C)(COO)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5])(C[6]O[6]CH){1|C<4>,1|H<1>,5|C<3>}	109.2100	0.000	1	109.2100	0.000	1	109.2100	0.000	1	109.2100	0.000	1	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:3:4:	3:4:1:1:	4:3:4:	C[5,6]-3:C[5a]-3:C[5]-4:	C[5]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5](C[5,6]C[5,6]C[6])(C[5a]C[5a]2)(C[5]C[5]HH)	C[5](C[5]C[5,6]C[5a])(C[5]C[5,6]HO)(H)2	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5a]C[5])(C[6]C[6]HH)	C[5](C[5,6]C[5,6]C[6])(C[5a]C[5a]2)(C[5]C[5]HH){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[5](C[5]C[5,6]C[5a])(C[5]C[5,6]HO)(H)2{2|C<3>,3|C<4>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5a]C[5])(C[6]C[6]HH){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	111.8600	0.000	1	111.8600	0.000	1	111.8600	0.000	1	111.8600	0.000	1	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:3:4:	3:4:3:1:	3:4:3:	C[5,6]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:C-3:F-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5](C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]CF)	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(COO)(F)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]C[5])	C[5](C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]CF){1|C<4>,4|H<1>,5|C<3>}	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(COO)(F){1|C<4>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]C[5]){1|F<1>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	109.7105	1.353	2	109.7105	1.830	2	109.7105	1.830	2	109.7105	1.830	2	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:3:4:	3:4:4:4:	3:4:3:	C[5,6]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:C-4:C-4:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5](C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(CH3)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]C[5])	C[5](C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]CC){1|C<4>,4|H<1>,5|C<3>}	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(CH3)2{1|C<4>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]C[5]){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	111.9700	0.000	1	111.9700	0.000	1	111.9700	0.000	1	111.9700	0.000	1	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:1:	3:2:1:1:	4:4:3:	C[5,6]-3:C[5]-4:H-1:	C[5]-3:O[5]-2:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(H)	C[5](C[5]C[5,6]H)(O[5]C[5,6])(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(C[5]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(H){2|C<4>,3|H<1>}	C[5](C[5]C[5,6]H)(O[5]C[5,6])(H)2{1|H<1>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(C[5]C[5]H){1|C<4>,1|N<3>,5|H<1>}	109.9260	0.000	1	109.9260	0.000	1	109.9260	0.000	1	109.9260	0.000	1	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:1:	3:2:2:1:	4:4:3:	C[5,6]-3:C[5]-4:H-1:	C[5]-3:O[5]-2:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HO)(H)	C[5](C[5]C[5,6]H)(O[5]C[5,6])(OC)(H)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]CO)(C[5]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HO)(H){2|O<2>,3|C<4>}	C[5](C[5]C[5,6]H)(O[5]C[5,6])(OC)(H){1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]CO)(C[5]C[5]H){1|O<2>,2|C<4>,4|H<1>}	110.1095	0.375	2	110.1095	0.141	2	110.1095	0.141	2	110.1095	0.141	2	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:1:	3:2:4:2:	3:3:3:	C[5,6]-3:C[5]-4:H-1:	C[5]-3:O[5]-2:C-4:O-2:	C[5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CO)(H)	C[5](C[5]C[5,6]H)(O[5]C[5,6])(CCCH)(OH)	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]H)(C[6]C[6]2)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CO)(H){1|C<4>,2|C<3>}	C[5](C[5]C[5,6]H)(O[5]C[5,6])(CCCH)(OH){2|C<3>}	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]H)(C[6]C[6]2){1|C<3>,1|H<1>,3|C<4>,3|O<2>}	110.6850	0.000	1	110.5195	0.055	2	110.5195	0.055	2	109.4095	1.665	4	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:1:	3:2:4:2:	3:3:3:	C[5,6]-3:C[5]-4:H-1:	C[5]-3:O[5]-2:C-4:O-2:	C[5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CO)(H)	C[5](C[5]C[5,6]H)(O[5]C[5,6])(CCCH)(OH)	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]H)(C[6]C[6]2)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CO)(H){1|C<4>,2|C<3>}	C[5](C[5]C[5,6]H)(O[5]C[5,6])(CCCH)(OH){2|C<3>}	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]H)(C[6]C[6]2){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	110.3540	0.000	1	110.5195	0.055	2	110.5195	0.055	2	109.4095	1.665	4	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:1:	3:2:4:2:	3:3:3:	C[5,6]-3:C[5]-4:O-1:	C[5]-3:O[5]-2:C-4:O-2:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5](C[5,6]C[6,6a]C[5,6])(C[5]O[5]CO)(O)	C[5](C[5]C[5,6]O)(O[5]C[5,6])(CH3)(OC)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5])(C[5]C[5]O)	C[5](C[5,6]C[6,6a]C[5,6])(C[5]O[5]CO)(O){3|C<3>}	C[5](C[5]C[5,6]O)(O[5]C[5,6])(CH3)(OC){2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5])(C[5]C[5]O){2|C<4>,2|O<2>,3|C<3>}	108.2995	0.111	2	108.2995	0.012	2	108.2995	0.012	2	109.4095	1.665	4	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:1:	3:3:1:1:	3:3:3:	C[5,6]-3:C[5]-4:O-1:	C[5]-3:N[5]-3:H-1:H-1:	C[5,6]-3:C[5]-3:N[6]-3:	C[5](C[5,6]C[5,6]N[6])(C[5]N[5]HH)(O)	C[5](C[5]C[5,6]O)(N[5]C[5,6]C)(H)2	C[5,6](C[5,6]N[5]N[6])(C[5]C[5]O)(N[6]C[6]C)	C[5](C[5,6]C[5,6]N[6])(C[5]N[5]HH)(O){1|C<3>,1|N<3>,2|C<4>}	C[5](C[5]C[5,6]O)(N[5]C[5,6]C)(H)2{2|N<3>}	C[5,6](C[5,6]N[5]N[6])(C[5]C[5]O)(N[6]C[6]C){1|O<1>,2|H<1>,3|C<4>}	106.0310	0.000	1	106.0310	0.000	1	106.0310	0.000	1	106.0310	0.000	1	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:1:	3:3:1:1:	4:3:3:	C[5,6]-3:C[5]-4:H-1:	N[5,6]-3:C[5]-3:H-1:H-1:	C[5,6,6]-4:C[5]-3:C[6]-3:	C[5](C[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]H)(H)2	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[5]C[5]H)(C[6]C[6]H)	C[5](C[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H){1|H<1>,2|C<3>,2|C<4>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]H)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[5]C[5]H)(C[6]C[6]H){2|C<3>,2|C<4>,5|H<1>}	111.2397	0.591	3	111.2397	0.350	3	111.2397	0.350	3	111.2397	0.350	3	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:1:	3:3:1:1:	4:4:3:	C[5,6]-3:C[5]-4:H-1:	C[5]-3:N[5]-3:H-1:H-1:	C[3,6]-4:C[5,6]-4:C[5]-3:	C[5](C[5,6]C[3,6]C[5,6])(C[5]N[5]HH)(H)	C[5](C[5]C[5,6]H)(N[5]C[5,6]S)(H)2	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[6]N[5]H)(C[5]C[5]H)	C[5](C[5,6]C[3,6]C[5,6])(C[5]N[5]HH)(H){1|O<2>,1|S<4>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]H)(N[5]C[5,6]S)(H)2{1|H<1>,2|C<4>}	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[6]N[5]H)(C[5]C[5]H){1|C<4>,1|S<4>,5|H<1>}	112.1860	0.392	2	112.1860	0.153	2	112.1860	0.153	2	112.1860	0.153	2	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:1:	3:3:3:1:	3:4:3:	C[5,6]-3:C[5]-4:H-1:	N[5]-3:C[5]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5](C[5,6]C[6,6a]C[5,6])(C[5]C[6a]N[5]H)(H)	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]2)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]C)(C[5]C[5]H)	C[5](C[5,6]C[6,6a]C[5,6])(C[5]C[6a]N[5]H)(H){1|C<4>,6|C<3>}	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]2)(H){1|C<4>,2|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]C)(C[5]C[5]H){1|N<3>,4|C<3>,4|H<1>}	112.7550	0.000	1	112.7550	0.000	1	112.7550	0.000	1	112.7550	0.000	1	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:1:	3:3:3:1:	4:4:3:	C[5,6]-3:C[5]-4:H-1:	C[5]-3:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]N[5]H)(H)	C[5](C[5]C[5,6]H)(C[6a]C[6a]2)(N[5]C[5,6]S)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(C[5]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]N[5]H)(H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]H)(C[6a]C[6a]2)(N[5]C[5,6]S)(H){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(C[5]C[5]H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	113.0420	0.000	1	113.0420	0.000	1	113.0420	0.000	1	112.4020	0.819	2	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:1:	3:3:3:1:	4:4:3:	C[5,6]-3:C[5]-4:H-1:	C[5]-3:N[5]-3:C-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]CH)(H)	C[5](C[5]C[5,6]H)(N[5]C[5,6]S)(COO)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(C[5]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]CH)(H){1|S<4>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]H)(N[5]C[5,6]S)(COO)(H){1|H<1>,2|C<4>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(C[5]C[5]H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	111.7620	0.000	1	111.7620	0.000	1	111.7620	0.000	1	112.4020	0.819	2	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:1:	3:3:3:2:	3:3:3:	C[5,6]-3:C[5]-4:O-1:	C[5]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]2O[5])(O)	C[5](C[5]C[5,6]O)(C[6a]C[6a]2)2(O[5]C[5,6])	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]O)(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]2O[5])(O){1|O<1>,2|C<4>,4|C<3>}	C[5](C[5]C[5,6]O)(C[6a]C[6a]2)2(O[5]C[5,6]){1|C<4>,4|H<1>,5|C<3>}	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]O)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	105.2700	0.000	1	105.2700	0.000	1	105.2700	0.000	1	105.2700	0.000	1	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:1:	3:3:4:3:	3:4:3:	C[5,6]-3:C[5]-4:O-1:	N[5]-3:C[5]-3:C-4:C-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]CC)(O)	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]O)(CH3)(COO)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(C[5]C[5]O)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]CC)(O){1|C<3>,2|C<4>,2|H<1>}	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]O)(CH3)(COO){2|C<3>,2|C<4>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(C[5]C[5]O){2|C<3>,2|C<4>,4|H<1>}	106.4620	0.000	1	106.4620	0.000	1	106.4620	0.000	1	106.4620	0.000	1	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:1:	3:3:4:4:	3:4:3:	C[5,6]-3:C[5]-4:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C[5,6]-3:C[6]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)	C[5](C[5]C[5,6]C)(C[5]C[5,6]H)(CH3)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H){2|H<1>,3|C<4>}	C[5](C[5]C[5,6]C)(C[5]C[5,6]H)(CH3)2{2|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]H){4|C<4>,4|H<1>}	111.3290	0.000	1	111.3290	0.000	1	111.3290	0.000	1	111.3290	0.000	1	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:1:	4:3:1:1:	3:3:3:	C[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5,6](C[5,6]C[4,6]C[5])(C[5]C[5]O)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<3>,1|C<4>}	C[5,6](C[5,6]C[4,6]C[5])(C[5]C[5]O)(C[6]C[6]H){2|C<4>,6|H<1>}	107.9580	0.000	1	107.9580	0.000	1	107.9580	0.000	1	106.9535	2.018	2	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:1:	4:3:1:1:	3:3:3:	C[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[5]-3:N[6]-3:	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O)(N[6]C[6]S)	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]HH)(O){1|H<1>,1|S<4>,3|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)2{1|C<4>,1|N<3>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O)(N[6]C[6]S){3|C<4>,6|H<1>}	105.9490	0.000	1	105.9490	0.000	1	105.9490	0.000	1	106.9535	2.018	2	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:1:	4:3:1:1:	3:4:3:	C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(H)	C[5](C[5,6]C[5,6]2C[6])(C[5]C[5,6]H)(H)2	C[5,6](C[5,6]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]2C[6])(C[5]C[5,6]H)(H)2{1|C<3>,1|O<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]H){1|C<3>,3|C<4>,4|H<1>}	111.8560	0.000	1	111.8560	0.000	1	111.8560	0.000	1	109.1740	3.098	11	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:1:	4:3:1:1:	3:4:3:	C[5,6]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[5,6]-4:C[5]-3:	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(H)2	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(H){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(H)2{1|C<4>,2|C<3>}	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	111.4800	0.000	1	111.4800	0.000	1	111.4800	0.000	1	109.1740	3.098	11	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:1:	4:3:1:1:	3:4:3:	C[5,6]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]CC)(C[5]C[5,6]H)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]N[6]HH)(C[5]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]CC)(C[5]C[5,6]H)(H)2{1|C<3>,1|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]N[6]HH)(C[5]C[5]H){1|C<3>,3|C<4>,3|H<1>}	112.3190	0.000	1	112.3190	0.000	1	112.3190	0.000	1	109.1740	3.098	11	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:1:	4:3:1:1:	3:4:3:	C[5,6]-3:C[5]-4:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5,6]-3:C[6]-4:C[5]-3:	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]HH)(O)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]O)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5])(C[6]C[6]HH)(C[5]C[5]O)	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]HH)(O){3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]O)(H)2{2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5])(C[6]C[6]HH)(C[5]C[5]O){4|C<4>,5|H<1>}	108.1360	0.000	1	108.1360	0.000	1	108.1360	0.000	1	109.1740	3.098	11	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:1:	4:3:1:1:	3:4:3:	C[5,6]-3:C[5]-4:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6,6]-3:C[6]-4:C[5]-3:	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(O)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O)(H)2	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]O)	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(O){3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O)(H)2{2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]O){4|C<4>,5|H<1>}	108.0940	0.000	1	108.0940	0.000	1	108.0617	0.001	3	109.1740	3.098	11	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:1:	4:3:1:1:	3:4:3:	C[5,6]-3:C[5]-4:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6,6]-3:C[6]-4:C[5]-3:	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(O)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O)(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[5,6]HH)(C[5]C[5]O)	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(O){3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O)(H)2{2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[5,6]HH)(C[5]C[5]O){1|C<3>,3|C<4>,5|H<1>}	108.0455	0.028	2	108.0455	0.001	2	108.0617	0.001	3	109.1740	3.098	11	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:1:	4:3:1:1:	3:4:3:	C[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5,6](C[5,6]C[5]N[6])(C[6]C[5,6]CC)(C[5]C[5]O)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<4>,1|N<3>}	C[5,6](C[5,6]C[5]N[6])(C[6]C[5,6]CC)(C[5]C[5]O){3|C<3>,4|H<1>}	107.8160	0.000	1	107.8160	0.000	1	108.1510	0.086	3	109.1740	3.098	11	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:1:	4:3:1:1:	3:4:3:	C[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5,6](C[5,6]C[5]O[6])(C[6]C[5]C[6]H)(C[5]C[5]O)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<4>,1|O<2>}	C[5,6](C[5,6]C[5]O[6])(C[6]C[5]C[6]H)(C[5]C[5]O){1|C<2>,1|C<3>,1|S<2>,5|H<1>}	108.2710	0.000	1	108.2710	0.000	1	108.1510	0.086	3	109.1740	3.098	11	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:1:	4:3:1:1:	3:4:3:	C[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5,6](C[5,6]C[5]O[6])(C[6]C[6,6a]HH)(C[5]C[5]O)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){1|C<3>,1|O<2>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<4>,1|O<2>}	C[5,6](C[5,6]C[5]O[6])(C[6]C[6,6a]HH)(C[5]C[5]O){2|C<3>,4|H<1>}	108.3660	0.000	1	108.3660	0.000	1	108.1510	0.086	3	109.1740	3.098	11	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:1:	4:3:1:1:	3:4:3:	C[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]O)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(O){1|H<1>,5|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)2{1|C<3>,2|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]O){1|O<2>,4|C<4>,7|H<1>}	108.4850	0.000	1	108.4850	0.000	1	108.4850	0.000	1	109.1740	3.098	11	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:1:	4:3:1:1:	4:3:3:	C[5,6]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]CC)(C[5]C[5,6]H)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]H)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6]CC)(C[5]C[5,6]H)(H)2{1|C<3>,1|C<4>,1|O<2>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]H)(C[6]C[6]H){1|C<3>,3|C<4>,4|H<1>}	111.9305	0.163	2	111.9305	0.027	2	111.8113	0.056	3	109.1372	3.244	18	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:1:	4:3:1:1:	4:3:3:	C[5,6]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]H)(C[6]C[6]C)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H){1|C<2>,1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]H)(C[6]C[6]C){1|N<3>,3|C<4>,4|H<1>}	111.5730	0.000	1	111.5730	0.000	1	111.8113	0.056	3	109.1372	3.244	18	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:1:	4:3:1:1:	4:3:3:	C[5,6]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:N[6]-3:	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]H)(N[6]C[6]C)	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H)2{1|C<3>,1|C<4>,1|N<3>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]H)(N[6]C[6]C){1|C<4>,1|O<1>,6|H<1>}	110.6320	0.000	1	110.6320	0.000	1	110.6320	0.000	1	109.1372	3.244	18	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:1:	4:3:1:1:	4:3:3:	C[5,6]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:N[5,6]-3:C[5]-3:	C[5](C[5,6]C[5,6]N[5,6])(C[5]C[5]HH)(H)	C[5](C[5]N[5,6]HH)(C[5]C[5,6]H)(H)2	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](C[5,6]C[5,6]N[5,6])(C[5]C[5]HH)(H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]N[5,6]HH)(C[5]C[5,6]H)(H)2{1|C<3>,1|C<4>}	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>}	111.5100	0.624	2	111.5100	0.389	2	111.5100	0.389	2	109.1372	3.244	18	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:1:	4:3:1:1:	4:3:3:	C[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]O[6])(C[5]C[5]O)	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(O){1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<4>,1|O<2>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]O[6])(C[5]C[5]O){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	108.3825	0.220	2	108.3825	0.048	2	108.1310	0.112	5	109.1372	3.244	18	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:1:	4:3:1:1:	4:3:3:	C[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5,6]C[5]C[6])(C[5]C[5]O)	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(O){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<3>,1|C<4>}	C[5,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5,6]C[5]C[6])(C[5]C[5]O){1|N<3>,1|O<1>,1|S<2>,4|C<3>,5|H<1>}	107.8180	0.250	2	107.8180	0.063	2	108.1310	0.112	5	109.1372	3.244	18	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:1:	4:3:1:1:	4:3:3:	C[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5,6](C[5,6]C[5a,6]C[5]2)(C[5,6]C[5]O[6])(C[5]C[5]O)	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(O){1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<4>,1|O<2>}	C[5,6](C[5,6]C[5a,6]C[5]2)(C[5,6]C[5]O[6])(C[5]C[5]O){2|O<1>,4|C<3>,4|H<1>}	108.2540	0.000	1	108.2540	0.000	1	108.1310	0.112	5	109.1372	3.244	18	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:1:	4:3:1:1:	4:3:3:	C[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5,6](C[5,6]C[4x6]C[5]H)(C[5]C[5]O)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[5,6]C[4x6]C[5]H)(C[5]C[5]O)(C[6]C[6]H){1|C<4>,2|C<3>,5|H<1>}	107.5620	0.000	1	107.5620	0.000	1	107.5620	0.000	1	109.1372	3.244	18	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:1:	4:3:1:1:	4:3:3:	C[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]H)(C[5]C[5]O)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){1|C<3>,1|O<2>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<3>,1|H<1>,1|O<2>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]H)(C[5]C[5]O){2|C<3>,4|H<1>}	107.3110	0.181	2	107.3110	0.033	2	107.3110	0.033	2	109.1372	3.244	18	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:1:	4:3:1:1:	4:3:3:	C[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6]-4:C[5,6]-3:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]C[6])(C[5]C[5]O)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<3>,1|C<4>}	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]C[6])(C[5]C[5]O){1|S<2>,4|C<3>,5|H<1>}	107.3130	0.000	1	107.3130	0.000	1	108.1360	0.330	4	109.1372	3.244	18	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:1:	4:3:1:1:	4:3:3:	C[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6]-4:C[5,6]-3:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6])(C[5]C[5]O)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<4>,1|N<3>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6])(C[5]C[5]O){4|C<3>,5|H<1>}	108.3850	0.286	2	108.3850	0.082	2	108.1360	0.330	4	109.1372	3.244	18	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:1:	4:3:1:1:	4:3:3:	C[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6]-4:C[5,6]-3:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]N[6])(C[5]C[5]O)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<4>,1|N<3>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]N[6])(C[5]C[5]O){4|C<3>,5|H<1>}	108.4610	0.000	1	108.4610	0.000	1	108.1360	0.330	4	109.1372	3.244	18	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:1:	4:3:1:1:	4:4:3:	C[5,6]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-3:	C[5](C[5,6]C[5,6,6]C[5,6])(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H)2	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5,6]C[5]O[6]H)(C[5]C[5]H)	C[5](C[5,6]C[5,6,6]C[5,6])(C[5]C[5]HH)(H){1|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5,6]C[5]O[6]H)(C[5]C[5]H){2|C<3>,3|C<4>,8|H<1>}	112.5360	0.000	1	112.5360	0.000	1	112.5360	0.000	1	112.2344	0.529	21	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:1:	4:3:1:1:	4:4:3:	C[5,6]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(H)2	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(H){1|C<3>,1|H<1>,5|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(H)2{1|C<3>,2|C<4>}	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>,7|H<1>}	112.1730	0.000	1	112.2210	0.019	3	111.6497	0.526	6	112.2344	0.529	21	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:1:	4:3:1:1:	4:4:3:	C[5,6]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(H)2	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(H){1|C<3>,1|H<1>,5|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(H)2{1|C<3>,2|C<4>}	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|Cl<1>,1|C<3>,2|C<4>,2|O<2>,6|H<1>}	112.1140	0.000	1	112.2210	0.019	3	111.6497	0.526	6	112.2344	0.529	21	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:1:	4:3:1:1:	4:4:3:	C[5,6]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(H)2	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(H){1|H<1>,6|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(H)2{3|C<4>}	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|O<2>,3|C<4>,8|H<1>}	112.3760	0.000	1	112.2210	0.019	3	111.6497	0.526	6	112.2344	0.529	21	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:1:	4:3:1:1:	4:4:3:	C[5,6]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]H)(H)2	C[5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]H)(H)2{2|C<3>,3|C<4>}	C[5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|C<3>,3|C<4>,6|H<1>}	110.7910	0.375	2	111.0783	0.318	3	111.6497	0.526	6	112.2344	0.529	21	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:1:	4:3:1:1:	4:4:3:	C[5,6]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]H)(H)2	C[5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]H)(H)2{2|C<3>,3|C<4>}	C[5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H){2|C<3>,2|C<4>,6|H<1>}	111.6530	0.000	1	111.0783	0.318	3	111.6497	0.526	6	112.2344	0.529	21	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:1:	4:3:1:1:	4:4:3:	C[5,6]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H){1|C<3>,1|H<1>,5|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(H)2{1|C<3>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]H){1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	113.3820	0.000	1	112.9180	0.431	2	112.7094	0.243	5	112.2344	0.529	21	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:1:	4:3:1:1:	4:4:3:	C[5,6]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H){1|H<1>,6|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(H)2{3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]H){1|C<3>,2|C<4>,6|H<1>}	112.4540	0.000	1	112.9180	0.431	2	112.7094	0.243	5	112.2344	0.529	21	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:1:	4:3:1:1:	4:4:3:	C[5,6]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H)2{1|H<1>,2|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	112.8520	0.000	1	112.8520	0.000	1	112.7094	0.243	5	112.2344	0.529	21	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:1:	4:3:1:1:	4:4:3:	C[5,6]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H){3|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H)2{3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]H){1|C<4>,2|O<2>,6|H<1>}	112.4295	0.528	2	112.4295	0.279	2	112.7094	0.243	5	112.2344	0.529	21	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:1:	4:3:1:1:	4:4:3:	C[5,6]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]H)(H)2	C[5,6](C[6,6]C[3x6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H){1|H<1>,2|C<3>,4|C<4>}	C[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]H)(H)2{2|C<3>,3|C<4>}	C[5,6](C[6,6]C[3x6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	112.5360	0.000	1	112.5360	0.000	1	112.3269	0.453	9	112.2344	0.529	21	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:1:	4:3:1:1:	4:4:3:	C[5,6]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]H)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H){1|C<3>,1|H<1>,5|C<4>}	C[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]H)(H)2{2|C<3>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	112.1707	0.970	4	112.1418	0.710	5	112.3269	0.453	9	112.2344	0.529	21	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:1:	4:3:1:1:	4:4:3:	C[5,6]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]H)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H){1|C<3>,1|H<1>,5|C<4>}	C[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]H)(H)2{2|C<3>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	112.0260	0.000	1	112.1418	0.710	5	112.3269	0.453	9	112.2344	0.529	21	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:1:	4:3:1:1:	4:4:3:	C[5,6]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H)2	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H){1|O<2>,2|H<1>,4|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H)2{3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	112.9890	0.000	1	112.9890	0.000	1	112.3269	0.453	9	112.2344	0.529	21	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:1:	4:3:1:1:	4:4:3:	C[5,6]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H)2	C[5,6](C[6,6]C[6,6]N[5,6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]H)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H){1|N<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H)2{1|H<1>,2|C<4>}	C[5,6](C[6,6]C[6,6]N[5,6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]H){4|C<4>,7|H<1>}	112.0970	0.000	1	112.3540	0.132	2	112.3269	0.453	9	112.2344	0.529	21	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:1:	4:3:1:1:	4:4:3:	C[5,6]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H)2	C[5,6](C[6,6]C[6,6]N[5,6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]H)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H){1|N<4>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H)2{1|H<1>,2|C<4>}	C[5,6](C[6,6]C[6,6]N[5,6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]H){5|C<4>,7|H<1>}	112.6110	0.000	1	112.3540	0.132	2	112.3269	0.453	9	112.2344	0.529	21	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:1:	4:3:2:1:	4:4:3:	C[5,6]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HO)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(OC)(H)	C[5,6](C[5,6]C[5]O[6]C)(C[6]O[6]HH)(C[5]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HO)(H){1|C<4>,2|O<2>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(OC)(H){1|O<2>,2|C<4>}	C[5,6](C[5,6]C[5]O[6]C)(C[6]O[6]HH)(C[5]C[5]H){1|C<4>,1|O<2>,3|H<1>}	111.7440	0.000	1	111.7440	0.000	1	111.7440	0.000	1	111.7440	0.000	1	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:1:	4:3:3:1:	3:3:2:	C[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5,6]-3:C[5]-3:O[6]-2:	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]CH)(O)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(COO)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O)(O[6]C[6])	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]CH)(O){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(COO)(H){1|C<4>,1|O<2>,2|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O)(O[6]C[6]){1|C<4>,2|C<3>,6|H<1>}	105.8443	0.508	3	105.8443	0.258	3	105.8443	0.258	3	105.8443	0.258	3	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:1:	4:3:3:1:	3:3:3:	C[5,6]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-3:	C[5](C[5,6]C[6,6a]N[5,6])(C[5]C[5]CH)(H)	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]H)(COO)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]C[5]H)	C[5](C[5,6]C[6,6a]N[5,6])(C[5]C[5]CH)(H){1|H<1>,1|S<4>,3|C<3>}	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]H)(COO)(H){1|S<4>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]C[5]H){1|O<2>,2|O<1>,3|H<1>,4|C<3>}	110.4350	0.000	1	110.4350	0.000	1	110.4350	0.000	1	110.4350	0.000	1	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:1:	4:3:3:1:	4:3:3:	C[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)(O)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(COO)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]O)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)(O){1|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(COO)(H){2|C<4>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]O)(C[6]C[6]H){1|C<4>,2|C<3>,6|H<1>}	107.4990	0.000	1	107.4990	0.000	1	107.4990	0.000	1	107.4990	0.000	1	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:1:	4:3:3:2:	3:4:3:	C[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-3:O-2:	C[5,6]-3:C[6]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CO)(O)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CCO)(OC)	C[5,6](C[5,6]C[5]O[6])(C[6]C[6]CH)(C[5]C[5]O)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CO)(O){1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CCO)(OC){1|C<4>,1|O<2>}	C[5,6](C[5,6]C[5]O[6])(C[6]C[6]CH)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	108.5998	1.133	4	108.5998	1.285	4	108.5998	1.285	4	108.5998	1.285	4	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:1:	4:3:3:3:	3:4:3:	C[5,6]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:C-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]CC)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(COO)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)	C[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]CC)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(COO)2{1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	113.2030	0.000	1	112.4933	0.475	3	112.4933	0.475	3	112.4933	0.475	3	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:1:	4:3:3:3:	3:4:3:	C[5,6]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:C-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]CC)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(COO)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)	C[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]CC)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(COO)2{1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H){1|S<2>,4|C<3>,5|H<1>}	112.4510	0.000	1	112.4933	0.475	3	112.4933	0.475	3	112.4933	0.475	3	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:1:	4:3:3:3:	3:4:3:	C[5,6]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:C-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]CC)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(COO)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)	C[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]CC)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(COO)2{1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H){5|C<3>,5|H<1>}	111.8260	0.000	1	112.4933	0.475	3	112.4933	0.475	3	112.4933	0.475	3	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:1:	4:3:4:1:	3:3:2:	C[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:Br-1:	C[5,6]-3:C[5]-3:O[6]-2:	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]BrC)(O)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CH3)(Br)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O)(O[6]C[6])	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]BrC)(O){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CH3)(Br){1|C<4>,1|O<2>,2|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O)(O[6]C[6]){1|Br<1>,1|C<3>,2|C<4>,5|H<1>}	105.9380	0.000	1	105.9380	0.000	1	105.9380	0.000	1	106.4953	0.237	3	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:1:	4:3:4:1:	3:3:2:	C[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5,6]-3:C[5]-3:O[6]-2:	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]CH)(O)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CH3)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O)(O[6]C[6])	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]CH)(O){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CH3)(H){1|C<4>,1|O<2>,2|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O)(O[6]C[6]){1|C<3>,2|C<4>,6|H<1>}	106.7740	0.086	2	106.7740	0.007	2	106.7740	0.007	2	106.4953	0.237	3	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:1:	4:3:4:1:	3:4:3:	C[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)(O)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CH3)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HO)(C[5]C[5]O)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)(O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CH3)(H){1|C<3>,1|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HO)(C[5]C[5]O){1|O<1>,3|H<1>,4|C<4>}	108.8080	0.000	1	108.8080	0.000	1	108.8080	0.000	1	108.8080	0.000	1	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:1:	4:3:4:1:	4:3:3:	C[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5](C[5,6]C[5,6]2)(C[5]C[5]CH)(O)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]O)(CCHH)(H)	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])(C[5]C[5]O)	C[5](C[5,6]C[5,6]2)(C[5]C[5]CH)(O){1|C<3>,1|H<1>,4|C<4>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]O)(CCHH)(H){1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])(C[5]C[5]O){1|O<1>,1|O<2>,5|H<1>,7|C<4>}	108.4730	0.000	1	108.4730	0.000	1	108.4730	0.000	1	108.4730	0.000	1	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:1:	4:3:4:4:	4:3:3:	C[5,6]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5,6]-4:C[5]-3:C[6]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)	C[5](C[5]C[5,6]HO)(C[5]C[5,6]H)(CH3)2	C[5,6](C[5,6]C[4,6]C[5]O)(C[5]C[5]H)(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	C[5](C[5]C[5,6]HO)(C[5]C[5,6]H)(CH3)2{1|C<3>,1|C<4>,1|O<2>}	C[5,6](C[5,6]C[4,6]C[5]O)(C[5]C[5]H)(C[6]C[6]O){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	113.2240	0.000	1	113.2240	0.000	1	113.2240	0.000	1	111.3280	9.389	3	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:1:	4:3:4:4:	4:3:3:	C[5,6]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5,6]-4:C[5]-3:N[6]-3:	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]CC)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(CH3)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]H)(N[6]C[6]C)	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]CC)(H){1|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(CH3)2{1|N<3>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]H)(N[6]C[6]C){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	112.9670	0.000	1	112.9670	0.000	1	112.9670	0.000	1	111.3280	9.389	3	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:1:	4:3:4:4:	4:3:3:	C[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5,6]-4:C[5]-3:C[6]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(O)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CH3)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(O){2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O)(C[6]C[6]H){1|C<3>,3|H<1>,5|C<4>}	107.7930	0.000	1	107.7930	0.000	1	107.7930	0.000	1	111.3280	9.389	3	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:2:	4:3:1:1:	3:3:2:	C[5,6]-3:C[5]-4:N-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[5]-3:O[6]-2:	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]HH)(NO)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]N)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]N)(O[6]C[6])	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]HH)(NO){2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]N)(H)2{1|C<4>,1|O<2>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]N)(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	107.5120	0.000	1	107.5120	0.000	1	107.5120	0.000	1	107.5120	0.000	1	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:2:	4:3:4:1:	3:3:3:	C[5,6]-3:C[5]-4:C-2:	C[5]-4:C[5]-3:C-4:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]CH)(CRu)	C[5](C[5]N[5,6]HH)(C[5]C[5,6]C)(CCHH)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]C)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]CH)(CRu){2|C<3>,3|H<1>}	C[5](C[5]N[5,6]HH)(C[5]C[5,6]C)(CCHH)(H){2|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]C)(C[6]C[6]H){1|C<3>,2|C<4>,4|H<1>}	107.9060	0.000	1	107.9060	0.000	1	107.9060	0.000	1	107.9060	0.000	1	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:3:	3:3:3:3:	3:3:3:	C[5,6]-3:C[5]-4:C-3:	C[5]-3:C[5]-3:C-3:C-3:	N[5,6]-3:N[6]-3:C[5]-3:	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]CC)(COO)	C[5](C[5]C[5,6]C)(C[5]N[5,6]C)(CCC)(COO)	C[5,6](N[5,6]C[5]C[6])(N[6]C[6a]C[6])(C[5]C[5]C)	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]CC)(COO){4|C<3>}	C[5](C[5]C[5,6]C)(C[5]N[5,6]C)(CCC)(COO){1|C<3>,1|N<3>}	C[5,6](N[5,6]C[5]C[6])(N[6]C[6a]C[6])(C[5]C[5]C){1|C<4>,2|O<1>,5|C<3>}	110.0630	0.000	1	110.0630	0.000	1	110.0630	0.000	1	110.0630	0.000	1	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:3:	3:3:4:1:	3:3:3:	C[5,6]-3:C[5]-4:C-3:	C[5]-3:C[5]-3:C-4:H-1:	N[5,6]-3:C[5]-3:N[6]-3:	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]CH)(CC[6a]O)	C[5](C[5]C[5,6]C)(C[5]N[5,6]O)(CCHH)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]C)(N[6]C[6]H)	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]CH)(CC[6a]O){1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5,6]C)(C[5]N[5,6]O)(CCHH)(H){1|C<4>,1|N<3>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]C)(N[6]C[6]H){1|O<1>,2|C<4>,5|H<1>}	107.2300	0.000	1	107.2300	0.000	1	107.2300	0.000	1	107.2300	0.000	1	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:3:	3:4:4:1:	4:3:3:	C[5,6]-3:C[5]-4:C[6a]-3:	C[5]-3:C[5]-4:Si-4:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]SiH)(C[6a]C[6a]2)	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(SiC3)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(C[6]C[6]Si)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]SiH)(C[6a]C[6a]2){1|Si<4>,1|C<4>,2|F<1>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(SiC3)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(C[6]C[6]Si){1|Si<4>,1|B<3>,3|C<3>,5|H<1>}	113.0205	0.592	2	113.0205	0.350	2	113.0205	0.350	2	113.0205	0.350	2	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:3:	4:3:1:1:	3:3:3:	C[5,6]-3:C[5]-4:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-3:	C[5](C[5,6]C[6,6a]N[5,6])(C[5]C[5]HH)(COO)	C[5](C[5]N[5,6]CH)(C[5]C[5,6]C)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]C)	C[5](C[5,6]C[6,6a]N[5,6])(C[5]C[5]HH)(COO){1|H<1>,4|C<3>}	C[5](C[5]N[5,6]CH)(C[5]C[5,6]C)(H)2{2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]C){4|C<3>,5|H<1>}	108.4270	0.000	1	108.4270	0.000	1	108.4270	0.000	1	109.0250	0.715	2	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:3:	4:3:1:1:	3:3:3:	C[5,6]-3:C[5]-4:C-3:	C[5]-4:C[5]-3:H-1:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(COO)	C[5](C[5]N[5,6]CH)(C[5]C[5,6]C)(H)2	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]C)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(COO){2|H<1>,3|C<3>}	C[5](C[5]N[5,6]CH)(C[5]C[5,6]C)(H)2{2|C<3>}	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]C)(C[6]C[6]H){3|C<3>,4|H<1>}	109.6230	0.000	1	109.6230	0.000	1	109.6230	0.000	1	109.0250	0.715	2	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:3:	4:3:1:1:	4:3:3:	C[5,6]-3:C[5]-4:C-3:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,3x6]-4:C[5]-3:C[6]-3:	C[5](C[5,6]C[5,3x6]C[6])(C[5]C[5,6,6]HH)(CCC)	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]C)(H)2	C[5,6](C[5,3x6]C[5,6,6]C[4x6]O)(C[5]C[5]C)(C[6]C[6]C)	C[5](C[5,6]C[5,3x6]C[6])(C[5]C[5,6,6]HH)(CCC){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]C)(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6](C[5,3x6]C[5,6,6]C[4x6]O)(C[5]C[5]C)(C[6]C[6]C){1|C<3>,3|C<4>,5|H<1>}	110.9325	0.322	2	110.8540	0.070	3	110.8540	0.070	3	109.5538	3.227	5	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:3:	4:3:1:1:	4:3:3:	C[5,6]-3:C[5]-4:C-3:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,3x6]-4:C[5]-3:C[6]-3:	C[5](C[5,6]C[5,3x6]C[6])(C[5]C[5,6,6]HH)(CCC)	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]C)(H)2	C[5,6](C[5,3x6]C[5,6,6]C[4x6]O)(C[5]C[5]C)(C[6]C[6]C)	C[5](C[5,6]C[5,3x6]C[6])(C[5]C[5,6,6]HH)(CCC){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]C)(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6](C[5,3x6]C[5,6,6]C[4x6]O)(C[5]C[5]C)(C[6]C[6]C){2|C<3>,2|C<4>,4|H<1>}	110.6970	0.000	1	110.8540	0.070	3	110.8540	0.070	3	109.5538	3.227	5	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:3:	4:3:1:1:	4:3:3:	C[5,6]-3:C[5]-4:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHH)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]C)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHH){2|H<1>,4|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2{1|C<3>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]C){1|N<3>,8|H<1>}	107.3910	0.000	1	107.3910	0.000	1	107.6035	0.090	2	109.5538	3.227	5	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:3:	4:3:1:1:	4:3:3:	C[5,6]-3:C[5]-4:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHH)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]2)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHH){3|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]2){1|N<3>,2|C<4>,9|H<1>}	107.8160	0.000	1	107.8160	0.000	1	107.6035	0.090	2	109.5538	3.227	5	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:3:	4:3:2:1:	4:3:3:	C[5,6]-3:C[5]-4:C-3:	C[5,6,6]-4:C[5]-3:O-2:H-1:	C[5,3x6]-4:C[5]-3:C[6]-3:	C[5](C[5,6]C[5,3x6]C[6])(C[5]C[5,6,6]HO)(CCC)	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]C)(OH)(H)	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[5]C[5]C)(C[6]C[6]C)	C[5](C[5,6]C[5,3x6]C[6])(C[5]C[5,6,6]HO)(CCC){1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]C)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[5]C[5]C)(C[6]C[6]C){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	110.5320	0.000	1	110.5320	0.000	1	110.5320	0.000	1	110.5320	0.000	1	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:3:	4:3:3:1:	3:3:3:	C[5,6]-3:C[5]-4:N-3:	C[5]-4:C[6a]-3:C[5]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]C[5]H)(NOO)	C[5](C[5]N[5,6]C[6a]H)(C[6a]C[6a]N[6a])(C[5]C[5,6]N)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]N)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]C[5]H)(NOO){1|N<2>,2|H<1>,4|C<3>}	C[5](C[5]N[5,6]C[6a]H)(C[6a]C[6a]N[6a])(C[5]C[5,6]N)(H){1|H<1>,1|N<2>,5|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]N)(C[6]C[6]H){3|C<3>,4|H<1>}	111.3050	0.000	1	111.3050	0.000	1	111.3050	0.000	1	111.3050	0.000	1	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:3:	4:3:3:1:	3:4:3:	C[5,6]-3:C[5]-4:C-3:	C[5]-4:C[5]-3:C-3:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)(CCH)	C[5](C[5]C[5,6]CC)(C[5]C[5,6]C)(CCH)(H)	C[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6]HH)(C[5]C[5]C)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)(CCH){1|C<3>,1|C<4>,2|C<2>,2|H<1>}	C[5](C[5]C[5,6]CC)(C[5]C[5,6]C)(CCH)(H){1|C<3>,1|C<4>}	C[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6]HH)(C[5]C[5]C){2|C<2>,3|C<3>,3|H<1>}	108.8735	0.111	2	108.8735	0.012	2	108.8735	0.012	2	108.8735	0.012	2	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:3:	4:3:3:1:	4:4:3:	C[5,6]-3:C[5]-4:C-3:	C[5]-4:C[5]-3:C-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)(CHO)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(CCC)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]C)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)(CHO){3|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(CCC)(H){3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]C){1|C<3>,2|C<4>,6|H<1>}	112.0270	0.000	1	112.0270	0.000	1	112.0270	0.000	1	112.0270	0.000	1	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:3:	4:3:4:4:	3:3:3:	C[5,6]-3:C[5]-4:N-3:	C[5]-4:C[5]-3:C-4:C-4:	C[5,6]-3:N[6]-3:C[5]-3:	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]CC)(NC[6a]Co)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]N)(CH3)2	C[5,6](C[5,6]C[5]C[6])(N[6]C[6]Co)(C[5]C[5]N)	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]CC)(NC[6a]Co){2|C<3>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]N)(CH3)2{1|C<3>,1|N<3>}	C[5,6](C[5,6]C[5]C[6])(N[6]C[6]Co)(C[5]C[5]N){2|C<3>,2|C<4>,3|H<1>}	107.8370	0.000	1	107.8370	0.000	1	107.2407	0.343	3	107.2407	0.343	3	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:3:	4:3:4:4:	3:3:3:	C[5,6]-3:C[5]-4:N-3:	C[5]-4:C[5]-3:C-4:C-4:	C[5,6]-3:N[6]-3:C[5]-3:	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]CC)(NC[6a]Ni)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]N)(CH3)2	C[5,6](C[5,6]C[5]C[6])(N[6]C[6]Ni)(C[5]C[5]N)	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]CC)(NC[6a]Ni){2|C<3>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]N)(CH3)2{1|C<3>,1|N<3>}	C[5,6](C[5,6]C[5]C[6])(N[6]C[6]Ni)(C[5]C[5]N){1|C<3>,2|C<4>,4|H<1>}	106.9425	0.390	2	106.9425	0.152	2	107.2407	0.343	3	107.2407	0.343	3	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:4:	3:3:4:4:	3:4:3:	C[5,6]-3:C[5]-4:C-4:	C[5]-3:C[5]-3:C-4:C-4:	C[5,6]-3:C[6]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(CHHN)	C[5](C[5]C[5,6]C)(C[5]C[5,6]H)(CH3)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]C)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(CHHN){2|C<4>,3|H<1>}	C[5](C[5]C[5,6]C)(C[5]C[5,6]H)(CH3)2{2|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]C){3|C<4>,5|H<1>}	110.1610	0.000	1	110.1610	0.000	1	110.1610	0.000	1	110.1610	0.000	1	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:4:	4:3:1:1:	3:3:3:	C[5,6]-3:C[5]-4:S-4:	C[5]-4:C[5]-3:H-1:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]N[5,6]CH)(C[5]C[5,6]S)(H)2	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]S)(C[6]N[6]H)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(SC[6a]OO){1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]N[5,6]CH)(C[5]C[5,6]S)(H)2{2|C<3>}	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]S)(C[6]N[6]H){3|C<3>,3|H<1>}	110.1970	0.000	1	110.1970	0.000	1	110.1970	0.000	1	110.1970	0.000	1	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:4:	4:3:1:1:	4:3:3:	C[5,6]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6,6]-4:C[6]-3:C[5]-3:	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5]HH)(CHHO)	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6]C)(H)2	C[5,6](C[5,6,6]O[6,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]C)	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5]HH)(CHHO){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6]C)(H)2{1|C<3>,1|C<4>,1|O<2>}	C[5,6](C[5,6,6]O[6,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]C){1|C<3>,4|C<4>,5|H<1>}	111.0200	0.000	1	111.0200	0.000	1	111.0200	0.000	1	110.4480	0.654	2	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:4:	4:3:1:1:	4:3:3:	C[5,6]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)	C[5](C[5]C[5,6]HO)(C[5]C[5,6]C)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]C)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5,6]HO)(C[5]C[5,6]C)(H)2{1|C<3>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]C){1|O<2>,3|C<4>,5|H<1>}	109.8760	0.000	1	109.8760	0.000	1	109.8760	0.000	1	110.4480	0.654	2	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:4:	4:3:1:1:	4:4:3:	C[5,6]-3:C[5]-4:C-4:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,3x6]-4:C[5,6]-4:C[5]-3:	C[5](C[5,6]C[5,3x6]C[5,6])(C[5]C[5,6,6]HH)(CCCO)	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]C)(H)2	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[5,6]C[5]2C[6])(C[5]C[5]C)	C[5](C[5,6]C[5,3x6]C[5,6])(C[5]C[5,6,6]HH)(CCCO){1|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]C)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[5,6]C[5]2C[6])(C[5]C[5]C){1|C<3>,1|O<1>,1|O<2>,4|C<4>,7|H<1>}	110.9735	0.035	2	110.9735	0.001	2	110.9735	0.001	2	110.4683	0.203	7	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:4:	4:3:1:1:	4:4:3:	C[5,6]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]C)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH){3|H<1>,4|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2{3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]C){3|C<4>,6|H<1>}	110.1930	0.000	1	110.1930	0.000	1	110.3208	0.148	4	110.4683	0.203	7	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:4:	4:3:1:1:	4:4:3:	C[5,6]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH){3|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2{3|C<4>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C){1|O<2>,3|C<4>,5|H<1>}	110.6940	0.000	1	110.2660	0.366	2	110.3208	0.148	4	110.4683	0.203	7	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:4:	4:3:1:1:	4:4:3:	C[5,6]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH){3|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2{3|C<4>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C){2|C<4>,7|H<1>}	109.8380	0.000	1	110.2660	0.366	2	110.3208	0.148	4	110.4683	0.203	7	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:4:	4:3:1:1:	4:4:3:	C[5,6]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]C)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3){1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2{1|H<1>,2|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]C){1|O<2>,4|C<4>,4|H<1>}	110.5580	0.000	1	110.5580	0.000	1	110.3208	0.148	4	110.4683	0.203	7	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:4:	4:3:1:1:	4:4:3:	C[5,6]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(CCCH)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]C)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(CCCH){3|H<1>,4|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2{3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]C){4|C<4>,8|H<1>}	110.0480	0.000	1	110.0480	0.000	1	110.0480	0.000	1	110.4683	0.203	7	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	3:4:4:	4:3:3:1:	3:3:3:	C[5,6]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-3:	C[5](C[5,6]C[6,6a]N[5,6])(C[5]C[6a]C[5]H)(CC[6a]CH)	C[5](C[5]N[5,6]HH)(C[5]C[5,6]C)(C[6a]C[6a]2)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]C[5]C)	C[5](C[5,6]C[6,6a]N[5,6])(C[5]C[6a]C[5]H)(CC[6a]CH){1|S<4>,2|H<1>,4|C<3>}	C[5](C[5]N[5,6]HH)(C[5]C[5,6]C)(C[6a]C[6a]2)(H){1|S<4>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]C[5]C){1|O<2>,2|O<1>,3|C<3>,4|H<1>}	110.0810	0.000	1	110.0810	0.000	1	110.0810	0.000	1	110.0810	0.000	1	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5,6]	4:3:3:	3:3:2:2:	4:3:3:	C[5]-4:C[5,6]-3:C-3:	C[5]-3:C[6a]-3:O[5]-2:O-2:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5](C[5]C[6a]O[5]O)(C[5,6]C[5,6]2)(CCH)	C[5](C[5]C[5,6]C)(C[6a]C[6a]2)(O[5]C[5,6])(OH)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[6,6a]O[5])(C[5]C[5]C)	C[5](C[5]C[6a]O[5]O)(C[5,6]C[5,6]2)(CCH){6|C<3>}	C[5](C[5]C[5,6]C)(C[6a]C[6a]2)(O[5]C[5,6])(OH){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[6,6a]O[5])(C[5]C[5]C){1|N<3>,1|O<2>,2|O<1>,5|C<3>}	105.5210	0.000	1	105.5210	0.000	1	105.5210	0.000	1	105.5210	0.000	1	109.8922	4.690	133	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:2:1:1:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)	C[5](C[5]C[6a]C[5])(O[5]C[5])(H)2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(H)2{1|O<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O){4|C<3>,4|H<1>}	109.0140	0.000	1	109.0140	0.000	1	109.0140	0.000	1	109.0140	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:2:2:1:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:O[5]-2:N-2:H-1:	C[5]-3:C[6a]-3:S[5]-3:	C[5](C[5]C[6a]S[5])(C[6a]C[6a]2)(C[5]O[5]HN)	C[5](C[5]C[6a]C[5])(O[5]S[5])(NC[6a])(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]O[5]O)	C[5](C[5]C[6a]S[5])(C[6a]C[6a]2)(C[5]O[5]HN){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(O[5]S[5])(NC[6a])(H){1|O<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]O[5]O){1|N<2>,3|H<1>,4|C<3>}	113.9100	0.000	1	113.9100	0.000	1	113.9100	0.000	1	113.9100	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:2:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:O[5]-2:C-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]CH)	C[5](C[5]C[6a]C[5])(O[5]C[5])(CNO)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]CH){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(CNO)(H){1|O<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O){1|O<2>,2|H<1>,5|C<3>}	108.8450	0.000	1	108.8450	0.000	1	108.8450	0.000	1	109.1115	0.142	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:2:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:O[5]-2:N-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HN)	C[5](C[5]C[6a]C[5])(O[5]C[5])(NCS)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HN){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(NCS)(H){1|O<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O){1|N<3>,3|H<1>,4|C<3>}	109.3780	0.000	1	109.3780	0.000	1	109.3780	0.000	1	109.1115	0.142	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:2:4:4:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]CC)	C[5](C[5]C[6a]C[5])(O[5]C[5])(CH3)2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]CC){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(CH3)2{1|O<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O){2|C<4>,2|H<1>,4|C<3>}	109.9830	0.000	1	109.9830	0.000	1	109.9830	0.000	1	109.9830	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:2:4:4:	4:3:3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:O[5]-2:C-4:C-4:	P[5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]P[5])(C[6a]C[6a]2)(C[5]O[5]CC)	C[5](C[5]C[6a]C[5])(O[5]P[5])(CCHH)2	C[5](P[5]C[6a]O[5]S)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]P[5])(C[6a]C[6a]2)(C[5]O[5]CC){1|S<1>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(O[5]P[5])(CCHH)2{1|S<1>,4|C<3>}	C[5](P[5]C[6a]O[5]S)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	116.1330	0.363	2	116.1330	0.132	2	116.1330	0.132	2	116.1330	0.132	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](C[5]C[6a]C[5])2(H)2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5])2(H)2{6|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){4|H<1>,5|C<3>}	108.0330	0.000	1	108.0330	0.000	1	108.2414	0.122	10	108.2414	0.122	10	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](C[5]C[6a]C[5])2(H)2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH){3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])2(H)2{1|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H){4|H<1>,5|C<3>}	108.2646	0.363	9	108.2646	0.131	9	108.2414	0.122	10	108.2414	0.122	10	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:3:4:1:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-3:P-4:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HP)	C[5](C[5]C[6a]C[5])2(PC3)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HP){3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])2(PC3)(H){1|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H){1|P<4>,3|H<1>,5|C<3>}	108.3710	0.000	1	108.3710	0.000	1	108.3710	0.000	1	108.3710	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:3:4:1:	3:3:4:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CCHH)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CCHH)(H){2|C<4>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	112.1770	0.000	1	112.1770	0.000	1	112.1770	0.000	1	112.1770	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:3:4:4:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	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	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	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>}	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>}	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<2>,2|C<4>,3|H<1>,5|C<3>}	111.2617	0.393	3	111.2617	0.154	3	111.2617	0.154	3	110.7167	1.291	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:3:4:4:	3:3:3:	C[6a]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-3:C-4:C-4:	C[5a]-3:C[5]-3:N[5]-3:	C[5](C[6a]C[6a]N[6a])(C[5]C[5a]N[5])(C[5]C[5]CC)	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(CH3)2	C[5](C[5a]C[5a,6a]N[5a])(C[5]C[6a]C[5])(N[5]C[6a]C[5])	C[5](C[6a]C[6a]N[6a])(C[5]C[5a]N[5])(C[5]C[5]CC){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(CH3)2{1|N<2>,3|C<3>}	C[5](C[5a]C[5a,6a]N[5a])(C[5]C[6a]C[5])(N[5]C[6a]C[5]){1|N<3>,1|O<1>,2|C<4>,2|N<2>,4|C<3>}	109.0820	0.000	1	109.0820	0.000	1	109.0820	0.000	1	110.7167	1.291	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:3:4:4:	3:3:4:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CCHH)2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CCHH)2{1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	113.0410	0.000	1	113.0410	0.000	1	113.0410	0.000	1	113.0410	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-4:F-1:F-1:	C[5a]-3:C[5]-3:C[5]-3:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|O<1>,1|O<2>,2|F<1>,5|C<3>}	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{1|O<1>,3|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]O){1|O<2>,4|F<1>,5|C<3>}	110.3010	0.000	1	110.3010	0.000	1	110.3010	0.000	1	110.3010	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5,5a]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5]-3:C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]C[5])(C[5]C[5]HH)	C[5](C[5]C[5,5a]C[5])(C[5]C[5,5a]HH)(H)2	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]C[5])(C[5]C[5]HH)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]C[5])(C[5]C[5]HH){1|C<4>,1|S<2>,3|C<3>,5|H<1>}	C[5](C[5]C[5,5a]C[5])(C[5]C[5,5a]HH)(H)2{1|C<4>,1|S<2>,2|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]C[5])(C[5]C[5]HH){1|C<4>,1|S<2>,3|C<3>,5|H<1>}	126.1190	0.000	1	126.1190	0.000	1	126.1190	0.000	1	110.7535	2.064	188	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5a]-3:C[5]-4:	C[5]-3:C[5]-4:F-1:F-1:	C[5]-3:C[5a]-3:C[5]-4:	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<2>,1|H<1>,1|S<2>,3|C<3>,4|F<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<2>,1|H<1>,1|S<2>,3|C<3>,4|F<1>}	110.6557	0.552	3	110.4949	1.191	93	110.4949	1.191	93	110.7535	2.064	188	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5a]-3:C[5]-4:	C[5]-3:C[5]-4:F-1:F-1:	C[5]-3:C[5a]-3:C[5]-4:	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|N<3>,3|C<3>,4|F<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|S<2>,3|C<3>,4|F<1>}	109.7900	0.000	1	110.4949	1.191	93	110.4949	1.191	93	110.7535	2.064	188	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5a]-3:C[5]-4:	C[5]-3:C[5]-4:F-1:F-1:	C[5]-3:C[5a]-3:C[5]-4:	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|O<2>,3|C<3>,4|F<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|O<2>,3|C<3>,4|F<1>}	111.2310	0.000	1	110.4949	1.191	93	110.4949	1.191	93	110.7535	2.064	188	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5a]-3:C[5]-4:	C[5]-3:C[5]-4:F-1:F-1:	C[5]-3:C[5a]-3:C[5]-4:	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|S<2>,3|C<3>,4|F<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|N<3>,3|C<3>,4|F<1>}	110.4960	0.000	1	110.4949	1.191	93	110.4949	1.191	93	110.7535	2.064	188	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5a]-3:C[5]-4:	C[5]-3:C[5]-4:F-1:F-1:	C[5]-3:C[5a]-3:C[5]-4:	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|S<2>,3|C<3>,4|F<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|S<2>,3|C<3>,4|F<1>}	110.4833	1.165	79	110.4949	1.191	93	110.4949	1.191	93	110.7535	2.064	188	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5a]-3:C[5]-4:	C[5]-3:C[5]-4:F-1:F-1:	C[5]-3:C[5a]-3:C[5]-4:	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|S<2>,3|C<3>,4|F<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|H<1>,1|S<2>,4|C<3>,4|F<1>}	109.8510	0.000	1	110.4949	1.191	93	110.4949	1.191	93	110.7535	2.064	188	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5a]-3:C[5]-4:	C[5]-3:C[5]-4:F-1:F-1:	C[5]-3:C[5a]-3:C[5]-4:	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|H<1>,1|O<2>,1|S<2>,3|C<3>,4|F<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|H<1>,1|O<2>,1|S<2>,3|C<3>,4|F<1>}	110.6372	0.495	4	110.4949	1.191	93	110.4949	1.191	93	110.7535	2.064	188	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5a]-3:C[5]-4:	C[5]-3:C[5]-4:F-1:F-1:	C[5]-3:C[5a]-3:C[5]-4:	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|H<1>,1|S<2>,4|C<3>,4|F<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|S<2>,3|C<3>,4|F<1>}	111.2400	0.000	1	110.4949	1.191	93	110.4949	1.191	93	110.7535	2.064	188	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5a]-3:C[5]-4:	C[5]-3:C[5]-4:F-1:F-1:	C[5]-3:C[5a]-3:C[5]-4:	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|Si<4>,1|H<1>,1|S<2>,3|C<3>,4|F<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|Si<4>,1|H<1>,1|S<2>,3|C<3>,4|F<1>}	110.3585	0.248	2	110.4949	1.191	93	110.4949	1.191	93	110.7535	2.064	188	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5a]-3:C[5]-4:	C[5]-3:C[5]-4:F-1:F-1:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]FF)	C[5](C[5]C[6a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|N<3>,3|C<3>,4|F<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|N<2>,3|C<3>,4|F<1>}	111.5530	0.000	1	111.1170	0.380	2	111.1170	0.380	2	110.7535	2.064	188	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5a]-3:C[5]-4:	C[5]-3:C[5]-4:F-1:F-1:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]FF)	C[5](C[5]C[6a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|S<2>,3|C<3>,4|F<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]FF){1|H<1>,1|O<2>,4|C<3>,4|F<1>}	110.6810	0.000	1	111.1170	0.380	2	111.1170	0.380	2	110.7535	2.064	188	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5a]-3:C[5]-4:	C[5]-3:C[5]-4:F-1:F-1:	C[5a]-3:C[5]-3:C[5]-4:	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|S<2>,3|C<3>,4|F<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,1|N<3>,4|C<3>,4|F<1>}	111.4640	0.362	2	111.0426	0.183	5	110.7773	0.557	7	110.7535	2.064	188	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5a]-3:C[5]-4:	C[5]-3:C[5]-4:F-1:F-1:	C[5a]-3:C[5]-3:C[5]-4:	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|S<2>,3|C<3>,4|F<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,1|S<2>,4|C<3>,4|F<1>}	110.8030	0.008	2	111.0426	0.183	5	110.7773	0.557	7	110.7535	2.064	188	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5a]-3:C[5]-4:	C[5]-3:C[5]-4:F-1:F-1:	C[5a]-3:C[5]-3:C[5]-4:	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|S<2>,2|C<4>,3|C<3>,4|F<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,1|S<2>,4|C<3>,4|F<1>}	110.6790	0.000	1	111.0426	0.183	5	110.7773	0.557	7	110.7535	2.064	188	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5a]-3:C[5]-4:	C[5]-3:C[5]-4:F-1:F-1:	C[5a]-3:C[5]-3:C[5]-4:	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|N<3>,1|S<2>,2|C<3>,4|F<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,1|N<2>,3|C<3>,4|F<1>}	109.2840	0.000	1	110.1140	1.378	2	110.7773	0.557	7	110.7535	2.064	188	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5a]-3:C[5]-4:	C[5]-3:C[5]-4:F-1:F-1:	C[5a]-3:C[5]-3:C[5]-4:	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,2|C<3>,2|S<2>,4|F<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,4|C<3>,4|F<1>}	110.9440	0.000	1	110.1140	1.378	2	110.7773	0.557	7	110.7535	2.064	188	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5a]-3:C[5]-4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5a]-3:C[5]-4:	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH)	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH){1|C<4>,1|S<2>,3|C<3>,5|H<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH){1|C<4>,1|S<2>,3|C<3>,5|H<1>}	111.1886	0.471	19	111.1886	0.222	19	111.1886	0.222	19	110.7535	2.064	188	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5a]-3:C[5]-4:	C[5]-3:C[5]-4:H-1:H-1:	C[5a]-3:C[5]-3:C[5]-4:	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH)	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]HH)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH){1|C<4>,1|S<2>,3|C<3>,5|H<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]HH){1|C<4>,1|S<2>,4|C<3>,4|H<1>}	110.7520	0.363	3	110.7520	0.132	3	110.7520	0.132	3	110.7535	2.064	188	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:F-1:F-1:	C[5]-3:C[5a]-3:C[5]-4:	C[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]FF)	C[5](C[5]C[6a]C[5])(C[5]C[5]FF)(F)2	C[5](C[5]C[6a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|N<2>,3|C<3>,4|F<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|N<3>,3|C<3>,4|F<1>}	111.4260	0.000	1	111.1765	0.125	2	111.1765	0.125	2	110.7535	2.064	188	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:F-1:F-1:	C[5]-3:C[5a]-3:C[5]-4:	C[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]FF)	C[5](C[5]C[6a]C[5])(C[5]C[5]FF)(F)2	C[5](C[5]C[6a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]FF){1|H<1>,1|O<2>,4|C<3>,4|F<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|S<2>,3|C<3>,4|F<1>}	110.9270	0.000	1	111.1765	0.125	2	111.1765	0.125	2	110.7535	2.064	188	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:F-1:F-1:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]FF)	C[5](C[5]C[6a]C[5])(C[5]C[5]FF)(F)2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]FF)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]FF){4|C<3>,6|F<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]FF){4|C<3>,6|F<1>}	110.1705	0.474	2	110.1705	0.225	2	110.1705	0.225	2	110.7535	2.064	188	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:F-1:F-1:	C[5a]-3:C[5]-3:C[5]-4:	C[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]FF)	C[5](C[5]C[6a]C[5])(C[5]C[5]FF)(F)2	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5])(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]FF){1|H<1>,1|O<2>,4|C<3>,4|F<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5])(C[5]C[5]FF){1|C<4>,1|N<3>,4|C<3>,4|F<1>}	110.6900	0.000	1	110.6900	0.000	1	110.6900	0.000	1	110.7535	2.064	188	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|C<4>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC){4|C<3>,6|H<1>}	110.5265	0.243	2	110.5265	0.059	2	110.4443	0.050	3	110.7535	2.064	188	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH){4|C<3>,6|H<1>}	110.2800	0.000	1	110.2800	0.000	1	110.4443	0.050	3	110.7535	2.064	188	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-4:F-1:F-1:	C[5]-3:C[5a]-3:C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,1|N<3>,4|C<3>,4|F<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|S<2>,3|C<3>,4|F<1>}	109.3260	0.602	2	110.1336	0.666	5	110.2633	0.494	7	110.7535	2.064	188	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-4:F-1:F-1:	C[5]-3:C[5a]-3:C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,1|S<2>,4|C<3>,4|F<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|S<2>,3|C<3>,4|F<1>}	110.7620	0.283	2	110.1336	0.666	5	110.2633	0.494	7	110.7535	2.064	188	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-4:F-1:F-1:	C[5]-3:C[5a]-3:C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,1|S<2>,4|C<3>,4|F<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|S<2>,2|C<4>,3|C<3>,4|F<1>}	110.4920	0.000	1	110.1336	0.666	5	110.2633	0.494	7	110.7535	2.064	188	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-4:F-1:F-1:	C[5]-3:C[5a]-3:C[5]-4:	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,1|N<2>,3|C<3>,4|F<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{1|S<2>,2|C<3>,2|F<1>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|N<3>,1|S<2>,2|C<3>,4|F<1>}	110.6390	0.000	1	110.5875	0.005	2	110.2633	0.494	7	110.7535	2.064	188	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-4:F-1:F-1:	C[5]-3:C[5a]-3:C[5]-4:	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,4|C<3>,4|F<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{1|S<2>,2|C<3>,2|F<1>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,2|C<3>,2|S<2>,4|F<1>}	110.5360	0.000	1	110.5875	0.005	2	110.2633	0.494	7	110.7535	2.064	188	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-4:F-1:F-1:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5])(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]FF)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5])(C[5]C[5]FF){1|C<4>,1|N<3>,4|C<3>,4|F<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]FF){1|H<1>,1|O<2>,4|C<3>,4|F<1>}	110.8770	0.000	1	110.8770	0.000	1	110.8770	0.000	1	110.7535	2.064	188	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-4:F-1:F-1:	C[5a]-3:C[5]-3:C[5]-4:	C[5](C[5a]C[5a,5a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5](C[5a]C[5a,5a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5](C[5a]C[5a,5a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,2|S<2>,3|C<3>,4|F<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5](C[5a]C[5a,5a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,2|S<2>,3|C<3>,4|F<1>}	110.0590	0.150	2	110.0590	0.022	2	110.7842	0.307	44	110.7535	2.064	188	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-4:F-1:F-1:	C[5a]-3:C[5]-3:C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,1|N<3>,4|C<3>,4|F<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,1|N<3>,4|C<3>,4|F<1>}	110.6255	0.284	2	111.0287	0.254	24	110.7842	0.307	44	110.7535	2.064	188	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-4:F-1:F-1:	C[5a]-3:C[5]-3:C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,1|S<2>,4|C<3>,4|F<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,1|S<2>,4|C<3>,4|F<1>}	111.0653	0.507	22	111.0287	0.254	24	110.7842	0.307	44	110.7535	2.064	188	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-4:F-1:F-1:	C[5a]-3:C[5]-3:C[5]-4:	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,1|N<2>,1|S<2>,2|C<3>,4|F<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{1|N<2>,2|C<3>,2|F<1>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,1|N<2>,1|S<2>,2|C<3>,4|F<1>}	110.6271	0.361	8	110.5798	0.112	10	110.7842	0.307	44	110.7535	2.064	188	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-4:F-1:F-1:	C[5a]-3:C[5]-3:C[5]-4:	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|N<2>,1|O<2>,1|S<2>,2|C<3>,4|F<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{1|N<2>,2|C<3>,2|F<1>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|N<2>,1|O<2>,1|S<2>,2|C<3>,4|F<1>}	110.3905	0.057	2	110.5798	0.112	10	110.7842	0.307	44	110.7535	2.064	188	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-4:F-1:F-1:	C[5a]-3:C[5]-3:C[5]-4:	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|O<2>,2|C<3>,2|S<2>,4|F<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{1|N<2>,2|C<3>,2|F<1>}	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,2|C<3>,2|N<2>,4|F<1>}	109.3450	0.000	1	109.3450	0.000	1	110.7842	0.307	44	110.7535	2.064	188	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-4:F-1:F-1:	C[5a]-3:C[5]-3:C[5]-4:	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,2|C<3>,2|N<2>,4|F<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{1|S<2>,2|C<3>,2|F<1>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|O<2>,2|C<3>,2|S<2>,4|F<1>}	111.5890	0.000	1	111.5890	0.000	1	110.7842	0.307	44	110.7535	2.064	188	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-4:F-1:F-1:	C[5a]-3:C[5]-3:C[5]-4:	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,1|S<2>,3|C<3>,4|F<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{1|S<2>,2|C<3>,2|F<1>}	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,1|S<2>,3|C<3>,4|F<1>}	110.4942	0.209	6	110.4942	0.044	6	110.7842	0.307	44	110.7535	2.064	188	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5a]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5a]-3:C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]HH)	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]HH){1|C<4>,1|S<2>,4|C<3>,4|H<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH){1|C<4>,1|S<2>,3|C<3>,5|H<1>}	111.6890	0.142	3	111.6890	0.020	3	111.6890	0.020	3	110.7535	2.064	188	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:4:2:1:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]CH)	C[5](C[5]C[6a]C[5])(CC[6a]2H)(O[5]C[5])(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]CH){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(CC[6a]2H)(O[5]C[5])(H){1|O<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O){1|C<4>,3|H<1>,4|C<3>}	108.9910	0.000	1	108.9910	0.000	1	108.9910	0.000	1	108.9910	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:4:2:1:	3:4:3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:O-2:H-1:	C[5]-3:Si[5]-4:C[6a]-3:	C[5](C[5]C[6a]Si[5])(C[6a]C[6a]2)(C[5]C[5]HO)	C[5](C[5]C[6a]C[5])(C[5]Si[5]HH)(OC)(H)	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]2)	C[5](C[5]C[6a]Si[5])(C[6a]C[6a]2)(C[5]C[5]HO){2|C<4>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[5]Si[5]HH)(OC)(H){2|C<4>,3|C<3>}	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]2){1|O<2>,4|C<3>,5|H<1>}	117.2030	0.000	1	117.2030	0.000	1	117.2030	0.000	1	117.2030	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:4:3:2:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:C-3:C-2:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CNO)(CN)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC){3|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CNO)(CN){4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|C<2>,3|H<1>,6|C<3>}	110.0865	0.340	2	110.0865	0.116	2	110.0865	0.116	2	110.0865	0.116	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH){4|C<3>,6|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	112.2620	0.000	1	112.2620	0.000	1	112.2620	0.000	1	112.2620	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:4:4:1:	4:3:1:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-3:I-1:	C[5](C[5]C[5,5]I)(C[6a]C[6a]2)(C[5]C[5]CH)	C[5](C[5]C[6a]C[5])(C[5]C[5,5]HH)(CHHI)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(I)	C[5](C[5]C[5,5]I)(C[6a]C[6a]2)(C[5]C[5]CH){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5,5]HH)(CHHI)(H){1|I<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(I){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	110.0290	0.000	1	110.0290	0.000	1	110.0290	0.000	1	110.0290	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:4:4:2:	3:3:3:	C[5]-3:C[5a]-3:C[5]-4:	C[5]-3:C[5]-4:C-4:O-2:	C[5]-3:C[5a]-3:C[5]-3:	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]CO)	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(CH3)(OC)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]O)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]CO){1|C<4>,1|O<1>,1|S<2>,3|C<3>,3|H<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(CH3)(OC){1|O<1>,3|C<3>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]O){1|O<2>,1|S<2>,2|C<4>,3|C<3>,3|H<1>}	112.4410	0.000	1	112.4410	0.000	1	112.4410	0.000	1	112.4410	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:4:4:4:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CH3)2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]Ir)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC){1|Ir<6>,1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CH3)2{1|Ir<6>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]Ir){2|H<1>,3|C<4>,4|C<3>}	112.0060	0.000	1	112.0060	0.000	1	112.0060	0.000	1	112.0060	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:4:4:4:	3:3:4:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC){4|C<3>,6|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)2{2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,4|C<3>,4|H<1>}	111.7810	0.000	1	111.7810	0.000	1	111.8885	0.023	2	111.8885	0.023	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	3:4:4:4:	3:3:4:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC){4|C<3>,6|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,4|C<3>,4|H<1>}	111.9960	0.000	1	111.9960	0.000	1	111.8885	0.023	2	111.8885	0.023	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	4:3:1:1:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])(H)2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|S<4>,3|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])(H)2{1|S<4>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S){5|C<3>,5|H<1>}	111.3060	0.000	1	111.3060	0.000	1	111.3060	0.000	1	111.3060	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	4:3:1:1:	3:3:4:	C[5]-3:C[5a]-3:C[5]-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5a]-3:C[5]-4:	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH)	C[5](C[5]C[6a]C[5]H)(C[5]C[5a]C[5])(H)2	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH){1|C<4>,1|S<2>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5a]C[5])(H)2{2|H<1>,5|C<3>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH){1|C<4>,1|S<2>,4|C<3>,4|H<1>}	111.1123	0.525	4	111.1123	0.276	4	111.1123	0.276	4	111.1123	0.276	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	4:3:1:1:	3:4:3:	C[5]-3:C[5]-3:C[5]-4:	C[5]-4:C[5]-3:F-1:F-1:	C[5a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[5a]C[5])(C[5]C[5]S[5])(C[5]C[5]FF)	C[5](C[5]C[5]FF)(C[5]C[5]2)(F)2	C[5](C[5a]C[5a]N[5a])(C[5]C[5]FF)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5]C[5]S[5])(C[5]C[5]FF){1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|F<1>}	C[5](C[5]C[5]FF)(C[5]C[5]2)(F)2{1|S<2>,2|C<3>,2|F<1>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]FF)(C[5]C[5]2){1|O<2>,2|C<3>,2|S<2>,4|F<1>}	111.5340	0.000	1	111.7585	0.101	2	111.7585	0.101	2	110.7070	1.509	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	4:3:1:1:	3:4:3:	C[5]-3:C[5]-3:C[5]-4:	C[5]-4:C[5]-3:F-1:F-1:	C[5a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[5a]C[5])(C[5]C[5]S[5])(C[5]C[5]FF)	C[5](C[5]C[5]FF)(C[5]C[5]2)(F)2	C[5](C[5a]C[5a]N[5a])(C[5]C[5]FF)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5]C[5]S[5])(C[5]C[5]FF){1|C<4>,1|N<2>,1|S<2>,2|C<3>,4|F<1>}	C[5](C[5]C[5]FF)(C[5]C[5]2)(F)2{1|S<2>,2|C<3>,2|F<1>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]FF)(C[5]C[5]2){1|C<4>,2|C<3>,2|S<2>,4|F<1>}	111.9830	0.000	1	111.7585	0.101	2	111.7585	0.101	2	110.7070	1.509	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	4:3:1:1:	3:4:3:	C[5]-3:C[5]-3:C[5]-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[5a]C[5])(C[5]C[5]N[5])(C[5]C[5]HH)	C[5](C[5]C[5]HH)(C[5]C[5]2)(H)2	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5]C[5]N[5])(C[5]C[5]HH){1|N<3>,3|C<3>,5|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(H)2{1|N<2>,2|C<3>,2|H<1>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]C[5]2){1|N<2>,3|C<3>,6|H<1>}	109.6555	0.053	2	109.6555	0.003	2	109.6555	0.003	2	110.7070	1.509	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:3:4:	4:3:2:1:	3:3:3:	C[5]-3:C[5]-3:C[5]-4:	C[5]-4:C[5]-3:O-2:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[5]C[5,6a]2)(C[5]C[5]HO)	C[5](C[5]N[5]CC)(C[5]C[5]2)(OC)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]2)(N[5]C[5]C)	C[5](C[5]C[6a]N[5])(C[5]C[5,6a]2)(C[5]C[5]HO){3|C<4>,6|C<3>}	C[5](C[5]N[5]CC)(C[5]C[5]2)(OC)(H){1|C<4>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]2)(N[5]C[5]C){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	106.2550	0.000	1	106.2550	0.000	1	106.2550	0.000	1	106.2550	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	2:3:1:1:	4:3:1:	C[5]-3:C[5]-4:H-1:	O[5]-2:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]H)(C[5]O[5]HH)(H)	C[5](O[5]C[5,5])(C[5]C[5]H)(H)2	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(H)	C[5](C[5]C[5,5]H)(C[5]O[5]HH)(H){2|C<3>}	C[5](O[5]C[5,5])(C[5]C[5]H)(H)2{1|H<1>,2|C<3>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	110.7470	0.000	1	110.7470	0.000	1	110.7470	0.000	1	110.3755	0.276	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	2:3:1:1:	4:3:1:	C[5]-3:C[5]-4:H-1:	O[5]-2:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]H)(C[5]O[5]HH)(H)	C[5](O[5]C[5,6])(C[5]C[5]H)(H)2	C[5](C[5,6]C[6]2O[5])(C[5]C[5]H)(H)	C[5](C[5]C[5,6]H)(C[5]O[5]HH)(H){2|C<4>}	C[5](O[5]C[5,6])(C[5]C[5]H)(H)2{1|H<1>,2|C<4>}	C[5](C[5,6]C[6]2O[5])(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	110.0040	0.000	1	110.0040	0.000	1	110.0040	0.000	1	110.3755	0.276	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	2:3:1:1:	4:3:3:	C[5]-3:C[5]-4:H-1:	O[5]-2:C[5]-3:H-1:H-1:	C[4,5]-4:C[6a]-3:C[5]-3:	C[5](C[5]C[4,5]C[6a])(C[5]O[5]HH)(H)	C[5](O[5]C[4,5])(C[5]C[5]H)(H)2	C[5](C[4,5]C[4]2O[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[4,5]C[6a])(C[5]O[5]HH)(H){1|C<4>,3|C<3>}	C[5](O[5]C[4,5])(C[5]C[5]H)(H)2{1|C<4>,2|C<3>}	C[5](C[4,5]C[4]2O[5])(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	111.0550	1.015	2	111.0550	1.031	2	111.0550	1.031	2	111.0550	1.031	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	2:3:1:1:	4:3:4:	C[5]-3:C[5]-4:H-1:	O[5]-2:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5](C[5]C[5,6]C)(C[5]O[5]HH)(H)	C[5](O[5]C[5,6])(C[5]C[5]H)(H)2	C[5](C[5,6]C[6]2O[5])(C[5]C[5]H)(CH3)	C[5](C[5]C[5,6]C)(C[5]O[5]HH)(H){1|C<3>,1|C<4>}	C[5](O[5]C[5,6])(C[5]C[5]H)(H)2{1|C<3>,2|C<4>}	C[5](C[5,6]C[6]2O[5])(C[5]C[5]H)(CH3){1|O<1>,2|C<3>,2|H<1>,2|O<2>}	111.7670	0.000	1	111.7670	0.000	1	111.7670	0.000	1	111.7670	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	2:3:2:1:	4:3:1:	C[5]-3:C[5]-4:H-1:	O[5]-2:C[5]-3:O-2:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]H)(C[5]O[5]HO)(H)	C[5](O[5]C[5,5])(C[5]C[5]H)(OC)(H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]H)(H)	C[5](C[5]C[5,5]H)(C[5]O[5]HO)(H){2|C<3>}	C[5](O[5]C[5,5])(C[5]C[5]H)(OC)(H){1|H<1>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]H)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	111.2840	0.000	1	111.2840	0.000	1	111.2840	0.000	1	111.2840	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	2:3:3:1:	4:3:1:	C[5]-3:C[5]-4:H-1:	O[5]-2:C[5]-3:N-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]H)(C[5]O[5]HN)(H)	C[5](O[5]C[5,6])(C[5]C[5]H)(NC[6a]H)(H)	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]H)(H)	C[5](C[5]C[5,6]H)(C[5]O[5]HN)(H){1|C<3>,1|C<4>}	C[5](O[5]C[5,6])(C[5]C[5]H)(NC[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	109.9900	0.000	1	109.9900	0.000	1	109.9900	0.000	1	109.9900	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	2:3:4:1:	4:3:1:	C[5]-3:C[5]-4:H-1:	O[5]-2:C[5]-3:C-4:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]H)(C[5]O[5]CH)(H)	C[5](O[5]C[5,5])(C[5]C[5]H)(CC[6a]HO)(H)	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]H)(H)	C[5](C[5]C[5,5]H)(C[5]O[5]CH)(H){1|C<4>,1|N<3>}	C[5](O[5]C[5,5])(C[5]C[5]H)(CC[6a]HO)(H){1|C<4>,1|H<1>,1|N<3>}	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]H)(H){2|C<3>,2|C<4>,3|H<1>}	108.7985	0.022	2	108.7985	0.000	2	108.7985	0.000	2	109.1304	0.084	7	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	2:3:4:1:	4:3:1:	C[5]-3:C[5]-4:H-1:	O[5]-2:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]H)(C[5]O[5]CH)(H)	C[5](O[5]C[5,6])(C[5]C[5]H)(CC[6a]HO)(H)	C[5](C[5,6]C[6]N[6]O[5])(C[5]C[5]H)(H)	C[5](C[5]C[5,6]H)(C[5]O[5]CH)(H){1|C<3>,1|N<3>}	C[5](O[5]C[5,6])(C[5]C[5]H)(CC[6a]HO)(H){1|C<3>,1|H<1>,1|N<3>}	C[5](C[5,6]C[6]N[6]O[5])(C[5]C[5]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	109.2632	0.219	5	109.2632	0.048	5	109.2632	0.048	5	109.1304	0.084	7	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	2:3:4:2:	4:3:1:	C[5]-3:C[5]-4:H-1:	O[5]-2:C[5]-3:C-4:O-2:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]H)(C[5]O[5]CO)(H)	C[5](O[5]C[5,5])(C[5]C[5]H)(CHHO)(OH)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]H)(H)	C[5](C[5]C[5,5]H)(C[5]O[5]CO)(H){1|C<4>,1|O<2>}	C[5](O[5]C[5,5])(C[5]C[5]H)(CHHO)(OH){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	110.4220	0.000	1	110.4220	0.000	1	110.4220	0.000	1	110.4220	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	2:3:4:4:	4:3:1:	C[5]-3:C[5]-4:H-1:	O[5]-2:C[5]-3:C-4:C-4:	C[5,5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,5,6]H)(C[5]O[5]CC)(H)	C[5](O[5]C[5,5,6])(C[5]C[5]H)(CH3)2	C[5](C[5,5,6]C[5,6]2O[5])(C[5]C[5]H)(H)	C[5](C[5]C[5,5,6]H)(C[5]O[5]CC)(H){2|C<4>}	C[5](O[5]C[5,5,6])(C[5]C[5]H)(CH3)2{1|H<1>,2|C<4>}	C[5](C[5,5,6]C[5,6]2O[5])(C[5]C[5]H)(H){1|O<2>,3|C<3>,4|C<4>}	111.9120	0.000	1	111.9120	0.000	1	111.9120	0.000	1	111.6485	0.139	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	2:3:4:4:	4:3:1:	C[5]-3:C[5]-4:I-1:	O[5]-2:C[5]-3:C-4:C-4:	C[5,6]-4:C[5]-3:I-1:	C[5](C[5]C[5,6]I)(C[5]O[5]CC)(I)	C[5](O[5]C[5,6])(C[5]C[5]I)(CH3)2	C[5](C[5,6]C[6,6a]O[5]O[6])(C[5]C[5]I)(I)	C[5](C[5]C[5,6]I)(C[5]O[5]CC)(I){1|C<3>,1|O<2>}	C[5](O[5]C[5,6])(C[5]C[5]I)(CH3)2{1|C<3>,1|I<1>,1|O<2>}	C[5](C[5,6]C[6,6a]O[5]O[6])(C[5]C[5]I)(I){2|C<4>,3|C<3>}	111.3850	0.000	1	111.3850	0.000	1	111.3850	0.000	1	111.6485	0.139	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	3:2:1:1:	3:3:3:	C[5]-3:C[5]-4:O-1:	C[5]-3:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(O)	C[5](C[5]C[5]O)(O[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O)	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(O){1|O<2>,2|C<3>}	C[5](C[5]C[5]O)(O[5]C[5])(H)2{1|C<3>,1|O<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O){2|C<3>,4|H<1>}	106.5660	0.000	1	106.5660	0.000	1	106.5660	0.000	1	106.5660	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	3:2:1:1:	4:3:3:	C[5]-3:C[5]-4:H-1:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(H)	C[5](C[5]C[5]H)(O[5]C[5])(H)2	C[5](C[5]C[5]O[5]H)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]O[5]H)(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	111.1240	0.000	1	111.1240	0.000	1	111.4995	0.282	2	111.4995	0.282	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	3:2:1:1:	4:3:3:	C[5]-3:C[5]-4:H-1:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(H)	C[5](C[5]C[5]H)(O[5]C[5])(H)2	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(H){4|C<3>}	C[5](C[5]C[5]H)(O[5]C[5])(H)2{3|C<3>}	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]H){4|C<3>,4|H<1>}	111.8750	0.000	1	111.8750	0.000	1	111.4995	0.282	2	111.4995	0.282	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	3:2:4:1:	3:4:3:	C[5]-3:C[5]-4:H-1:	C[5]-3:O[5]-2:C-4:H-1:	N[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]N[6a]C[5])(C[5]O[5]CH)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CHHO)(H)	C[5](N[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]H)	C[5](C[5]N[6a]C[5])(C[5]O[5]CH)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]H)(O[5]C[5])(CHHO)(H){1|N<3>,2|H<1>}	C[5](N[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	109.5230	0.041	2	109.5230	0.002	2	109.5230	0.002	2	109.5230	0.002	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	3:2:4:4:	3:3:3:	C[5]-3:C[5]-4:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]O[5]CC)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CH3)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]O[5]O)	C[5](C[5]C[6a]C[5])(C[5]O[5]CC)(H){1|O<1>,2|C<3>}	C[5](C[5]C[5]H)(O[5]C[5])(CH3)2{1|C<3>,1|O<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]O[5]O){2|C<3>,2|C<4>,2|H<1>}	112.4825	0.064	2	112.4825	0.004	2	112.4825	0.004	2	112.4825	0.004	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	3:2:4:4:	4:3:1:	C[5]-3:C[5]-4:Cl-1:	C[5]-3:O[5]-2:C-4:C-4:	C[5,6]-4:C[5]-3:I-1:	C[5](C[5]C[5,6]I)(C[5]O[5]CC)(Cl)	C[5](C[5]C[5]Cl)(O[5]C[5,6])(CH3)2	C[5](C[5,6]C[6,6a]O[5]O[6])(C[5]C[5]Cl)(I)	C[5](C[5]C[5,6]I)(C[5]O[5]CC)(Cl){1|C<3>,1|O<2>}	C[5](C[5]C[5]Cl)(O[5]C[5,6])(CH3)2{1|C<3>,1|I<1>,1|O<2>}	C[5](C[5,6]C[6,6a]O[5]O[6])(C[5]C[5]Cl)(I){2|C<4>,3|C<3>}	112.5500	0.000	1	112.5500	0.000	1	112.5500	0.000	1	112.5500	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2{1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){1|O<2>,4|C<3>,4|H<1>}	111.4690	0.000	1	112.3318	0.278	5	112.3318	0.278	5	111.6978	2.634	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2{1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){4|H<1>,5|C<3>}	112.5475	0.246	4	112.3318	0.278	5	112.3318	0.278	5	111.6978	2.634	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(O){1|C<4>,3|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]O){3|C<3>,4|H<1>}	108.5280	0.000	1	108.5280	0.000	1	108.5280	0.000	1	111.6978	2.634	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	3:3:1:1:	3:4:3:	C[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]3)(C[5]C[5]H)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H){2|C<3>,3|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]3)(C[5]C[5]H){1|Mo<8>,2|C<3>,4|C<4>,7|H<1>}	111.9130	0.000	1	111.9130	0.000	1	111.9130	0.000	1	111.8250	0.021	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	3:3:1:1:	3:4:3:	C[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6]-4:C[5]-3:	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]C[5]H)	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]C[5]H){3|C<3>,3|H<1>,5|C<4>}	111.9730	0.000	1	111.9730	0.000	1	111.7957	0.026	3	111.8250	0.021	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	3:3:1:1:	3:4:3:	C[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6]-4:C[5]-3:	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6]H)(C[5]C[5]H)	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6]H)(C[5]C[5]H){1|C<4>,1|F<1>,4|C<3>,4|H<1>}	111.6580	0.000	1	111.7070	0.005	2	111.7957	0.026	3	111.8250	0.021	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	3:3:1:1:	3:4:3:	C[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6]-4:C[5]-3:	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6]H)(C[5]C[5]H)	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6]H)(C[5]C[5]H){1|C<4>,4|C<3>,5|H<1>}	111.7560	0.000	1	111.7070	0.005	2	111.7957	0.026	3	111.8250	0.021	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,5,6]H)(C[5]N[5,5]HH)(H)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5]H)(H)2	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[5]C[5]H)(H)	C[5](C[5]C[5,5,6]H)(C[5]N[5,5]HH)(H){3|C<3>}	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5]H)(H)2{1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[5]C[5]H)(H){1|C<4>,3|C<3>,3|H<1>}	112.4080	0.000	1	112.4080	0.000	1	112.4080	0.000	1	111.4145	1.974	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-4:H-1:	N[5]-3:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]H)(C[5]N[5]HH)(H)	C[5](N[5]C[5,6]C)(C[5]C[5]H)(H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(H)	C[5](C[5]C[5,6]H)(C[5]N[5]HH)(H){3|C<4>}	C[5](N[5]C[5,6]C)(C[5]C[5]H)(H)2{1|H<1>,2|C<4>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(H){3|C<4>,6|H<1>}	110.4210	0.000	1	110.4210	0.000	1	110.4210	0.000	1	111.4145	1.974	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	3:3:1:1:	4:3:3:	C[5]-3:C[5]-4:H-1:	C[5]-3:C[5]-3:H-1:H-1:	C[6]-4:C[5]-3:C[5]-3:	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(H)	C[5](C[5]C[5]H)2(H)2	C[5](C[6]C[5x3,5x5,20x6]C[6]2)(C[5]C[5]H)2	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(H){1|C<6>,2|C<4>,2|H<1>}	C[5](C[5]C[5]H)2(H)2{1|C<4>,1|H<1>}	C[5](C[6]C[5x3,5x5,20x6]C[6]2)(C[5]C[5]H)2{2|C<4>,5|B<6>,7|H<1>}	109.0230	0.018	2	109.0230	0.000	2	109.0230	0.000	2	111.3163	5.896	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	3:3:1:1:	4:3:3:	C[5]-3:C[5]-4:H-1:	C[5]-3:N[5]-3:H-1:H-1:	C[6]-4:C[5]-3:C[5]-3:	C[5](C[5]C[5]C[6])(C[5]N[5]HH)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2	C[5](C[6]C[6,6a]N[6]H)(C[5]C[5]H)(C[5]N[5]O)	C[5](C[5]C[5]C[6])(C[5]N[5]HH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2{1|C<4>,1|O<1>}	C[5](C[6]C[6,6a]N[6]H)(C[5]C[5]H)(C[5]N[5]O){1|C<4>,2|H<1>,4|C<3>}	111.1010	0.000	1	111.4375	0.226	2	111.4375	0.226	2	111.3163	5.896	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	3:3:1:1:	4:3:3:	C[5]-3:C[5]-4:H-1:	C[5]-3:N[5]-3:H-1:H-1:	C[6]-4:C[5]-3:C[5]-3:	C[5](C[5]C[5]C[6])(C[5]N[5]HH)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2	C[5](C[6]C[6,6a]N[6]H)(C[5]C[5]H)(C[5]N[5]O)	C[5](C[5]C[5]C[6])(C[5]N[5]HH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2{1|C<4>,1|O<1>}	C[5](C[6]C[6,6a]N[6]H)(C[5]C[5]H)(C[5]N[5]O){2|H<1>,5|C<3>}	111.7740	0.000	1	111.4375	0.226	2	111.4375	0.226	2	111.3163	5.896	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	3:3:1:1:	4:3:3:	C[5]-3:C[5]-4:H-1:	C[5]-3:O[5]-3:H-1:H-1:	B[5]-4:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]B[5])(C[5]O[5]HH)(H)	C[5](C[5]C[5]H)(O[5]B[5]C)(H)2	C[5](B[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[6a]B[5])(C[5]O[5]HH)(H){1|C<4>,4|C<3>}	C[5](C[5]C[5]H)(O[5]B[5]C)(H)2{3|C<3>}	C[5](B[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,2|F<1>,2|H<1>,6|C<3>}	115.6410	0.000	1	115.6410	0.000	1	115.6410	0.000	1	111.3163	5.896	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	3:3:1:1:	4:3:3:	C[5]-3:C[5]-4:H-1:	N[5]-3:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5](C[5]C[5,5]C)(C[5]N[5]HH)(H)	C[5](N[5]C[5,5]C)(C[5]C[5]H)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]H)(COO)	C[5](C[5]C[5,5]C)(C[5]N[5]HH)(H){3|C<3>}	C[5](N[5]C[5,5]C)(C[5]C[5]H)(H)2{3|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]H)(COO){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	111.3360	0.000	1	111.3360	0.000	1	111.3360	0.000	1	111.3163	5.896	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	3:3:1:1:	4:4:3:	C[5]-3:C[5]-4:H-1:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[6]-4:C[5]-3:	C[5](C[5]C[5]C[6])(C[5]N[5]HH)(H)	C[5](C[5]C[5]H)(N[5]C[5]S)(H)2	C[5](C[5]N[5]HH)(C[6]C[6]2H)(C[5]C[5]H)	C[5](C[5]C[5]C[6])(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[5](C[5]C[5]H)(N[5]C[5]S)(H)2{1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(C[6]C[6]2H)(C[5]C[5]H){1|C<3>,1|C<4>,1|O<2>,1|S<4>,4|H<1>}	113.4340	0.000	1	113.4340	0.000	1	113.4340	0.000	1	113.4340	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	3:3:1:1:	6:3:3:	C[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5x3,5x5,20x6]-6:C[5,6a]-3:C[5]-3:	C[5](C[5]C[5x3,5x5,20x6]C[5,6a])(C[5]C[5,6a]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2	C[5](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)	C[5](C[5]C[5x3,5x5,20x6]C[5,6a])(C[5]C[5,6a]HH)(H){1|C<6>,2|C<3>,4|B<6>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2{1|C<6>,1|H<1>,2|C<3>}	C[5](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H){2|C<3>,5|B<6>,8|H<1>}	111.5920	0.000	1	111.5920	0.000	1	111.5920	0.000	1	111.5920	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	3:3:2:1:	4:3:1:	C[5]-3:C[5]-4:H-1:	C[5]-3:C[5]-3:O-2:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]H)(C[5]C[5]HO)(H)	C[5](C[5]C[5,6]C)(C[5]C[5]H)(OH)(H)	C[5](C[5,6]C[5]O[6]2)(C[5]C[5]H)(H)	C[5](C[5]C[5,6]H)(C[5]C[5]HO)(H){1|C<3>,2|O<2>}	C[5](C[5]C[5,6]C)(C[5]C[5]H)(OH)(H){1|H<1>,2|O<2>}	C[5](C[5,6]C[5]O[6]2)(C[5]C[5]H)(H){1|H<1>,1|O<2>,3|C<3>}	112.8470	0.000	1	112.8470	0.000	1	112.8470	0.000	1	112.8470	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	3:3:3:1:	3:3:3:	C[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(H){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]C)(H){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){4|H<1>,5|C<3>}	112.6090	0.000	1	112.6090	0.000	1	112.6090	0.000	1	112.6090	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	3:3:3:1:	4:3:3:	C[5]-3:C[5]-4:I-1:	N[5,5]-3:C[5]-3:C-3:H-1:	C[5,5,6]-4:C[6a]-3:C[5]-3:	C[5](C[5]C[5,5,6]C[6a])(C[5]N[5,5]CH)(I)	C[5](N[5,5]C[5,5,6]S[5])(C[5]C[5]I)(CCC)(H)	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[6a]C[6a]2)(C[5]C[5]I)	C[5](C[5]C[5,5,6]C[6a])(C[5]N[5,5]CH)(I){1|C<4>,1|S<4>,3|C<3>}	C[5](N[5,5]C[5,5,6]S[5])(C[5]C[5]I)(CCC)(H){2|C<3>,2|C<4>,2|O<1>}	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[6a]C[6a]2)(C[5]C[5]I){1|S<4>,2|C<4>,4|C<3>,5|H<1>}	114.2150	0.000	1	114.2150	0.000	1	114.2150	0.000	1	114.2150	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	3:3:4:1:	3:3:3:	C[5]-3:C[5]-4:Br-1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(Br)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Br)(CF3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]Br)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(Br){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Br)(CF3)(H){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]Br){1|C<4>,4|C<3>,4|H<1>}	112.2230	0.000	1	112.2230	0.000	1	112.2230	0.000	1	112.2230	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	3:3:4:2:	3:3:3:	C[5]-3:C[5]-4:O-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]CO)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(C[5]C[5]O)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]CO)(O){1|C<4>,1|N<3>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)(OH){1|O<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(C[5]C[5]O){1|O<2>,2|C<3>,2|H<1>,5|C<4>}	109.1335	0.158	2	109.1335	0.025	2	109.1335	0.025	2	108.6192	0.499	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	3:3:4:2:	3:3:3:	C[5]-3:C[5]-4:O-1:	C[5]-3:N[5]-3:C-4:O-2:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]N[5]CO)(O)	C[5](C[5]C[5]O)(N[5]C[5]H)(CCHH)(OC)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(C[5]N[5]CO)(O){1|H<1>,3|C<3>}	C[5](C[5]C[5]O)(N[5]C[5]H)(CCHH)(OC){2|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	107.4300	0.000	1	107.4300	0.000	1	108.2763	0.544	3	108.6192	0.499	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	3:3:4:2:	3:3:3:	C[5]-3:C[5]-4:O-1:	C[5]-3:N[5]-3:C-4:O-2:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]N[5]CO)(O)	C[5](C[5]C[5]O)(N[5]C[5]H)(CCHH)(OH)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(C[5]N[5]CO)(O){1|H<1>,3|C<3>}	C[5](C[5]C[5]O)(N[5]C[5]H)(CCHH)(OH){2|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	108.6995	0.115	2	108.6995	0.013	2	108.2763	0.544	3	108.6192	0.499	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	3:3:4:3:	3:3:2:	C[5]-3:C[5]-4:H-1:	C[5]-3:C[5]-3:C-4:C-3:	C[6a]-3:C[5]-3:O[5]-2:	C[5](C[5]C[6a]O[5])(C[5]C[5]CC)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)(CCH)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])	C[5](C[5]C[6a]O[5])(C[5]C[5]CC)(H){1|O<1>,2|C<3>}	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)(CCH){1|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	110.1110	0.021	2	110.1110	0.000	2	110.1110	0.000	2	110.1110	0.000	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	3:3:4:3:	3:3:3:	C[5]-3:C[5]-4:H-1:	C[5]-3:C[5]-3:C-4:C-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3)(CCO)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(H){4|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3)(CCO){2|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,2|H<1>,6|C<3>}	111.5810	0.000	1	111.5810	0.000	1	111.5810	0.000	1	111.5810	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	3:3:4:4:	3:3:2:	C[5]-3:C[5]-4:O-1:	C[5]-3:N[5]-3:C-4:C-4:	C[6a]-3:C[5]-3:N[5]-2:	C[5](C[5]C[6a]N[5])(C[5]N[5]CC)(O)	C[5](C[5]C[5]O)(N[5]N[5]S)(CH3)2	C[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]N[5])	C[5](C[5]C[6a]N[5])(C[5]N[5]CC)(O){1|S<4>,2|C<3>}	C[5](C[5]C[5]O)(N[5]N[5]S)(CH3)2{1|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]N[5]){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	106.8840	0.000	1	106.8840	0.000	1	106.8840	0.000	1	106.8840	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	3:3:4:4:	3:3:3:	C[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCHH)(CF3)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(H){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCHH)(CF3){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){2|C<4>,3|H<1>,4|C<3>}	112.6585	1.155	2	112.6585	1.333	2	112.7773	0.396	6	112.7773	0.396	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	3:3:4:4:	3:3:3:	C[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(H){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CH3)2{1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]H){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	112.3870	0.000	1	112.3870	0.000	1	112.7773	0.396	6	112.7773	0.396	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	3:3:4:4:	3:3:3:	C[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(H){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CH3)2{1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	112.7810	0.286	2	112.9867	0.168	3	112.7773	0.396	6	112.7773	0.396	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	3:3:4:4:	3:3:3:	C[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(H){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CH3)2{1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){2|C<4>,3|H<1>,4|C<3>}	113.3980	0.000	1	112.9867	0.168	3	112.7773	0.396	6	112.7773	0.396	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	3:3:4:4:	4:4:3:	C[5]-3:C[5]-4:H-1:	C[5]-3:N[5]-3:C-4:C-4:	C[6]-4:C[5]-4:C[5]-3:	C[5](C[5]C[5]C[6])(C[5]N[5]CC)(H)	C[5](C[5]C[5]H)(N[5]C[5]O)(CH3)2	C[5](C[6]C[6]S[6]H)(C[5]N[5]CC)(C[5]C[5]H)	C[5](C[5]C[5]C[6])(C[5]N[5]CC)(H){1|H<1>,1|O<1>,1|S<2>,3|C<4>}	C[5](C[5]C[5]H)(N[5]C[5]O)(CH3)2{3|C<4>}	C[5](C[6]C[6]S[6]H)(C[5]N[5]CC)(C[5]C[5]H){1|C<3>,1|O<1>,1|S<2>,2|C<4>,2|H<1>}	114.7710	0.000	1	114.7710	0.000	1	114.7710	0.000	1	114.7710	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	3:3:4:4:	6:3:3:	C[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	B[5x3,5x5,20x6]-6:C[5,6a]-3:C[5]-3:	C[5](C[5]B[5x3,5x5,20x6]C[5,6a])(C[5]C[5,6a]CC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CH3)2	C[5](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)	C[5](C[5]B[5x3,5x5,20x6]C[5,6a])(C[5]C[5,6a]CC)(H){1|C<6>,2|C<3>,4|B<6>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CH3)2{1|B<6>,1|H<1>,2|C<3>}	C[5](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H){1|C<6>,2|C<3>,2|C<4>,4|B<6>,6|H<1>}	113.5120	0.000	1	113.5120	0.000	1	113.5120	0.000	1	113.5120	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	4:3:1:1:	3:3:2:	C[5]-3:C[5]-4:I-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:O[5]-2:	C[5](C[5]C[6a]O[5])(C[5]C[5]HH)(I)	C[5](C[5]O[5]HH)(C[5]C[5]I)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]I)(O[5]C[5])	C[5](C[5]C[6a]O[5])(C[5]C[5]HH)(I){2|C<3>,2|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]I)(H)2{1|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]I)(O[5]C[5]){1|N<3>,2|C<3>,5|H<1>}	110.5280	0.000	1	110.5280	0.000	1	110.5280	0.000	1	110.5280	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	4:3:1:1:	3:3:3:	C[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)	C[5](C[5]C[5]BrH)(C[5]C[5]H)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H){1|Br<1>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5]BrH)(C[5]C[5]H)(H)2{1|C<3>,1|O<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]C[5]O){1|Br<1>,2|C<3>,5|H<1>}	114.9580	0.000	1	114.9580	0.000	1	114.9580	0.000	1	108.6750	3.955	19	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	4:3:1:1:	3:3:3:	C[5]-3:C[5]-4:I-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(I)	C[5](C[5]N[5]HH)(C[5]C[5]I)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]I)(N[5]C[5]S)	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(I){1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]I)(H)2{1|C<3>,1|S<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]I)(N[5]C[5]S){1|N<2>,2|C<3>,5|H<1>}	112.7170	0.000	1	112.7170	0.000	1	112.7170	0.000	1	108.6750	3.955	19	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	4:3:1:1:	3:3:3:	C[5]-3:C[5]-4:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-3:C[5a]-3:C[5]-3:	C[5](C[5]C[5,5]C[5a])(C[5]C[5,5]HH)(O)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(H)2	C[5](C[5,5]C[5,5]C[5,6])(C[5a]C[5a]S[5a])(C[5]C[5]O)	C[5](C[5]C[5,5]C[5a])(C[5]C[5,5]HH)(O){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5,6])(C[5a]C[5a]S[5a])(C[5]C[5]O){2|C<3>,3|C<4>,5|H<1>}	108.4900	0.118	4	108.4900	0.014	4	108.4900	0.014	4	108.6750	3.955	19	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	4:3:1:1:	3:3:3:	C[5]-3:C[5]-4:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(O)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(H)2	C[5](C[5,5]C[5,5]C[5,6])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(O){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5,6])(C[6a]C[6a]2)(C[5]C[5]O){2|C<3>,3|C<4>,6|H<1>}	108.0660	0.000	1	108.0660	0.000	1	107.9835	0.014	2	108.6750	3.955	19	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	4:3:1:1:	3:3:3:	C[5]-3:C[5]-4:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(O)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(H)2	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(O){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]O){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	107.9010	0.000	1	107.9010	0.000	1	107.9835	0.014	2	108.6750	3.955	19	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	4:3:1:1:	3:3:3:	C[5]-3:C[5]-4:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5,5]HH)(O)	C[5](C[5,5]C[5]3)(C[5]C[5]O)(H)2	C[5](C[5]C[5,5]C[3])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(C[5]C[5,5]HH)(O){2|C<4>,3|C<3>}	C[5](C[5,5]C[5]3)(C[5]C[5]O)(H)2{1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]C[3])(C[6a]C[6a]2)(C[5]C[5]O){3|C<3>,3|C<4>,5|H<1>}	107.9900	0.000	1	107.9900	0.000	1	107.9900	0.000	1	108.6750	3.955	19	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	4:3:1:1:	3:3:3:	C[5]-3:C[5]-4:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	C[5](C[5,6]C[5,6]C[6,6])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(O){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6,6])(C[6a]C[6a]2)(C[5]C[5]O){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	108.8220	0.000	1	108.8220	0.000	1	108.0357	0.699	3	108.6750	3.955	19	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	4:3:1:1:	3:3:3:	C[5]-3:C[5]-4:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(O){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	108.1280	0.000	1	108.1280	0.000	1	108.0357	0.699	3	108.6750	3.955	19	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	4:3:1:1:	3:3:3:	C[5]-3:C[5]-4:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	C[5](C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(O){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,4|C<3>,5|H<1>}	107.1570	0.000	1	107.1570	0.000	1	108.0357	0.699	3	108.6750	3.955	19	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	4:3:1:1:	3:3:3:	C[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:Br-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]BrH)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(Br)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(C[5]C[5]BrH)(O){2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(Br)(H){1|C<3>,1|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]C[5]O){1|Br<1>,2|C<3>,5|H<1>}	107.5220	0.000	1	107.5220	0.000	1	107.5220	0.000	1	108.6750	3.955	19	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	4:3:1:1:	3:3:3:	C[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:F-1:F-1:	C[5a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(O)	C[5](C[5]C[5]FF)(C[5]C[5]O)(F)2	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]O)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(O){2|F<1>,3|C<3>}	C[5](C[5]C[5]FF)(C[5]C[5]O)(F)2{2|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]O){1|O<2>,4|F<1>,5|C<3>}	105.8870	0.000	1	105.8870	0.000	1	105.8870	0.000	1	108.6750	3.955	19	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	4:3:1:1:	3:3:3:	C[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:F-1:F-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]FF)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(F)2	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]C[5]S)	C[5](C[5]C[6a]C[5])(C[5]C[5]FF)(O){1|S<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(F)2{1|C<3>,1|S<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]C[5]S){2|C<3>,2|F<1>,4|H<1>}	107.5750	0.000	1	107.5750	0.000	1	107.5750	0.000	1	108.6750	3.955	19	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	4:3:1:1:	3:3:3:	C[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C[6]-3:	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(C[6]C[6]2)	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(O){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{2|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]O)(C[6]C[6]2){4|C<4>,5|H<1>}	108.3950	0.000	1	108.3950	0.000	1	108.3950	0.000	1	108.6750	3.955	19	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	4:3:1:1:	3:3:3:	C[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5a]-3:C[5]-3:	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5]CO)(C[5]C[5]O)(H)2	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]O)	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(O){1|C<4>,1|O<2>,3|C<3>}	C[5](C[5]C[5]CO)(C[5]C[5]O)(H)2{2|C<3>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]O){1|O<2>,1|S<2>,2|C<4>,3|C<3>,3|H<1>}	107.8930	0.000	1	107.8930	0.000	1	107.8930	0.000	1	108.6750	3.955	19	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	4:3:1:1:	3:3:3:	C[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]C[5]S)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(O){1|H<1>,1|S<2>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2{1|S<2>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]C[5]S){3|C<3>,5|H<1>}	108.9270	0.000	2	108.9270	0.000	2	108.9270	0.000	2	108.6750	3.955	19	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	4:3:1:1:	3:4:3:	C[5]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5,6]-4:C[5]-3:	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]C)(C[5]C[5]H)	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(H){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]C)(C[5]C[5]H){2|C<4>,3|C<3>,6|H<1>}	112.5470	0.000	1	112.5470	0.000	1	112.5470	0.000	1	112.2880	3.950	12	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	4:3:1:1:	3:4:3:	C[5]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	N[5a]-3:C[5,6]-4:C[5]-3:	C[5](C[5]C[5,6]N[5a])(C[5]C[5,6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2	C[5](N[5a]C[5a,6a]N[5a])(C[5,6]C[5,6]C[6]C)(C[5]C[5]H)	C[5](C[5]C[5,6]N[5a])(C[5]C[5,6]HH)(H){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2{1|H<1>,1|N<3>,4|C<4>}	C[5](N[5a]C[5a,6a]N[5a])(C[5,6]C[5,6]C[6]C)(C[5]C[5]H){2|C<4>,3|C<3>,5|H<1>}	111.9280	0.000	1	111.9280	0.000	1	111.9280	0.000	1	112.2880	3.950	12	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	4:3:1:1:	3:4:3:	C[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H){1|C<3>,1|N<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|C<3>,2|H<1>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]C[5]H){1|C<3>,1|N<2>,1|O<2>,5|H<1>}	111.8740	0.320	2	111.8740	0.102	2	111.8740	0.102	2	112.2880	3.950	12	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	4:3:1:1:	3:4:3:	C[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H){1|C<4>,1|H<1>,2|C<2>,2|C<3>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2{1|C<3>,2|C<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H){1|C<4>,2|C<3>,5|H<1>}	115.0385	0.104	2	115.0385	0.011	2	113.0304	3.455	7	112.2880	3.950	12	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	4:3:1:1:	3:4:3:	C[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H){2|C<3>,6|H<1>}	113.2800	0.854	2	113.2800	0.730	2	113.0304	3.455	7	112.2880	3.950	12	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	4:3:1:1:	3:4:3:	C[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]H){2|C<3>,6|H<1>}	113.3470	0.000	1	113.3470	0.000	1	113.0304	3.455	7	112.2880	3.950	12	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	4:3:1:1:	3:4:3:	C[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H){2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H){2|C<3>,6|H<1>}	110.6145	0.162	2	110.6145	0.026	2	113.0304	3.455	7	112.2880	3.950	12	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	4:3:1:1:	3:4:3:	C[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6]-3:C[5]-4:C[5]-3:	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[6]C[6]S[6])(C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(O){1|C<4>,1|S<2>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,2|H<1>}	C[5](C[6]C[6]S[6])(C[5]C[5]HH)(C[5]C[5]O){1|C<3>,1|C<4>,1|S<2>,5|H<1>}	108.0200	0.000	1	108.0200	0.000	1	108.0200	0.000	1	112.2880	3.950	12	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	4:3:1:1:	4:3:1:	C[5]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6,6]H)(C[5]C[5,6]HH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]H)(H)2	C[5](C[5,6,6]N[5,6,6]C[6,6a]C[5,6])(C[5]C[5]H)(H)	C[5](C[5]C[5,6,6]H)(C[5]C[5,6]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5](C[5,6,6]N[5,6,6]C[6,6a]C[5,6])(C[5]C[5]H)(H){2|C<4>,3|C<3>,3|H<1>}	112.4270	0.000	1	112.4270	0.000	1	112.4270	0.000	1	111.7490	1.537	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	4:3:1:1:	4:3:1:	C[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]H)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5]H)(H)2	C[5](C[5,5]C[5]3)(C[5]C[5]H)(H)	C[5](C[5]C[5,5]H)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,5]C[5]3)(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	109.6780	0.000	1	110.7280	2.205	2	110.7280	2.205	2	111.7490	1.537	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	4:3:1:1:	4:3:1:	C[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]H)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5]H)(H)2	C[5](C[5,5]C[5]3)(C[5]C[5]H)(H)	C[5](C[5]C[5,5]H)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,5]C[5]3)(C[5]C[5]H)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	111.7780	0.000	1	110.7280	2.205	2	110.7280	2.205	2	111.7490	1.537	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	4:3:1:1:	4:3:1:	C[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]H)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5]H)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(H)	C[5](C[5]C[5,6]H)(C[5]C[5]HH)(H){1|H<1>,3|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5]H)(H)2{1|H<1>,2|C<4>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(H){3|C<4>,7|H<1>}	111.9480	0.000	1	111.9480	0.000	1	112.4310	0.467	2	111.7490	1.537	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	4:3:1:1:	4:3:1:	C[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]H)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5]H)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(H)	C[5](C[5]C[5,6]H)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(H){1|N<3>,2|C<3>,6|H<1>}	112.9140	0.000	1	112.9140	0.000	1	112.4310	0.467	2	111.7490	1.537	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	4:3:1:1:	4:3:2:	C[5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-3:O-2:	C[5](C[5]C[5,5,6]O)(C[5]C[5,5]HH)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]H)(H)2	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]H)(OSi)	C[5](C[5]C[5,5,6]O)(C[5]C[5,5]HH)(H){1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]H)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]H)(OSi){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	111.6970	0.000	1	111.6970	0.000	1	111.6970	0.000	1	111.6970	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	4:3:1:1:	4:3:3:	C[5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H){4|C<3>,7|H<1>}	114.5770	0.321	2	114.5770	0.103	2	114.5770	0.103	2	111.6051	4.237	26	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	4:3:1:1:	4:3:3:	C[5]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(H){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]H){1|C<3>,1|N<2>,2|C<4>,7|H<1>}	111.8460	0.463	3	111.8460	0.215	3	111.8460	0.215	3	111.6051	4.237	26	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	4:3:1:1:	4:3:3:	C[5]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:N[5a]-3:C[5]-3:	C[5](C[5]C[5,6]N[5a])(C[5]C[5,6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]C)(N[5a]C[5a]N[5a])(C[5]C[5]H)	C[5](C[5]C[5,6]N[5a])(C[5]C[5,6]HH)(H){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2{1|H<1>,1|N<3>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(N[5a]C[5a]N[5a])(C[5]C[5]H){2|C<3>,2|C<4>,6|H<1>}	110.7720	0.000	1	110.7720	0.000	1	110.7720	0.000	1	111.6051	4.237	26	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	4:3:1:1:	4:3:3:	C[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5](C[5]C[5,5]C)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]CC)(C[5]C[5]H)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(COO)	C[5](C[5]C[5,5]C)(C[5]C[5]HH)(H){4|C<3>}	C[5](C[5]C[5,5]CC)(C[5]C[5]H)(H)2{3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(COO){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	112.5930	0.000	1	112.5930	0.000	1	112.5484	0.086	7	111.6051	4.237	26	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	4:3:1:1:	4:3:3:	C[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5](C[5]C[5,5]C)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5]H)(H)2	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(COO)	C[5](C[5]C[5,5]C)(C[5]C[5]HH)(H){1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,5]CH)(C[5]C[5]H)(H)2{1|O<2>,2|C<3>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(COO){1|O<1>,3|C<3>,3|H<1>}	112.6360	0.000	1	112.6360	0.000	1	112.5484	0.086	7	111.6051	4.237	26	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	4:3:1:1:	4:3:3:	C[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5](C[5]C[5,5]C)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(COO)	C[5](C[5]C[5,5]C)(C[5]C[5]HH)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(H)2{5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(COO){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	112.4530	0.000	1	112.4670	0.000	2	112.5484	0.086	7	111.6051	4.237	26	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	4:3:1:1:	4:3:3:	C[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5](C[5]C[5,5]C)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(COO)	C[5](C[5]C[5,5]C)(C[5]C[5]HH)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(H)2{5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(COO){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	112.4810	0.000	1	112.4670	0.000	2	112.5484	0.086	7	111.6051	4.237	26	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	4:3:1:1:	4:3:3:	C[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5](C[5]C[5,5]C)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(H)2	C[5](C[5,5]C[5]2N[5])(C[5]C[5]H)(COO)	C[5](C[5]C[5,5]C)(C[5]C[5]HH)(H){1|H<1>,1|N<2>,2|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(H)2{1|N<2>,4|C<3>}	C[5](C[5,5]C[5]2N[5])(C[5]C[5]H)(COO){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	112.3390	0.000	1	112.3390	0.000	1	112.5484	0.086	7	111.6051	4.237	26	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	4:3:1:1:	4:3:3:	C[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5](C[5]C[5,5]C)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(H)2	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(COO)	C[5](C[5]C[5,5]C)(C[5]C[5]HH)(H){1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(H)2{1|O<2>,4|C<3>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(COO){1|O<1>,3|C<3>,3|H<1>}	112.6685	0.647	2	112.6685	0.419	2	112.5484	0.086	7	111.6051	4.237	26	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	4:3:1:1:	4:3:3:	C[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C[5]-3:	C[5](C[5]C[5,5]C[5])(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5]H)(H)2	C[5](C[5,5]C[5]2N[5])(C[5]C[5]N[5])(C[5]C[5]H)	C[5](C[5]C[5,5]C[5])(C[5]C[5]HH)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[5](C[5]C[5,5]HH)(C[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|N<3>}	C[5](C[5,5]C[5]2N[5])(C[5]C[5]N[5])(C[5]C[5]H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,8|H<1>}	112.9250	0.000	1	112.9250	0.000	1	112.9250	0.000	1	111.6051	4.237	26	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	4:3:1:1:	4:3:3:	C[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5](C[5]C[5,6]C)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5]H)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(CCC)	C[5](C[5]C[5,6]C)(C[5]C[5]HH)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]H)(H)2{1|C<3>,2|C<4>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(CCC){3|C<4>,7|H<1>}	112.6550	0.583	2	112.6550	0.339	2	112.6550	0.339	2	111.6051	4.237	26	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	4:3:1:1:	4:3:3:	C[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C[6]-3:	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]H)(C[6]C[6]2)	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(H){1|C<3>,1|H<1>,4|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2{1|C<3>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]H)(C[6]C[6]2){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	112.8870	0.000	1	112.8870	0.000	1	113.3830	0.229	3	111.6051	4.237	26	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	4:3:1:1:	4:3:3:	C[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C[6]-3:	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(C[6]C[6]2)	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(C[6]C[6]2){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	113.6310	0.297	2	113.6310	0.088	2	113.3830	0.229	3	111.6051	4.237	26	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	4:3:1:1:	4:3:3:	C[5]-3:C[5]-4:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C[5]-3:	C[5](C[5]C[5,5]C[5])(C[5]C[5,5]HH)(O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O[5])(C[5]C[5]O)	C[5](C[5]C[5,5]C[5])(C[5]C[5,5]HH)(O){2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O[5])(C[5]C[5]O){1|O<2>,3|C<4>,7|H<1>}	108.8035	0.639	2	108.8035	0.408	2	108.8035	0.408	2	111.6051	4.237	26	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	4:3:1:1:	4:3:3:	C[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5](C[5]C[5,5]C)(C[5]C[5]HH)(O)	C[5](C[5]C[5,5]CH)(C[5]C[5]O)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CC[6a]H)	C[5](C[5]C[5,5]C)(C[5]C[5]HH)(O){1|H<1>,3|C<3>}	C[5](C[5]C[5,5]CH)(C[5]C[5]O)(H)2{3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CC[6a]H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	108.8930	0.000	1	108.8930	0.000	1	108.9265	0.002	2	111.6051	4.237	26	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	4:3:1:1:	4:3:3:	C[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5](C[5]C[5,5]C)(C[5]C[5]HH)(O)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(H)2	C[5](C[5,5]C[5]3)(C[5]C[5]O)(CC[6a]H)	C[5](C[5]C[5,5]C)(C[5]C[5]HH)(O){1|H<1>,3|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(H)2{5|C<3>}	C[5](C[5,5]C[5]3)(C[5]C[5]O)(CC[6a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|H<1>}	108.9600	0.000	1	108.9600	0.000	1	108.9265	0.002	2	111.6051	4.237	26	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	4:3:1:1:	4:3:3:	C[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5](C[5]C[5,6]C)(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5]O)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CC[6a]H)	C[5](C[5]C[5,6]C)(C[5]C[5]HH)(O){1|H<1>,3|C<3>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5]O)(H)2{5|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CC[6a]H){1|C<3>,2|N<3>,2|O<1>,3|H<1>}	108.7310	0.000	1	108.7310	0.000	1	108.7310	0.000	1	111.6051	4.237	26	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	4:3:1:1:	4:3:3:	C[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C[5]-3:	C[5](C[5]C[5,6]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[5,6]C[5])(C[5]C[5]HH)(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{2|C<4>}	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]C)(C[5]C[5]O){1|C<3>,3|C<4>,6|H<1>}	108.1840	0.000	1	108.1840	0.000	1	108.1840	0.000	1	111.6051	4.237	26	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	4:3:1:1:	4:3:3:	C[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6]-4:C[5]-3:C[5]-3:	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[6]C[5,6]C[6]H)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(O){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{2|C<4>}	C[5](C[6]C[5,6]C[6]H)(C[5]C[5]C)(C[5]C[5]O){1|O<1>,4|C<4>,4|H<1>}	107.6710	0.000	1	107.6710	0.000	1	107.6710	0.000	1	111.6051	4.237	26	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	4:3:1:1:	4:3:4:	C[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	Si[5]-4:C[5]-3:Si-4:	C[5](C[5]Si[5]Si)(C[5]C[5]HH)(H)	C[5](C[5]Si[5]Si2)(C[5]C[5]H)(H)2	C[5](Si[5]C[3]C[5]O)(C[5]C[5]H)(SiC3)	C[5](C[5]Si[5]Si)(C[5]C[5]HH)(H){2|Si<4>,1|C<3>,1|O<2>}	C[5](C[5]Si[5]Si2)(C[5]C[5]H)(H)2{1|Si<4>,1|C<3>,1|O<2>}	C[5](Si[5]C[3]C[5]O)(C[5]C[5]H)(SiC3){2|Si<4>,1|C<3>,1|C<4>,2|H<1>}	121.2320	0.000	1	121.2320	0.000	1	121.2320	0.000	1	121.2320	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	4:3:1:1:	4:4:3:	C[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-3:	C[5](C[5]C[5,6]C[5])(C[5]C[5]HH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	C[5](C[5,6]C[5,6]2C[6])(C[5]C[5]CH)(C[5]C[5]H)	C[5](C[5]C[5,6]C[5])(C[5]C[5]HH)(H){3|H<1>,4|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]2C[6])(C[5]C[5]CH)(C[5]C[5]H){1|O<2>,5|C<4>,7|H<1>}	112.9200	0.000	1	112.9200	0.000	1	112.9200	0.000	1	112.9200	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	4:3:2:1:	3:3:3:	C[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:O-2:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]HO)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(OH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(C[5]C[5]HO)(O){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(OH)(H){1|C<3>,1|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]O){1|O<2>,2|C<3>,5|H<1>}	109.3270	0.000	1	109.3270	0.000	1	109.3270	0.000	1	109.3270	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	4:3:2:1:	4:3:3:	C[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:O-2:H-1:	Si[5]-4:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]Si[5])(C[5]C[5]HO)(H)	C[5](C[5]Si[5]HH)(C[5]C[5]H)(OC)(H)	C[5](Si[5]C[5]CC)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[6a]Si[5])(C[5]C[5]HO)(H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]Si[5]HH)(C[5]C[5]H)(OC)(H){1|C<3>,2|C<4>}	C[5](Si[5]C[5]CC)(C[6a]C[6a]2)(C[5]C[5]H){1|O<2>,2|C<3>,5|H<1>}	119.2840	0.000	1	119.2840	0.000	1	119.2840	0.000	1	119.2840	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	4:3:2:2:	3:3:3:	C[5]-3:C[5]-4:O-1:	C[5,5]-4:C[5]-3:O-2:O-2:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5,5]OO)(O)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O)(OC)2	C[5](C[5]C[5,5]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(C[5]C[5,5]OO)(O){1|O<2>,4|C<3>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O)(OC)2{1|C<4>,4|C<3>}	C[5](C[5]C[5,5]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){2|H<1>,3|O<2>,5|C<3>}	109.2310	0.000	1	109.2310	0.000	1	109.2310	0.000	1	109.2310	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	4:3:3:1:	3:3:3:	C[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[5]C[5]CH)(H)	C[5](C[5]N[5]HH)(C[5]C[5]H)(CCC)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S)	C[5](C[5]C[6a]N[5])(C[5]C[5]CH)(H){1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]H)(CCC)(H){1|C<3>,1|S<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S){3|C<3>,5|H<1>}	113.0290	0.000	1	113.0290	0.000	1	113.0290	0.000	1	113.0290	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	4:3:3:1:	3:4:3:	C[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(CCO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(H){1|C<2>,1|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(CCO)(H){1|C<2>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H){4|C<3>,4|H<1>}	113.6370	0.000	1	113.6370	0.000	1	112.6970	1.767	2	112.6970	1.767	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	4:3:3:1:	3:4:3:	C[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(CC[6a]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(CC[6a]O)(H){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H){4|C<3>,4|H<1>}	111.7570	0.000	1	111.7570	0.000	1	112.6970	1.767	2	112.6970	1.767	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	4:3:3:1:	4:3:3:	C[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5](C[5]C[5,5]C)(C[5]C[5]CH)(O)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(CCC)(H)	C[5](C[5,5]C[5]3)(C[5]C[5]O)(CC[6a]H)	C[5](C[5]C[5,5]C)(C[5]C[5]CH)(O){1|H<1>,3|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(CCC)(H){5|C<3>}	C[5](C[5,5]C[5]3)(C[5]C[5]O)(CC[6a]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	108.9680	0.000	1	108.9680	0.000	1	108.9680	0.000	1	108.9680	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	4:3:3:2:	4:3:3:	C[5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-3:C-3:O-2:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]CO)(H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]H)(COO)(OH)	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]CO)(H){1|S<2>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]H)(COO)(OH){1|N<3>,1|O<1>,1|S<2>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]C[5]H){1|O<1>,1|O<2>,2|H<1>,7|C<3>}	113.3600	0.362	2	113.3600	0.131	2	113.3600	0.131	2	113.3600	0.131	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	4:3:3:3:	3:4:3:	C[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:C-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(COO)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(COO)2{1|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H){3|H<1>,5|C<3>}	112.5060	0.000	1	112.5060	0.000	1	112.5060	0.000	1	112.5060	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	4:3:4:1:	3:3:3:	C[5]-3:C[5]-4:O-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]CH)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CCHH)(H)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]CH)(O){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]O){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	108.2080	0.000	1	108.2080	0.000	1	108.2080	0.000	1	107.5827	2.802	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	4:3:4:1:	3:3:3:	C[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5]C[5]N[5])(C[5]C[5]CH)(O)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]O)(CH3)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(N[5]C[5]2)	C[5](C[5]C[5]N[5])(C[5]C[5]CH)(O){2|C<4>,3|C<3>}	C[5](C[5]C[6a]C[5]C)(C[5]C[5]O)(CH3)(H){1|N<3>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(N[5]C[5]2){1|O<1>,1|O<2>,2|H<1>,3|C<3>,4|C<4>}	105.6860	0.000	1	105.6860	0.000	1	105.6860	0.000	1	107.5827	2.802	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	4:3:4:1:	3:3:3:	C[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(O){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(H){1|N<3>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]C[5]O){1|C<4>,3|C<3>,4|H<1>}	108.8540	0.000	1	108.8540	0.000	1	108.8540	0.000	1	107.5827	2.802	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	4:3:4:1:	4:3:3:	C[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[6]-4:C[5]-3:C[5]-3:	C[5](C[5]C[5]C[6])(C[5]C[5]CH)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)(H)	C[5](C[6]C[6]2H)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[5]C[6])(C[5]C[5]CH)(O){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)(H){1|C<3>,1|C<4>}	C[5](C[6]C[6]2H)(C[5]C[5]C)(C[5]C[5]O){2|C<3>,3|C<4>,4|H<1>}	108.5140	0.000	1	108.5140	0.000	1	108.5140	0.000	1	108.5140	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	4:3:4:1:	4:4:3:	C[5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:C[6]-4:C[5]-3:	C[5](C[5]C[5,5]C[6])(C[5]C[5,5]CH)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(CH3)(H)	C[5](C[5,5]C[5,5]O[5]C)(C[6]C[6]2O)(C[5]C[5]H)	C[5](C[5]C[5,5]C[6])(C[5]C[5,5]CH)(H){1|H<1>,3|C<4>,3|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(CH3)(H){1|O<2>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]C)(C[6]C[6]2O)(C[5]C[5]H){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	114.0710	0.000	1	114.0710	0.000	1	114.0710	0.000	1	114.0710	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	4:3:4:2:	4:4:3:	C[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[6]-4:C[5]-3:	C[5](C[5]C[5]C[6])(C[5]C[5]CO)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CH3)(OH)	C[5](C[5]C[5]CO)(C[6]C[6]2O)(C[5]C[5]H)	C[5](C[5]C[5]C[6])(C[5]C[5]CO)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>}	C[5](C[5]C[5]CO)(C[6]C[6]2O)(C[5]C[5]H){1|O<2>,4|H<1>,5|C<4>}	114.4300	0.000	1	114.4300	0.000	1	114.4300	0.000	1	114.4300	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	4:3:4:4:	3:3:3:	C[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(H)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]H)(CN[5]HH)(CH3)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(H){1|O<1>,1|O<2>,3|C<3>}	C[5](C[5]C[6a]C[5]O)(C[5]C[5]H)(CN[5]HH)(CH3){1|O<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]C[5]O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	114.8550	0.000	1	114.8550	0.000	1	114.8550	0.000	1	110.6200	35.870	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	4:3:4:4:	3:3:3:	C[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5]C[5]N[5])(C[5]C[5]CC)(O)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]O)(CCHH)2	C[5](C[5]C[5]C)(C[5]C[5]O)(N[5]C[5]2)	C[5](C[5]C[5]N[5])(C[5]C[5]CC)(O){2|C<3>,3|C<4>}	C[5](C[5]C[6a]C[5]C)(C[5]C[5]O)(CCHH)2{1|C<4>,1|N<3>,2|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]O)(N[5]C[5]2){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	106.3850	0.000	1	106.3850	0.000	1	106.3850	0.000	1	110.6200	35.870	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	4:3:4:4:	4:3:1:	C[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]H)(C[5]C[5]CC)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5]H)(CCHH)(CHHO)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]H)(H)	C[5](C[5]C[5,5]H)(C[5]C[5]CC)(H){2|H<1>,2|O<2>}	C[5](C[5]C[5,5]HH)(C[5]C[5]H)(CCHH)(CHHO){1|H<1>,2|O<2>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]H)(H){2|H<1>,4|C<4>}	113.5100	0.000	1	113.5100	0.000	1	113.5100	0.000	1	113.5100	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	4:3:4:4:	4:4:3:	C[5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-3:C-4:C-4:	C[5,5]-4:C[3]-4:C[5]-3:	C[5](C[5]C[5,5]C[3])(C[5]C[5,5]CC)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]H)(CHHN)(CH3)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[3]C[3]2H)(C[5]C[5]H)	C[5](C[5]C[5,5]C[3])(C[5]C[5,5]CC)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]H)(CHHN)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[3]C[3]2H)(C[5]C[5]H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	112.0985	0.476	2	112.0985	0.226	2	112.0985	0.226	2	112.0985	0.226	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:1:	4:4:3:1:	3:4:3:	C[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]2H)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]2H)(H){2|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]H)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H){1|C<4>,2|C<3>,5|H<1>}	114.0050	0.000	1	114.0050	0.000	1	114.0050	0.000	1	114.0050	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:2:	3:2:1:1:	3:3:3:	C[5]-3:C[5]-4:N-2:	C[5]-3:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(NC[6a])	C[5](C[5]C[5]N)(O[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]O[5]O)	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(NC[6a]){1|O<1>,2|C<3>}	C[5](C[5]C[5]N)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]O[5]O){2|C<3>,4|H<1>}	108.7035	0.023	2	108.7035	0.001	2	108.7035	0.001	2	109.4718	0.803	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:2:	3:2:1:1:	3:3:3:	C[5]-3:C[5]-4:O-2:	C[5]-3:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(OH)	C[5](C[5]C[5]O)(O[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O)	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(OH){1|O<1>,2|C<3>}	C[5](C[5]C[5]O)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O){1|Cl<1>,2|C<3>,3|H<1>}	110.0850	0.000	1	110.2400	0.048	2	110.2400	0.048	2	109.4718	0.803	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:2:	3:2:1:1:	3:3:3:	C[5]-3:C[5]-4:O-2:	C[5]-3:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(OH)	C[5](C[5]C[5]O)(O[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O)	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(OH){1|O<1>,2|C<3>}	C[5](C[5]C[5]O)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O){2|C<3>,4|H<1>}	110.3950	0.000	1	110.2400	0.048	2	110.2400	0.048	2	109.4718	0.803	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:2:	3:2:4:1:	3:3:3:	C[5]-3:C[5]-4:O-2:	C[5]-3:O[5]-2:C-4:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]O[5]CH)(OC)	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O)	C[5](C[5]C[6a]C[5])(C[5]O[5]CH)(OC){1|O<1>,2|C<3>}	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(H){1|C<3>,1|O<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O){1|C<4>,2|C<3>,3|H<1>}	112.3330	0.000	1	112.3330	0.000	1	112.3330	0.000	1	112.3330	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:2:	3:2:4:4:	3:3:3:	C[5]-3:C[5]-4:C-2:	C[5]-3:O[5]-2:C-4:C-4:	C[6a]-3:B[5]-3:C[5]-3:	C[5](C[5]C[6a]B[5])(C[5]O[5]CC)(CC)	C[5](C[5]C[5]C)(O[5]B[5])(CH3)2	C[5](C[6a]C[6a]2)(B[5]O[5]O)(C[5]C[5]C)	C[5](C[5]C[6a]B[5])(C[5]O[5]CC)(CC){1|O<2>,2|C<3>}	C[5](C[5]C[5]C)(O[5]B[5])(CH3)2{1|C<3>,1|O<2>}	C[5](C[6a]C[6a]2)(B[5]O[5]O)(C[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	112.9090	0.000	1	112.9090	0.000	1	112.9090	0.000	1	112.1697	0.666	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:2:	3:2:4:4:	3:3:3:	C[5]-3:C[5]-4:O-2:	C[5]-3:O[5]-2:C-4:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]O[5]CC)(OC)	C[5](C[5]C[5]O)(O[5]C[5])(CH3)2	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O)	C[5](C[5]C[6a]C[5])(C[5]O[5]CC)(OC){1|O<1>,2|C<3>}	C[5](C[5]C[5]O)(O[5]C[5])(CH3)2{1|C<3>,1|O<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O){1|H<1>,2|C<3>,3|C<4>}	112.3060	0.000	1	112.3060	0.000	1	111.8000	0.512	2	112.1697	0.666	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:2:	3:2:4:4:	3:3:3:	C[5]-3:C[5]-4:O-2:	C[5]-3:O[5]-2:C-4:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]O[5]CC)(OH)	C[5](C[5]C[5]O)(O[5]C[5])(CH3)2	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O)	C[5](C[5]C[6a]C[5])(C[5]O[5]CC)(OH){1|O<1>,2|C<3>}	C[5](C[5]C[5]O)(O[5]C[5])(CH3)2{1|C<3>,1|O<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O){2|C<3>,2|C<4>,2|H<1>}	111.2940	0.000	1	111.2940	0.000	1	111.8000	0.512	2	112.1697	0.666	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:2:	4:3:1:1:	3:3:2:	C[5]-3:C[5]-4:C-2:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:O[5]-2:	C[5](C[5]C[6a]O[5])(C[5]C[5]HH)(CN)	C[5](C[5]O[5]CO)(C[5]C[5]C)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])	C[5](C[5]C[6a]O[5])(C[5]C[5]HH)(CN){1|C<4>,1|O<2>,2|C<3>}	C[5](C[5]O[5]CO)(C[5]C[5]C)(H)2{1|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	110.5820	0.000	1	110.5820	0.000	1	110.5820	0.000	1	110.1995	0.293	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:2:	4:3:1:1:	3:3:2:	C[5]-3:C[5]-4:S-2:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:O[5]-2:	C[5](C[5]C[6a]O[5])(C[5]C[5]HH)(SC)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]S)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]S)(O[5]C[5])	C[5](C[5]C[6a]O[5])(C[5]C[5]HH)(SC){1|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]S)(H)2{3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]S)(O[5]C[5]){3|C<3>,5|H<1>}	109.8170	0.000	1	109.8170	0.000	1	109.8170	0.000	1	110.1995	0.293	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:2:	4:3:1:1:	3:3:3:	C[5]-3:C[5]-4:S-2:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(SC)	C[5](C[5]C[5]FF)(C[5]C[5]S)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]C[5]S)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(SC){1|O<1>,2|C<3>,2|F<1>}	C[5](C[5]C[5]FF)(C[5]C[5]S)(H)2{1|C<3>,1|O<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]C[5]S){2|C<3>,2|F<1>,4|H<1>}	113.6300	0.000	1	113.6300	0.000	1	113.6300	0.000	1	112.9200	1.008	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:2:	4:3:1:1:	3:3:3:	C[5]-3:C[5]-4:S-2:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(SC[6a])	C[5](C[5]C[6a]N[5]H)(C[5]C[5]S)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]S)(N[5]C[5]S)	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(SC[6a]){1|H<1>,1|S<4>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]S)(H)2{1|S<4>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]S)(N[5]C[5]S){3|C<3>,5|H<1>}	112.2100	0.000	1	112.2100	0.000	1	112.2100	0.000	1	112.9200	1.008	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:2:	4:3:2:1:	4:3:1:	C[5]-3:C[5]-4:O-2:	C[5]-4:C[5]-3:O-2:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]H)(C[5]C[5]HO)(OC)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(OC)(H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]O)(H)	C[5](C[5]C[5,5]H)(C[5]C[5]HO)(OC){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(OC)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,5]C[5]2N[5])(C[5]C[5]O)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	113.6530	0.253	2	113.6530	0.064	2	113.6530	0.064	2	113.6530	0.064	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:2:	4:4:3:4:	3:4:3:	C[5]-3:C[5]-4:O-2:	C[5]-4:C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]2C)(OC)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]O)(CH3)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(C[5]C[5]2C)(OC){1|O<2>,3|C<3>,5|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]O)(CH3){3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O){2|C<3>,2|C<4>,4|H<1>}	114.1360	0.000	1	114.1360	0.000	1	114.1360	0.000	1	114.1360	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	2:3:2:2:	4:3:3:	C[5]-3:C[5]-4:C-3:	O[5]-2:C[5]-3:O-2:O-2:	C[5,5]-4:C[5]-3:C-3:	C[5](C[5]C[5,5]C)(C[5]O[5]OO)(COO)	C[5](O[5]C[5,5])(C[5]C[5]C)(OC)2	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(COO)	C[5](C[5]C[5,5]C)(C[5]O[5]OO)(COO){1|C<3>,1|C<4>}	C[5](O[5]C[5,5])(C[5]C[5]C)(OC)2{1|C<4>,2|C<3>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(COO){3|C<3>,4|O<2>}	110.0460	0.000	1	110.0460	0.000	1	110.0460	0.000	1	110.0460	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	2:4:3:4:	4:3:1:	C[5]-3:C[5]-4:C-3:	O[5]-2:C-4:C[5]-3:C-4:	C[5,6]-4:C[5]-3:O-1:	C[5](C[5]C[5,6]O)(C[5]O[5]CC)(CCH)	C[5](O[5]C[5,6])(CC[5,5]HH)(C[5]C[5]C)(CCHH)	C[5](C[5,6]C[5,6]O[5]O[6])(C[5]C[5]C)(O)	C[5](C[5]C[5,6]O)(C[5]O[5]CC)(CCH){1|C<4>,1|O<2>}	C[5](O[5]C[5,6])(CC[5,5]HH)(C[5]C[5]C)(CCHH){1|C<4>,1|O<1>,1|O<2>}	C[5](C[5,6]C[5,6]O[5]O[6])(C[5]C[5]C)(O){1|H<1>,5|C<4>}	107.2860	0.000	1	107.2860	0.000	1	107.2860	0.000	1	107.2860	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:2:1:1:	3:3:2:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-3:C[5]-3:O-2:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(O[5]C[5])(H)2	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(OH)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(H)2{1|O<1>,1|O<2>,2|C<3>}	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(OH){2|C<3>,2|H<1>}	107.1510	0.953	6	107.1510	0.908	6	107.1510	0.908	6	107.1510	0.908	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:2:1:1:	3:3:3:	C[5]-3:C[5]-4:C-3:	C[5]-3:O[5]-2:H-1:H-1:	C[6]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5]C[6])(C[5]O[5]HH)(CC[6a]H)	C[5](C[5]C[5]C)(O[5]C[5])(H)2	C[5](C[6]C[6,6a]C[6])(C[5]C[5]C)(C[5]O[5]O)	C[5](C[5]C[5]C[6])(C[5]O[5]HH)(CC[6a]H){1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	C[5](C[6]C[6,6a]C[6])(C[5]C[5]C)(C[5]O[5]O){1|C<4>,2|C<3>,4|H<1>}	106.2890	0.000	1	106.2890	0.000	1	106.2890	0.000	1	107.7725	5.008	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:2:1:1:	3:3:3:	C[5]-3:C[5]-4:N-3:	C[5]-3:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(NC[6a]H)	C[5](C[5]C[5]N)(O[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]O[5]O)	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(NC[6a]H){1|O<1>,2|C<3>}	C[5](C[5]C[5]N)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]O[5]O){2|C<3>,4|H<1>}	109.2152	0.173	4	109.2152	0.030	4	109.3378	0.098	5	107.7725	5.008	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:2:1:1:	3:3:3:	C[5]-3:C[5]-4:N-3:	C[5]-3:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(NHN)	C[5](C[5]C[5]N)(O[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]O[5]O)	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(NHN){1|O<1>,2|C<3>}	C[5](C[5]C[5]N)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]O[5]O){2|C<3>,4|H<1>}	109.8280	0.000	1	109.8280	0.000	1	109.3378	0.098	5	107.7725	5.008	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:2:1:1:	3:3:3:	C[6]-3:C[5]-4:C[5]-3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[6]C[6,6a]C[6])(C[5]O[5]HH)(C[5]C[5]C)	C[5](C[5]C[5]C[6])(O[5]C[5])(H)2	C[5](C[5]C[5]C[6])(C[5]O[5]O)(CCH)	C[5](C[6]C[6,6a]C[6])(C[5]O[5]HH)(C[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]C[6])(O[5]C[5])(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5](C[5]C[5]C[6])(C[5]O[5]O)(CCH){1|C<3>,1|C<4>,2|H<1>}	104.3780	0.000	1	104.3780	0.000	1	104.6010	0.099	2	107.7725	5.008	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:2:1:1:	3:3:3:	C[6]-3:C[5]-4:C[5]-3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[6]C[6,6a]C[6])(C[5]O[5]HH)(C[5]C[5]C)	C[5](C[5]C[5]C[6])(O[5]C[5])(H)2	C[5](C[5]C[5]C[6])(C[5]O[5]O)(CC[6a]H)	C[5](C[6]C[6,6a]C[6])(C[5]O[5]HH)(C[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]C[6])(O[5]C[5])(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5](C[5]C[5]C[6])(C[5]O[5]O)(CC[6a]H){1|C<3>,1|C<4>,2|H<1>}	104.8240	0.000	1	104.8240	0.000	1	104.6010	0.099	2	107.7725	5.008	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:2:1:1:	3:4:1:	N[6a]-3:C[5]-4:C[5]-3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5](N[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]H)	C[5](C[5]N[6a]C[5])(O[5]C[5])(H)2	C[5](C[5]N[6a]C[5])(C[5]O[5]CH)(H)	C[5](N[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[5](C[5]N[6a]C[5])(O[5]C[5])(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[6a]C[5])(C[5]O[5]CH)(H){2|C<3>,2|H<1>}	110.7400	0.079	2	110.7400	0.006	2	110.7400	0.006	2	110.7400	0.006	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:2:1:1:	3:4:3:	C[5]-3:C[5]-4:C-3:	C[5]-3:S[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]S[5]HH)(COO)	C[5](C[5]C[5]C)(S[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[5]S[5]HH)(COO){2|C<3>,2|H<1>}	C[5](C[5]C[5]C)(S[5]C[5])(H)2{1|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(C[5]C[5]C){1|O<2>,2|C<3>,3|H<1>}	116.4890	0.000	1	116.4890	0.000	1	116.4890	0.000	1	116.0835	0.329	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:2:1:1:	3:4:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-3:C[5]-4:C-3:	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(S[5]C[5])(H)2	C[5](C[5]C[6a]C[5])(C[5]S[5]HH)(COO)	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(C[5]C[5]C){1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(S[5]C[5])(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]S[5]HH)(COO){2|C<3>,2|H<1>}	115.6780	0.000	1	115.6780	0.000	1	115.6780	0.000	1	116.0835	0.329	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:2:1:1:	4:3:1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(O[5]C[5])(H)2	C[5](C[5]C[6a]O[5]H)(C[5]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(C[5]C[6a]C[5])(H){2|H<1>,4|C<3>}	108.9770	0.000	1	108.9770	0.000	1	108.9770	0.000	1	108.9770	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:2:2:2:	4:3:1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:O[5]-2:C-2:C-2:	C[5]-4:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(O[5]C[5])(CN)2	C[5](C[5]C[6a]O[5]H)(C[5]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(CN)2{2|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(C[5]C[6a]C[5])(H){2|C<2>,4|C<3>}	106.8715	0.301	4	106.8715	0.091	4	106.8715	0.091	4	106.8715	0.091	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:2:3:3:	3:3:1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:O[5]-2:C-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(O[5]C[5])(CCH)(COO)	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(H)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(CCH)(COO){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(H){4|C<3>}	107.9620	0.000	1	107.9620	0.000	1	107.9620	0.000	1	107.9620	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:2:3:3:	4:3:1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:O[5]-2:C-3:C-3:	C[5]-4:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(O[5]C[5])(CC[6a]O)2	C[5](C[5]C[6a]O[5]H)(C[5]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(CC[6a]O)2{2|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(C[5]C[6a]C[5])(H){6|C<3>}	106.8000	0.358	2	106.8000	0.128	2	106.8000	0.128	2	106.8000	0.128	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:2:4:2:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-3:C[5]-3:C-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CO)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(O[5]C[5])(CH3)(OC)	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(CH3)	C[5](C[6a]C[6a]2)(C[5]O[5]CO)(C[5]C[5]C){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(CH3)(OC){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(CH3){1|C<4>,1|O<2>,2|C<3>}	109.2150	0.000	1	109.2150	0.000	1	109.2150	0.000	1	109.2150	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:2:4:4:	3:3:1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(O[5]C[5])(CCHH)(CH3)	C[5](C[5]C[6a]C[5])(C[5]O[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(CCHH)(CH3){1|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]O[5]C)(H){2|C<3>,2|C<4>}	108.7640	0.000	1	108.7640	0.000	1	108.7640	0.000	1	108.7640	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:2:4:4:	3:3:2:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-3:C[5]-3:C-2:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(O[5]C[5])(CH3)2	C[5](C[5]C[6a]C[5])(C[5]O[5]C)(CN)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]C){2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(CH3)2{1|C<2>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]O[5]C)(CN){2|C<3>,2|C<4>}	107.2505	0.118	2	107.2505	0.014	2	107.2505	0.014	2	107.2505	0.014	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6a]O){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O){1|C<4>,3|C<3>,3|H<1>}	108.3667	0.278	4	108.3667	0.077	4	108.3667	0.077	4	108.1704	0.415	26	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:H-1:	N[5]-3:C[5]-3:O-1:	C[5](C[5]C[5]O[5])(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5]C[5]2)(C[5]N[5]O)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]2)(O)	C[5](C[5]C[5]O[5])(C[5]C[5]HH)(C[5]N[5]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5]2)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[5](N[5]C[6a]C[5])(C[5]C[5]2)(O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	108.7530	0.000	1	108.7530	0.000	1	108.7530	0.000	1	108.1704	0.415	26	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:3:1:1:	3:3:1:	C[6]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[6]C[5,6,6]C[6])(C[5]C[5,6a]HH)(C[5]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H)	C[5](C[6]C[5,6,6]C[6])(C[5]C[5,6a]HH)(C[5]C[5,6a]H){1|H<1>,2|C<3>,4|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H){1|C<4>,3|C<3>,3|H<1>}	108.4810	0.000	2	108.4810	0.000	2	108.4810	0.000	2	108.1704	0.415	26	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:3:1:1:	3:3:1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){2|H<1>,3|C<3>}	108.5110	0.000	1	108.5110	0.000	1	107.9072	0.092	17	108.1704	0.415	26	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:3:1:1:	3:3:1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)2	C[5](C[5]C[6a]C[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H){2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])2(H){2|H<1>,5|C<3>}	108.1620	0.000	1	108.1620	0.000	1	107.9072	0.092	17	108.1704	0.415	26	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:3:1:1:	3:3:1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])2(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H){1|H<1>,2|F<1>,3|C<3>}	C[5](C[5]C[6a]C[5])2(H)2{2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H){2|H<1>,3|C<3>}	107.7168	0.080	4	107.8262	0.033	6	107.9072	0.092	17	108.1704	0.415	26	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:3:1:1:	3:3:1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])2(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])2(H)2{2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H){2|H<1>,3|C<3>}	108.0450	0.020	2	107.8262	0.033	6	107.9072	0.092	17	108.1704	0.415	26	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:3:1:1:	3:3:1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])2(H)2	C[5](C[5]C[6a]C[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H){2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])2(H)2{1|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])2(H){2|H<1>,5|C<3>}	107.8659	0.321	9	107.8659	0.103	9	107.9072	0.092	17	108.1704	0.415	26	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|C<4>,3|C<3>,3|H<1>}	110.7770	0.000	1	110.7770	0.000	1	110.7770	0.000	1	108.1704	0.415	26	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:3:1:1:	3:3:1:	P[5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](P[5]C[5,5]P[5])(C[5]C[5,6a]HH)(C[5]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P[5])(H)	C[5](P[5]C[5,5]P[5])(C[5]C[5,6a]HH)(C[5]C[5,6a]H){1|C<4>,1|H<1>,1|P<3>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P[5])(H)2{1|C<4>,1|P<3>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P[5])(H){1|C<4>,1|P<3>,2|C<3>,3|H<1>}	108.0480	0.000	1	108.0480	0.000	1	108.0480	0.000	1	108.1704	0.415	26	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-4:C-3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(COO){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){4|C<3>,5|H<1>}	110.6220	0.000	1	110.6220	0.000	1	110.6220	0.000	1	110.1864	4.630	13	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-4:C-3:	C[5]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CC[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CC[5]H){1|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)2{1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){3|C<3>,4|H<1>}	107.9640	0.000	1	107.9640	0.000	1	107.9640	0.000	1	110.1864	4.630	13	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-4:C-3:	C[5]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]N[5]HH)(CC[6a]O)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5]C[6a]C[5])(C[5]N[5]HH)(CC[6a]O){1|O<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<3>,1|O<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O){1|S<4>,3|C<3>,3|H<1>}	111.5807	0.524	4	111.5807	0.275	4	111.5807	0.275	4	110.1864	4.630	13	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-4:C[6a]-3:	C[5,5]-3:C[5]-3:H-1:H-1:	C[5,5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(H)2	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<2>,5|C<3>,6|H<1>}	110.3130	0.000	1	110.3130	0.000	1	110.3130	0.000	1	110.1864	4.630	13	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-4:N-3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(NOO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]N)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(NOO){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H)2{1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]N){4|C<3>,5|H<1>}	113.5020	0.000	1	113.5020	0.000	1	113.5020	0.000	1	110.1864	4.630	13	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:P-3:	C[5](C[6a]C[6a,6a]2)(C[5]C[5,6a]HH)(C[5]C[5,6a]P)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(PC[6]2)	C[5](C[6a]C[6a,6a]2)(C[5]C[5,6a]HH)(C[5]C[5,6a]P){6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)2{1|H<1>,1|P<3>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(PC[6]2){3|H<1>,4|C<3>}	111.7030	0.000	1	111.7030	0.000	1	111.7030	0.000	1	110.1864	4.630	13	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])2(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C){2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])2(H)2{6|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCH){2|H<1>,3|C<3>}	107.4680	0.000	1	107.4680	0.000	1	107.6260	0.050	2	110.1864	4.630	13	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])2(H)2	C[5](C[5]C[6a]C[5])2(CC[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C){2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])2(H)2{6|C<3>}	C[5](C[5]C[6a]C[5])2(CC[6a]O){2|H<1>,5|C<3>}	107.7840	0.000	1	107.7840	0.000	1	107.6260	0.050	2	110.1864	4.630	13	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:N-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(NCH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)2{1|C<4>,1|N<3>,2|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(NCH){1|C<4>,2|C<3>,2|H<1>}	106.2780	0.000	1	106.2780	0.000	1	106.2780	0.000	1	110.1864	4.630	13	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:3:1:1:	3:3:3:	N[5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-3:	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CC[6a]C)	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6a]C){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CC[6a]C){1|C<4>,3|C<3>,3|H<1>}	110.4660	0.000	1	110.4660	0.000	1	110.4660	0.000	1	110.1864	4.630	13	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:3:1:1:	3:3:4:	C[5]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C[5]-4:	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]2H){1|O<1>,5|H<1>,6|C<3>}	109.7790	0.000	1	109.7790	0.000	1	109.7790	0.000	1	109.7790	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-4:C-3:	C[5]-3:C[5]-3:H-1:H-1:	C[3,5]-4:C[5]-3:H-1:	C[5](C[5]C[3,5]H)(C[5]C[5]HH)(CC[6a]C)	C[5](C[5]C[3,5]O)(C[5]C[5]C)(H)2	C[5](C[3,5]C[3]2C[5])(C[5]C[5]C)(H)	C[5](C[5]C[3,5]H)(C[5]C[5]HH)(CC[6a]C){1|O<1>,2|C<4>}	C[5](C[5]C[3,5]O)(C[5]C[5]C)(H)2{1|H<1>,2|C<4>}	C[5](C[3,5]C[3]2C[5])(C[5]C[5]C)(H){1|O<1>,6|H<1>}	110.6380	0.000	1	110.6380	0.000	1	110.6380	0.000	1	110.6380	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:3:1:1:	4:3:3:	C[5]-3:C[5]-4:C-3:	N[5]-3:C[5]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5](C[5]C[5,5]C[6a])(C[5]N[5]HH)(COO)	C[5](N[5]C[5,5]C)(C[5]C[5]C)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[5,5]C[6a])(C[5]N[5]HH)(COO){1|C<4>,4|C<3>}	C[5](N[5]C[5,5]C)(C[5]C[5]C)(H)2{3|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	111.4250	0.000	1	111.4250	0.000	1	111.4250	0.000	1	111.4250	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:3:1:1:	4:3:4:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(N[5]C[5]S)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])(CClHH)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]C){1|S<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(N[5]C[5]S)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])(CClHH){1|S<4>,2|H<1>,4|C<3>}	111.5320	0.000	1	111.5320	0.000	1	111.5320	0.000	1	111.5320	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:3:2:1:	3:3:1:	C[5a]-3:C[5]-4:C[5]-3:	C[5]-3:N[5]-3:O-2:H-1:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5a]C[5a]S[5a])(C[5]N[5]HO)(C[5]C[5]Cl)	C[5](C[5]C[5a]C[5])(N[5]C[5]C)(OC)(H)	C[5](C[5]C[5a]C[5])(C[5]N[5]O)(Cl)	C[5](C[5a]C[5a]S[5a])(C[5]N[5]HO)(C[5]C[5]Cl){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5a]C[5])(N[5]C[5]C)(OC)(H){1|Cl<1>,1|C<3>,1|O<1>,1|S<2>}	C[5](C[5]C[5a]C[5])(C[5]N[5]O)(Cl){1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|S<2>}	107.1140	0.000	1	107.1140	0.000	1	107.1140	0.000	1	107.2115	0.019	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:3:2:1:	3:3:1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:N[5]-3:O-2:H-1:	C[5]-3:C[5]-3:Cl-1:	C[5](C[6a]C[6a]2)(C[5]N[5]HO)(C[5]C[5]Cl)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(OC)(H)	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(Cl)	C[5](C[6a]C[6a]2)(C[5]N[5]HO)(C[5]C[5]Cl){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(OC)(H){1|Cl<1>,1|O<1>,2|C<3>}	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(Cl){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.3090	0.000	1	107.3090	0.000	1	107.3090	0.000	1	107.2115	0.019	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:3:3:1:	3:3:1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCO)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCO)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){1|H<1>,4|C<3>}	108.1950	3.729	2	108.1950	13.908	2	108.1950	13.908	2	108.1950	13.908	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:3:3:1:	3:3:3:	C[5]-3:C[5]-4:C-3:	C[5,5]-3:C[5]-3:C-3:H-1:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]CH)(CC[6a]O)	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[5]C)(CC[6a]O)(H)	C[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a,6a]C[6a])(C[5]C[5]C)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]CH)(CC[6a]O){4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[5]C)(CC[6a]O)(H){4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a,6a]C[6a])(C[5]C[5]C){2|H<1>,7|C<3>}	107.3750	0.000	1	107.3750	0.000	1	107.3750	0.000	1	109.6687	5.113	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:3:3:1:	3:3:3:	C[5]-3:C[5]-4:C-3:	C[5,6a]-3:C[5]-3:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HN)(CC[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NHS)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HN)(CC[6a]C){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NHS)(H){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|N<3>,4|C<3>,4|H<1>}	109.7350	0.000	1	109.7350	0.000	1	109.7350	0.000	1	109.6687	5.113	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:3:3:1:	3:3:3:	C[5]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:C-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(COO)(H){1|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){4|H<1>,7|C<3>}	111.8960	0.000	1	111.8960	0.000	1	111.8960	0.000	1	109.6687	5.113	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:3:3:1:	4:3:1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])(H)	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(C[5]C[5]H){1|S<4>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S)(H){1|N<2>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])(H){1|H<1>,1|N<2>,1|S<4>,4|C<3>}	111.8570	0.000	1	111.8570	0.000	1	111.8570	0.000	1	110.9050	1.813	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:3:3:1:	4:3:1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(N[5]C[5]S)(CC[6a]O)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]H){1|S<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(N[5]C[5]S)(CC[6a]O)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])(H){1|H<1>,1|S<4>,5|C<3>}	109.9530	0.000	1	109.9530	0.000	1	109.9530	0.000	1	110.9050	1.813	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:3:3:1:	4:3:2:	C[5]-3:C[5]-4:C-3:	C[5]-3:C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:S[5]-2:	C[5](C[5]C[5]S[5])(C[5]C[5]CH)(CCrO)	C[5](C[5]C[5]C)(C[5]S[5]C)(CCH)(H)	C[5](C[5]C[5]2Fe)(C[5]C[5]C)(S[5]C[5])	C[5](C[5]C[5]S[5])(C[5]C[5]CH)(CCrO){1|Fe<10>,1|C<3>,2|C<4>}	C[5](C[5]C[5]C)(C[5]S[5]C)(CCH)(H){1|C<4>}	C[5](C[5]C[5]2Fe)(C[5]C[5]C)(S[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	115.2920	0.000	1	115.2920	0.000	1	115.2920	0.000	1	115.2920	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:3:3:1:	4:3:3:	C[5]-3:C[5]-4:C-3:	C[6a]-3:N[5]-3:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5](C[5]C[5,5]C[6a])(C[5]C[6a]N[5]H)(CC[6a]O)	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]C)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[5,5]C[6a])(C[5]C[6a]N[5]H)(CC[6a]O){1|H<1>,6|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]C)(H){2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]C){1|N<3>,1|O<1>,4|H<1>,5|C<3>}	111.8527	0.573	3	111.8527	0.328	3	111.8527	0.328	3	111.8527	0.328	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:3:3:3:	3:3:2:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:N[5]-3:C-3:C-3:	C[5]-3:C[5]-3:C-2:	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(COO)2	C[5](C[5]C[6a]C[5])(C[5]N[5]N)(CN)	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]C[5]C){1|Br<1>,1|H<1>,1|N<3>,3|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(COO)2{1|C<2>,1|N<3>,2|C<3>}	C[5](C[5]C[6a]C[5])(C[5]N[5]N)(CN){5|C<3>}	100.2570	0.000	1	100.2570	0.000	1	100.2570	0.000	1	100.2570	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:3:3:3:	4:3:1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:N[5]-3:C-3:C-3:	C[5]-4:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(N[5]C[5]S)(COO)2	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]C[5]H){1|S<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(N[5]C[5]S)(COO)2{2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])(H){1|S<4>,6|C<3>}	109.2030	0.000	1	109.2030	0.000	1	109.2030	0.000	1	109.2030	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:3:3:3:	4:3:3:	C[5]-3:C[5]-4:C-3:	N[5]-3:C[5]-3:C-3:C-3:	C[5,5]-4:C[5]-3:C-3:	C[5](C[5]C[5,5]C)(C[5]N[5]CC)(COO)	C[5](N[5]C[5,5]C[6a])(C[5]C[5]C)(COO)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]C)(COO)	C[5](C[5]C[5,5]C)(C[5]N[5]CC)(COO){3|C<3>}	C[5](N[5]C[5,5]C[6a])(C[5]C[5]C)(COO)2{5|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]C)(COO){1|N<3>,1|O<1>,5|C<3>}	110.0610	0.000	1	110.0610	0.000	1	110.0610	0.000	1	110.0610	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:3:4:1:	3:3:1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])2(CCHH)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]H){1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])2(CCHH)(H){1|H<1>,1|O<2>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(H){1|C<4>,1|H<1>,3|C<3>}	108.8650	0.000	1	108.8650	0.000	1	108.8650	0.000	1	109.4920	1.560	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:3:4:1:	3:3:1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:P-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])2(PC3)(H)	C[5](C[5]C[6a]C[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(C[5]C[5]H){2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])2(PC3)(H){1|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])2(H){1|H<1>,1|P<4>,5|C<3>}	108.0450	0.000	1	108.0450	0.000	1	108.0450	0.000	1	109.4920	1.560	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:3:4:1:	3:3:1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(CCHO)(H)	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(CCHO)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(H){1|C<4>,1|H<1>,3|C<3>}	110.5290	0.204	2	110.5290	0.041	2	110.5290	0.041	2	109.4920	1.560	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:3:4:1:	3:3:2:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-3:C[5]-3:O-2:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])2(CCHH)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(OC)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])2(CCHH)(H){1|H<1>,1|O<2>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(OC){1|C<4>,1|H<1>,3|C<3>}	107.2080	0.000	1	107.2080	0.000	1	107.2080	0.000	1	107.2080	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:3:4:1:	3:3:3:	C[5]-3:C[5]-4:C-3:	N[5,5]-3:C[5]-3:C-4:H-1:	N[5,5]-3:C[6a]-3:C[5]-3:	C[5](C[5]N[5,5]C[6a])(C[5]N[5,5]CH)(CCrO)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]C)(CCrCH)(H)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]N[5,5]C[6a])(C[5]N[5,5]CH)(CCrO){1|C<4>,3|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]C)(CCrCH)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	109.4480	0.000	1	109.4480	0.000	1	109.4480	0.000	1	111.0092	1.496	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:3:4:1:	3:3:3:	C[5]-3:C[5]-4:C[6a]-3:	C[5,5a]-3:C[5]-3:C-4:H-1:	C[5,5a]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]CH)(C[6a]C[6a]2)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5])(CCHH)(H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]CH)(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5])(CCHH)(H){1|S<4>,5|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	111.2920	0.000	1	111.2920	0.000	1	111.2920	0.000	1	111.0092	1.496	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:3:4:1:	3:3:3:	C[5]-3:C[5]-4:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(N[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CCHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CCHH)(H){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(C[6a]C[6a]2){2|C<4>,4|H<1>,5|C<3>}	112.4080	0.000	1	112.4080	0.000	1	112.4080	0.000	1	111.0092	1.496	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:3:4:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(N[5]C[5]S)(CH3)(H)	C[5](C[5]C[6a]C[5])(C[5]N[5]C)(CCC)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]C){1|S<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[5]S)(CH3)(H){4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]N[5]C)(CCC){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	110.8890	0.000	1	110.8890	0.000	1	110.8890	0.000	1	111.0092	1.496	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:3:4:1:	3:4:3:	C[5]-3:C[5]-4:C[6a]-3:	Si[5]-3:C[5]-3:Si-4:H-1:	C[5]-3:C[5]-4:C[6a]-3:	C[5](C[5]C[6a]C[5])(C[5]Si[5]SiH)(C[6a]C[6a]2)	C[5](Si[5]C[6a]C[5])(C[5]C[6a]C[5])(SiC3)(H)	C[5](C[5]C[6a]C[5])(C[5]Si[5]SiH)(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[5]Si[5]SiH)(C[6a]C[6a]2){1|Si<4>,3|H<1>,5|C<3>}	C[5](Si[5]C[6a]C[5])(C[5]C[6a]C[5])(SiC3)(H){1|Si<4>,1|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[5]Si[5]SiH)(C[6a]C[6a]2){1|Si<4>,3|H<1>,5|C<3>}	118.7435	0.094	2	118.7435	0.009	2	118.7435	0.009	2	118.7435	0.009	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:3:4:2:	3:3:3:	C[5]-3:C[5]-4:C-3:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CO)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHN)(OC)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CO)(CCH){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHN)(OC){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	110.1280	0.000	1	110.1280	0.000	1	109.7970	0.219	2	109.2747	0.965	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:3:4:2:	3:3:3:	C[5]-3:C[5]-4:C-3:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CO)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]HN)(OC)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CO)(CCH){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]HN)(OC){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	109.4660	0.000	1	109.4660	0.000	1	109.7970	0.219	2	109.2747	0.965	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:3:4:2:	3:3:3:	C[5]-3:C[5]-4:C-3:	C[5]-3:C[5]-3:C-4:O-2:	C[6a]-3:C[5]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[5]C[5]CO)(COO)	C[5](C[5]C[5]C)(C[5]N[5]O)(CHHN)(OH)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C)	C[5](C[5]C[6a]N[5])(C[5]C[5]CO)(COO){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5]C[5]C)(C[5]N[5]O)(CHHN)(OH){1|C<3>,1|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	108.7525	1.259	2	108.7525	1.586	2	108.7525	1.586	2	109.2747	0.965	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:3:4:3:	3:3:1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:C-4:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CCHH)(COO)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H){2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CCHH)(COO){2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H){1|C<4>,1|H<1>,3|C<3>}	108.3050	0.000	1	108.3050	0.000	1	108.3050	0.000	1	108.3050	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:3:4:3:	3:3:3:	C[5]-3:C[5]-4:C-3:	C[5]-3:C[5]-3:C-4:C-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(CCH)	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3)(CCO)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(CCH){1|H<1>,3|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3)(CCO){2|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,3|H<1>,5|C<3>}	109.5430	0.000	1	109.5430	0.000	1	109.5430	0.000	1	110.6715	2.547	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:3:4:3:	3:3:3:	C[5]-3:C[5]-4:C-3:	C[5]-3:N[5]-3:C-4:C-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]N[5]CC)(COO)	C[5](C[5]C[5]C)(N[5]C[5]C)(CC[6a]HH)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]C)	C[5](C[5]C[6a]C[5])(C[5]N[5]CC)(COO){1|C<4>,3|C<3>}	C[5](C[5]C[5]C)(N[5]C[5]C)(CC[6a]HH)(COO){2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]C){2|C<4>,2|H<1>,3|C<3>}	111.8000	0.000	1	111.8000	0.000	1	111.8000	0.000	1	110.6715	2.547	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:3:4:3:	3:4:2:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:C-4:C-3:	C[5]-3:C-4:O[5]-2:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]O[5]C)	C[5](C[5]C[6a]C[5])(C[5]O[5]C)(CH3)(CCO)	C[5](C[5]C[6a]C[5])(CC[6a]2H)(O[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]O[5]C){2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]O[5]C)(CH3)(CCO){1|C<4>,2|C<3>}	C[5](C[5]C[6a]C[5])(CC[6a]2H)(O[5]C[5]){1|C<4>,4|C<3>}	108.7620	0.000	1	108.7620	0.000	1	108.7620	0.000	1	108.7620	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:3:4:4:	3:3:1:	C[5a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5a]C[5a]O[5a])(C[5]C[5]CC)(C[5]C[5]H)	C[5](C[5]C[5a]C[5])2(CH3)2	C[5](C[5]C[5a]C[5])(C[5]C[5]H)(H)	C[5](C[5a]C[5a]O[5a])(C[5]C[5]CC)(C[5]C[5]H){2|H<1>,3|C<3>}	C[5](C[5]C[5a]C[5])2(CH3)2{2|C<3>,2|H<1>,2|O<2>}	C[5](C[5]C[5a]C[5])(C[5]C[5]H)(H){1|O<2>,2|C<3>,2|C<4>}	109.6933	0.224	4	109.6933	0.050	4	109.6933	0.050	4	109.3622	0.297	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:3:4:4:	3:3:1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])2(CH3)2	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])2(CH3)2{2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H){2|C<4>,3|C<3>}	108.7000	0.137	2	108.7000	0.019	2	108.7000	0.019	2	109.3622	0.297	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:3:4:4:	3:3:3:	C[5]-3:C[5]-4:C-3:	C[5]-3:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[5]C[5]CC)(COO)	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]HH)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C)	C[5](C[5]C[6a]N[5])(C[5]C[5]CC)(COO){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]HH)2{1|C<3>,1|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	109.7560	0.000	1	109.7560	0.000	1	109.7560	0.000	1	109.5020	0.100	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:3:4:4:	3:3:3:	C[5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[5]C[5]2){1|H<1>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CH3)2{1|C<4>,1|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2){3|C<4>,3|H<1>,5|C<3>}	109.6030	0.000	1	109.3750	0.104	2	109.3750	0.104	2	109.5020	0.100	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:3:4:4:	3:3:3:	C[5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[5]C[5]2){2|C<4>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CH3)2{1|C<4>,1|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2){3|C<4>,3|H<1>,5|C<3>}	109.1470	0.000	1	109.3750	0.104	2	109.3750	0.104	2	109.5020	0.100	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:3:4:4:	3:4:3:	C[5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-3:C[5]-4:C[5]-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CH3)2	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[5]C[5]2)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[5]C[5]2){2|C<4>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CH3)2{1|C<4>,1|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[5]C[5]2){2|C<4>,7|C<3>}	125.9740	0.000	1	125.9740	0.000	1	125.9740	0.000	1	125.9740	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:4:1:1:	3:3:1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(H){2|C<3>,4|H<1>}	111.6670	0.000	1	111.6670	0.000	1	111.6670	0.000	1	111.6670	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:4:1:1:	3:3:3:	C[5]-3:C[5]-4:C[6a]-3:	C[5]-3:C[5,5]-4:H-1:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]2){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(H)2{1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	112.4330	0.000	1	112.4330	0.000	1	112.4330	0.000	1	111.2447	1.116	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C){1|C<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(H)2{4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(COO){1|C<2>,2|H<1>,3|C<3>}	110.4130	0.000	1	110.4130	0.000	1	110.6505	0.113	2	111.2447	1.116	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CC[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2{4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CC[6a]O){2|C<3>,4|H<1>}	110.8880	0.000	1	110.8880	0.000	1	110.6505	0.113	2	111.2447	1.116	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:4:1:1:	3:3:4:	C[5a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:F-1:F-1:	C[5]-3:C[5]-3:C[5]-4:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]FF)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5](C[5]C[5a]C[5])(C[5]C[5]S[5])(C[5]C[5]FF)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]FF)(C[5]C[5]2){1|C<4>,2|C<3>,2|S<2>,4|F<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{1|N<2>,2|C<3>,2|F<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]S[5])(C[5]C[5]FF){1|C<4>,1|N<2>,1|S<2>,2|C<3>,4|F<1>}	109.5400	0.000	1	109.3990	0.040	2	109.3990	0.040	2	109.9145	0.437	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:4:1:1:	3:3:4:	C[5a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:F-1:F-1:	C[5]-3:C[5]-3:C[5]-4:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]FF)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5](C[5]C[5a]C[5])(C[5]C[5]S[5])(C[5]C[5]FF)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]FF)(C[5]C[5]2){1|O<2>,2|C<3>,2|S<2>,4|F<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{1|N<2>,2|C<3>,2|F<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]S[5])(C[5]C[5]FF){1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|F<1>}	109.2580	0.000	1	109.3990	0.040	2	109.3990	0.040	2	109.9145	0.437	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:4:1:1:	3:3:4:	C[5a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-3:C[5]-4:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5a]C[5])(C[5]C[5]N[5])(C[5]C[5]HH)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]C[5]2){1|N<2>,3|C<3>,6|H<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]N[5])(C[5]C[5]HH){1|N<3>,3|C<3>,5|H<1>}	110.4300	0.455	2	110.4300	0.207	2	110.4300	0.207	2	109.9145	0.437	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:4:1:1:	3:4:1:	C[5a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]C[5]H){1|C<3>,1|N<2>,1|O<2>,5|H<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H){1|C<3>,1|N<3>,4|H<1>}	111.8095	0.199	2	111.8095	0.039	2	111.8095	0.039	2	110.5738	1.495	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:4:1:1:	3:4:1:	C[6]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:O-1:	C[5](C[6]C[6]S[6])(C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(O)	C[5](C[6]C[6]S[6])(C[5]C[5]HH)(C[5]C[5]O){1|C<3>,1|C<4>,1|S<2>,5|H<1>}	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,1|S<2>,2|H<1>}	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(O){1|C<4>,1|S<2>,4|H<1>}	108.5620	0.000	1	108.5620	0.000	1	108.5620	0.000	1	110.5738	1.495	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:4:1:1:	3:4:1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]2H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]2H)(H){2|C<3>,2|C<4>,5|H<1>}	110.0210	0.000	1	110.0210	0.000	1	110.4207	0.133	3	110.5738	1.495	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:4:1:1:	3:4:1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H){2|C<3>,6|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H){2|C<3>,4|H<1>}	110.6205	0.161	2	110.6205	0.026	2	110.4207	0.133	3	110.5738	1.495	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:4:1:1:	3:4:2:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:O-2:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]2C)(OC)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,2|C<4>}	C[5](C[5]C[6a]C[5])(C[5]C[5]2C)(OC){1|O<2>,3|C<3>,5|H<1>}	109.5680	0.000	1	109.5680	0.000	1	109.5680	0.000	1	109.5680	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:4:1:1:	3:4:3:	C[6]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-3:	C[5](C[6]C[6]S[6])(C[5]C[5]HH)(C[5]C[5]C)	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CC[6a]H)	C[5](C[6]C[6]S[6])(C[5]C[5]HH)(C[5]C[5]C){1|C<3>,1|C<4>,6|H<1>}	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CC[6a]H){1|C<4>,1|S<2>,4|H<1>}	108.7330	0.000	1	108.7330	0.000	1	108.7330	0.000	1	109.9310	2.801	9	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:4:1:1:	3:4:3:	C[6]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C[5]-3:	C[5](C[6]C[6]S[6])(C[5]C[5]HH)(C[5]C[5]2)	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(C[5]C[5]2)	C[5](C[6]C[6]S[6])(C[5]C[5]HH)(C[5]C[5]2){2|C<3>,2|C<4>,6|H<1>}	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(C[5]C[5]2){1|C<3>,1|S<2>,3|C<4>,6|H<1>}	107.5420	0.000	1	107.5420	0.000	1	107.5420	0.000	1	109.9310	2.801	9	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:4:1:1:	3:4:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C){3|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]O){2|C<3>,4|H<1>}	109.5240	0.129	2	109.5240	0.017	2	109.5240	0.017	2	109.9310	2.801	9	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:4:1:1:	3:4:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:N-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(NCS)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(NCS){2|C<3>,4|H<1>}	109.9440	0.000	1	109.9440	0.000	1	109.6993	0.045	3	109.9310	2.801	9	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:4:1:1:	3:4:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:N-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]HO)(NCS)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N){1|O<2>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HO)(NCS){2|C<3>,4|H<1>}	109.5660	0.000	1	109.5660	0.000	1	109.6993	0.045	3	109.9310	2.801	9	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:4:1:1:	3:4:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:N-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]HS)(NCS)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N){1|S<2>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HS)(NCS){2|C<3>,4|H<1>}	109.5880	0.000	1	109.5880	0.000	1	109.6993	0.045	3	109.9310	2.801	9	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:4:1:1:	3:4:3:	N[5]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-3:	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HH)(C[5]C[5]C)	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(CCC)	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HH)(C[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,6|H<1>}	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(CCC){1|C<3>,1|C<4>,4|H<1>}	113.3950	0.000	1	113.3950	0.000	1	112.4790	1.678	2	109.9310	2.801	9	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:4:1:1:	3:4:3:	N[5]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-3:	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HH)(C[5]C[5]C)	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(CC[6a]C)	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HH)(C[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,6|H<1>}	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(CC[6a]C){1|C<3>,1|C<4>,4|H<1>}	111.5630	0.000	1	111.5630	0.000	1	112.4790	1.678	2	109.9310	2.801	9	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:4:1:1:	3:4:4:	C[5a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]C)	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5a]C[5])(C[5]C[5]CH)(CC[6a]HH)	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]C){1|C<3>,1|C<4>,1|S<2>,5|H<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5a]C[5])(C[5]C[5]CH)(CC[6a]HH){2|C<3>,4|H<1>}	110.2010	0.000	1	110.2010	0.000	1	110.2010	0.000	1	110.3995	0.079	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:4:1:1:	3:4:4:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(CCHH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(CCHH){2|C<3>,4|H<1>}	110.5980	0.000	1	110.5980	0.000	1	110.5980	0.000	1	110.3995	0.079	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:4:1:1:	4:3:1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(H){2|H<1>,6|C<3>}	110.6180	0.000	1	110.6180	0.000	1	110.6180	0.000	1	110.6180	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:N-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(NOO)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N){1|C<2>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(NOO){1|C<2>,2|H<1>,5|C<3>}	108.4250	0.000	1	108.4250	0.000	1	109.5630	0.543	5	109.5630	0.543	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:N-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5a]C[5]H)(C[5]C[6a]C[5])(NCS)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N){3|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5](C[5]C[5a]C[5]H)(C[5]C[6a]C[5])(NCS){4|C<3>,4|H<1>}	109.8475	0.429	4	109.8475	0.184	4	109.5630	0.543	5	109.5630	0.543	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:4:2:1:	3:3:2:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-3:C[5]-3:O-2:	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(CC[6a]CH)(O[5]C[5])(H)	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(OH)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(CC[6a]CH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>}	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(OH){1|C<4>,1|H<1>,2|C<3>}	107.0550	0.000	1	107.0550	0.000	1	107.0550	0.000	1	107.0550	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:4:2:1:	3:3:3:	C[5]-3:C[5]-4:N[5]-3:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]O[5]CH)(N[5]C[5]2)	C[5](C[5]C[5]N[5])(CC[6a]HN)(O[5]C[5])(H)	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]O[5]O)	C[5](C[5]C[6a]C[5])(C[5]O[5]CH)(N[5]C[5]2){1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]N[5])(CC[6a]HN)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]O[5]O){2|C<4>,3|C<3>,3|H<1>}	109.5630	0.000	1	109.5630	0.000	1	109.5630	0.000	1	109.5630	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:4:2:1:	4:3:1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]C[5]H){1|N<3>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(OC)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(H){1|O<2>,3|H<1>,4|C<3>}	109.5450	0.000	1	109.5450	0.000	1	109.5450	0.000	1	109.5450	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:4:2:2:	3:3:1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:C-2:C-2:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CN)2	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H){3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CN)2{1|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){1|H<1>,2|C<2>,3|C<3>}	108.6417	0.438	9	108.6417	0.192	9	108.6417	0.192	9	108.6417	0.192	9	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:4:2:2:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:C-2:C-2:	C[5]-3:N[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]C)	C[5](C[5]C[6a]C[5])(C[5]N[5]HH)(CN)2	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]C){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[5]N[5]HH)(CN)2{4|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(COO){2|C<2>,2|C<3>,2|H<1>}	107.3300	0.000	1	107.3300	0.000	1	107.3300	0.000	1	107.3300	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:4:2:2:	3:4:1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:C-2:C-2:	C[5]-3:C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CN)2	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CN)2{2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H){1|C<4>,1|H<1>,2|C<2>,2|C<3>}	108.4865	0.220	2	108.4865	0.048	2	108.4865	0.048	2	108.4865	0.048	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:4:2:3:	3:3:2:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C-4:O[5]-2:C-3:	C[5]-3:C[5]-3:O-2:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(CC[6a]HH)(O[5]C[5])(COO)	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(OH)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(CC[6a]HH)(O[5]C[5])(COO){1|O<1>,1|O<2>,2|C<3>}	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(OH){1|C<4>,3|C<3>}	106.9750	0.024	2	106.9750	0.001	2	106.9750	0.001	2	106.9750	0.001	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:4:3:2:	3:3:1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:C-3:C-2:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CClN)(CN)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H){3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CClN)(CN){1|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){1|C<2>,1|H<1>,4|C<3>}	109.5235	0.214	2	109.5235	0.046	2	109.5890	0.036	3	109.5890	0.036	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:4:3:2:	3:3:1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:C-3:C-2:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(COO)(CN)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H){3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(COO)(CN){1|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){1|C<2>,1|H<1>,4|C<3>}	109.7200	0.000	1	109.7200	0.000	1	109.5890	0.036	3	109.5890	0.036	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:4:4:1:	3:4:1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-3:C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CCCO)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]H){2|C<3>,6|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CCCO)(H){2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H){1|C<4>,2|C<3>,3|H<1>}	110.6580	0.000	1	110.6580	0.000	1	110.6580	0.000	1	110.6580	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:4:4:1:	4:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[5]C[5]HN)(CCHH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(CHO)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C){1|N<3>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HN)(CCHH)(H){1|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(CHO){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	111.4617	0.304	4	111.4617	0.092	4	111.4617	0.092	4	111.4617	0.092	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:4:4:2:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:C-4:O-2:	C[5]-3:C[5]-3:Si-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CO)(C[5]C[5]Si)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)(OC)	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(SiC3)	C[5](C[6a]C[6a]2)(C[5]C[5]CO)(C[5]C[5]Si){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)(OC){1|Si<4>,1|O<1>,2|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(SiC3){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	113.5430	0.000	1	113.5430	0.000	1	113.5430	0.000	1	113.5430	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:4:4:4:	3:4:1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-3:C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]HH)(CH3)	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]HH)(CH3){1|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(H){2|C<3>,2|C<4>,2|H<1>}	112.3690	0.000	1	112.3690	0.000	1	111.7573	0.295	3	111.7573	0.295	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	3:4:4:4:	3:4:1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-3:C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]HO)(CH3)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H){2|C<3>,6|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]HO)(CH3){2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H){2|C<3>,2|C<4>,2|H<1>}	111.4515	0.168	2	111.4515	0.028	2	111.7573	0.295	3	111.7573	0.295	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	4:3:1:1:	3:2:1:	C[5]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:N[5]-2:H-1:	C[5](C[5]C[5,6a]2)(C[5]C[5]HH)(C[5]N[5]H)	C[5](C[5]N[5]HH)(C[5]C[5]2)(H)2	C[5](C[5]C[5]2)(N[5]C[5])(H)	C[5](C[5]C[5,6a]2)(C[5]C[5]HH)(C[5]N[5]H){2|H<1>,4|C<3>}	C[5](C[5]N[5]HH)(C[5]C[5]2)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5]2)(N[5]C[5])(H){2|C<3>,4|H<1>}	104.4900	0.000	1	104.4900	0.000	1	104.4900	0.000	1	106.8175	10.835	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	4:3:1:1:	3:2:1:	C[5]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]O[5])(C[5]C[5]HH)(C[5]O[5]O)	C[5](C[5]O[5]HH)(C[5]C[5]2)(H)2	C[5](C[5]C[5]2)(O[5]C[5])(O)	C[5](C[5]C[5]O[5])(C[5]C[5]HH)(C[5]O[5]O){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]2)(H)2{1|C<4>,1|O<1>,1|O<2>}	C[5](C[5]C[5]2)(O[5]C[5])(O){1|C<4>,1|O<2>,4|H<1>}	109.1450	0.000	1	109.1450	0.000	1	109.1450	0.000	1	106.8175	10.835	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	4:3:1:1:	3:2:3:	C[5]-3:C[5]-4:C-3:	C[5,6]-4:C[5]-3:H-1:H-1:	C[6a]-3:O[5]-2:C[5]-3:	C[5](C[5]C[6a]O[5])(C[5]C[5,6]HH)(COO)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(H)2	C[5](C[6a]C[6a]2)(O[5]C[5,6])(C[5]C[5]C)	C[5](C[5]C[6a]O[5])(C[5]C[5,6]HH)(COO){4|C<3>}	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(H)2{2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(O[5]C[5,6])(C[5]C[5]C){4|C<3>,4|H<1>}	109.9765	0.217	2	109.9765	0.047	2	109.9765	0.047	2	109.9765	0.047	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	4:3:1:1:	3:3:1:	C[5]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5,6a]C[5])(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5]N[5]HH)(C[5]C[5]2)(H)2	C[5](C[5]C[5]2)(N[5]C[5]C)(O)	C[5](C[5]C[5,6a]C[5])(C[5]C[5]HH)(C[5]N[5]O){2|H<1>,3|C<3>,3|C<4>}	C[5](C[5]N[5]HH)(C[5]C[5]2)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5](C[5]C[5]2)(N[5]C[5]C)(O){1|C<3>,1|C<4>,4|H<1>}	107.9390	0.000	1	107.9390	0.000	1	106.4293	1.720	3	107.8305	3.093	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	4:3:1:1:	3:3:1:	C[5]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5,6a]C[5])(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5]N[5]HH)(C[5]C[5]2)(H)2	C[5](C[5]C[5]2)(N[5]C[5]H)(O)	C[5](C[5]C[5,6a]C[5])(C[5]C[5]HH)(C[5]N[5]O){2|C<3>,3|C<4>,3|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]2)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]2)(N[5]C[5]H)(O){1|C<3>,1|C<4>,4|H<1>}	105.6745	0.144	2	105.6745	0.021	2	106.4293	1.720	3	107.8305	3.093	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	4:3:1:1:	3:3:1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H)	C[5](C[5]N[5a]N[5]H)(C[5]C[6a]C[5])(H)2	C[5](C[5]C[6a]C[5])(N[5]C[5]S)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H){1|N<3>,1|S<4>,2|C<3>,3|H<1>}	C[5](C[5]N[5a]N[5]H)(C[5]C[6a]C[5])(H)2{1|H<1>,1|S<4>,4|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[5]S)(H){1|N<3>,2|C<3>,3|H<1>}	109.2317	0.351	3	109.2317	0.123	3	109.2317	0.123	3	107.8305	3.093	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	4:3:1:1:	3:3:2:	C[5]-3:C[5]-4:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:O[5]-2:	C[5](C[5]C[6a]O[5])(C[5]C[5]HH)(CCH)	C[5](C[5]O[5]HH)(C[5]C[5]C)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])	C[5](C[5]C[6a]O[5])(C[5]C[5]HH)(CCH){2|C<3>,2|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]C)(H)2{1|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5]){1|N<3>,2|C<3>,5|H<1>}	108.7600	0.000	1	108.7600	0.000	1	108.5440	0.544	8	108.5440	0.544	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	4:3:1:1:	3:3:2:	C[5]-3:C[5]-4:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:O[5]-2:	C[5](C[5]C[6a]O[5])(C[5]C[5]HH)(CCO)	C[5](C[5]O[5]HH)(C[5]C[5]C)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])	C[5](C[5]C[6a]O[5])(C[5]C[5]HH)(CCO){2|C<3>,2|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]C)(H)2{1|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5]){1|O<2>,2|C<3>,5|H<1>}	109.4150	0.000	1	109.4150	0.000	1	108.5440	0.544	8	108.5440	0.544	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	4:3:1:1:	3:3:2:	C[5]-3:C[5]-4:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:O[5]-2:	C[5](C[5]C[6a]O[5])(C[5]C[5]HH)(CC[6a]C)	C[5](C[5]O[5]HH)(C[5]C[5]C)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])	C[5](C[5]C[6a]O[5])(C[5]C[5]HH)(CC[6a]C){2|C<3>,2|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]C)(H)2{1|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5]){1|O<2>,2|C<3>,5|H<1>}	107.9580	0.000	1	107.9580	0.000	1	108.5440	0.544	8	108.5440	0.544	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	4:3:1:1:	3:3:2:	C[5]-3:C[5]-4:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:O[5]-2:	C[5](C[5]C[6a]O[5])(C[5]C[5]HH)(CC[6a]O)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]C)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])	C[5](C[5]C[6a]O[5])(C[5]C[5]HH)(CC[6a]O){1|C<4>,3|C<3>}	C[5](C[5]C[6a]O[5]C)(C[5]C[5]C)(H)2{3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5]){1|C<4>,3|C<3>,4|H<1>}	108.5330	0.000	1	108.5330	0.000	1	108.5440	0.544	8	108.5440	0.544	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	4:3:1:1:	3:3:2:	C[5]-3:C[5]-4:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:O[5]-2:	C[5](C[5]C[6a]O[5])(C[5]C[5]HH)(CC[6a]O)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])	C[5](C[5]C[6a]O[5])(C[5]C[5]HH)(CC[6a]O){1|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(H)2{3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5]){3|C<3>,5|H<1>}	107.1130	0.000	1	107.1130	0.000	1	108.5440	0.544	8	108.5440	0.544	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	4:3:1:1:	3:3:2:	C[5]-3:C[5]-4:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:O[5]-2:	C[5](C[5]C[6a]O[5])(C[5]C[5]HH)(CC[6a]O)	C[5](C[5]O[5]CH)(C[5]C[5]C)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])	C[5](C[5]C[6a]O[5])(C[5]C[5]HH)(CC[6a]O){1|H<1>,3|C<3>}	C[5](C[5]O[5]CH)(C[5]C[5]C)(H)2{1|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5]){3|C<3>,5|H<1>}	108.6655	0.313	2	108.6655	0.098	2	108.5440	0.544	8	108.5440	0.544	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	4:3:1:1:	3:3:2:	C[5]-3:C[5]-4:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:O[5]-2:	C[5](C[5]C[6a]O[5])(C[5]C[5]HH)(COO)	C[5](C[5]O[5]CC)(C[5]C[5]C)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])	C[5](C[5]C[6a]O[5])(C[5]C[5]HH)(COO){4|C<3>}	C[5](C[5]O[5]CC)(C[5]C[5]C)(H)2{1|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5]){4|C<3>,4|H<1>}	109.2420	0.000	1	109.2420	0.000	1	108.5440	0.544	8	108.5440	0.544	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	4:3:1:1:	3:3:3:	C[5]-3:C[5]-4:C-3:	C[5,5]-4:C[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])(C[5]C[5,5]HH)(COO)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]C)(H)2	C[5](C[6a]C[6a]2)(N[5]C[5,5]S)(C[5]C[5]C)	C[5](C[5]C[6a]N[5])(C[5]C[5,5]HH)(COO){1|S<4>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]C)(H)2{1|N<3>,1|O<1>,1|S<4>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5,5]S)(C[5]C[5]C){4|C<3>,4|H<1>}	110.9800	0.000	1	110.9800	0.000	1	110.8970	0.014	2	110.3072	3.705	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	4:3:1:1:	3:3:3:	C[5]-3:C[5]-4:C-3:	C[5,5]-4:C[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])(C[5]C[5,5]HH)(COO)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]C)(H)2	C[5](C[6a]C[6a]2)(N[5]C[5,5]S)(C[5]C[5]C)	C[5](C[5]C[6a]N[5])(C[5]C[5,5]HH)(COO){1|C<4>,1|S<4>,3|C<3>}	C[5](C[5,5]C[5]2N[5])(C[5]C[5]C)(H)2{1|N<3>,1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5,5]S)(C[5]C[5]C){1|C<4>,3|C<3>,4|H<1>}	110.8140	0.000	1	110.8140	0.000	1	110.8970	0.014	2	110.3072	3.705	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	4:3:1:1:	3:3:3:	C[5]-3:C[5]-4:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C[6]-3:	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CCH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(C[6]C[6]2)	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CCH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(C[6]C[6]2){4|C<4>,5|H<1>}	112.9270	0.000	1	112.9270	0.000	1	112.9270	0.000	1	110.3072	3.705	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	4:3:1:1:	3:3:3:	C[5]-3:C[5]-4:C-3:	C[5]-4:C[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CC[6a]O)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CC[6a]O){1|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(H)2{4|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){5|C<3>,5|H<1>}	108.5260	0.000	1	108.5260	0.000	1	108.5260	0.000	1	110.3072	3.705	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	4:3:1:1:	3:3:3:	C[5]-3:C[5]-4:C[6a]-3:	C[5,5]-4:C[5]-3:F-1:F-1:	C[5,5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]FF)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(F)2	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]FF)(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(F)2{8|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|F<1>,2|H<1>,8|C<3>}	108.2890	0.000	1	108.2890	0.000	1	108.2890	0.000	1	110.3072	3.705	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	4:3:1:1:	3:4:1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(H)2{2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(H){3|C<3>,3|H<1>}	110.1790	0.000	1	110.1790	0.000	1	110.1790	0.000	1	110.1790	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	4:3:1:1:	3:4:3:	C[5]-3:C[5]-4:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[6]-3:C[5]-4:C[5]-3:	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CC[6a]H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[6]C[6]S[6])(C[5]C[5]HH)(C[5]C[5]C)	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CC[6a]H){1|C<4>,1|S<2>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<3>,2|H<1>}	C[5](C[6]C[6]S[6])(C[5]C[5]HH)(C[5]C[5]C){1|C<3>,1|C<4>,6|H<1>}	106.8040	0.000	1	106.8040	0.000	1	106.8040	0.000	1	109.8027	7.292	7	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	4:3:1:1:	3:4:3:	C[5]-3:C[5]-4:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]O)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]O){2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C){3|C<3>,5|H<1>}	110.9505	1.545	2	110.9505	2.387	2	111.9500	4.191	3	109.8027	7.292	7	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	4:3:1:1:	3:4:3:	C[5]-3:C[5]-4:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(COO)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]C)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(COO){2|C<2>,4|C<3>}	C[5](C[5]C[6a]C[5]C)(C[5]C[5]C)(H)2{2|C<2>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C){4|C<3>,4|H<1>}	113.9490	0.000	1	113.9490	0.000	1	111.9500	4.191	3	109.8027	7.292	7	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	4:3:1:1:	3:4:3:	C[5]-3:C[5]-4:C-3:	C[5]-4:C[5]-3:H-1:H-1:	N[5]-3:C[5]-4:C[5]-3:	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(CCC)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HH)(C[5]C[5]C)	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(CCC){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|N<3>,2|H<1>}	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HH)(C[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,6|H<1>}	110.2590	0.000	1	110.2590	0.000	1	109.8255	0.376	2	109.8027	7.292	7	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	4:3:1:1:	3:4:3:	C[5]-3:C[5]-4:C-3:	C[5]-4:C[5]-3:H-1:H-1:	N[5]-3:C[5]-4:C[5]-3:	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(CC[6a]C)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HH)(C[5]C[5]C)	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(CC[6a]C){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|N<3>,2|H<1>}	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HH)(C[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,6|H<1>}	109.3920	0.000	1	109.3920	0.000	1	109.8255	0.376	2	109.8027	7.292	7	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	4:3:1:1:	3:4:3:	C[5]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:H-1:H-1:	C[6]-3:C[5]-4:C[5]-3:	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(C[5]C[5]2)	C[5](C[5]C[5]HH)(C[5]C[5]2)(H)2	C[5](C[6]C[6]S[6])(C[5]C[5]HH)(C[5]C[5]2)	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(C[5]C[5]2){1|C<3>,1|S<2>,3|C<4>,6|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[6]C[6]S[6])(C[5]C[5]HH)(C[5]C[5]2){2|C<3>,2|C<4>,6|H<1>}	106.3140	0.000	1	106.3140	0.000	1	106.3140	0.000	1	109.8027	7.292	7	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	4:3:1:1:	4:3:1:	C[5]-3:C[5]-4:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:O-1:	C[5](C[5]C[5,5]O)(C[5]C[5]HH)(CC[6a]H)	C[5](C[5]C[5,5]HH)(C[5]C[5]C)(H)2	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]C)(O)	C[5](C[5]C[5,5]O)(C[5]C[5]HH)(CC[6a]H){2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]C)(H)2{1|O<1>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]C)(O){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	107.9590	0.075	2	107.9590	0.006	2	107.9590	0.006	2	110.7350	8.632	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	4:3:1:1:	4:3:1:	C[5]-3:C[5]-4:C-3:	S[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]H)(C[5]S[5]HH)(COO)	C[5](S[5]C[5,6]OO)(C[5]C[5]C)(H)2	C[5](C[5,6]C[6]2S[5])(C[5]C[5]C)(H)	C[5](C[5]C[5,6]H)(C[5]S[5]HH)(COO){2|C<4>,2|O<1>}	C[5](S[5]C[5,6]OO)(C[5]C[5]C)(H)2{1|H<1>,2|C<4>}	C[5](C[5,6]C[6]2S[5])(C[5]C[5]C)(H){2|C<3>,2|C<4>,2|O<1>,4|H<1>}	117.1610	0.000	1	117.1610	0.000	1	117.1610	0.000	1	110.7350	8.632	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	4:3:1:1:	4:3:1:	C[5]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5]C[5]HH)(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]2)(H)	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(C[5]C[5]H){1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(H)2{1|C<3>,1|N<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(H){1|C<3>,1|N<2>,4|H<1>}	111.7140	0.000	1	111.7140	0.000	1	111.7140	0.000	1	110.7350	8.632	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	4:3:1:1:	4:3:1:	C[6a]-3:C[5]-4:C[5]-3:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[6a]C[6a,6a]2)(C[5]C[5,6]HH)(C[5]C[5,6]H)	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[6a]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[6a]C[5])(H)	C[5](C[6a]C[6a,6a]2)(C[5]C[5,6]HH)(C[5]C[5,6]H){1|Cr<9>,2|C<4>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[6a]C[5])(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[6a]C[5])(H){2|C<3>,2|C<4>,3|H<1>}	110.0460	0.000	1	110.0460	0.000	1	110.0460	0.000	1	110.7350	8.632	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	4:3:1:1:	4:3:1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(H)2{2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(H){3|H<1>,5|C<3>}	110.3470	0.956	3	110.3470	0.914	3	110.3470	0.914	3	110.7350	8.632	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	4:3:1:1:	4:3:3:	C[5]-3:C[5]-4:C-3:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(COO)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(COO){2|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C){1|N<3>,1|O<1>,3|C<3>,5|H<1>}	113.3640	0.000	1	113.3640	0.000	1	113.3640	0.000	1	111.4140	3.308	9	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	4:3:1:1:	4:3:3:	C[5]-3:C[5]-4:C-3:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5,5]HH)(COO)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(H)2	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[5]C[5,5]HH)(COO){2|C<2>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(H)2{1|N<3>,1|O<1>,2|C<2>,3|C<3>}	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]C[5]C){4|C<3>,4|H<1>}	113.2260	0.000	1	113.2260	0.000	1	113.2260	0.000	1	111.4140	3.308	9	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	4:3:1:1:	4:3:3:	C[5]-3:C[5]-4:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:N[5]-3:	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(CCO)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(N[5]C[5]2)	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(CCO){2|C<4>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(N[5]C[5]2){2|C<4>,8|H<1>}	107.8380	0.000	1	107.8380	0.000	1	107.8380	0.000	1	111.4140	3.308	9	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	4:3:1:1:	4:3:3:	C[5]-3:C[5]-4:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[6]-4:C[5]-3:C[5]-3:	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CCO)	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2	C[5](C[6]C[6]2H)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CCO){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2{1|C<4>,1|O<1>}	C[5](C[6]C[6]2H)(C[5]C[5]C)(C[5]C[5]O){2|C<3>,3|C<4>,4|H<1>}	113.1700	0.000	1	113.1700	0.000	1	113.1700	0.000	1	111.4140	3.308	9	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	4:3:1:1:	4:3:3:	C[5]-3:C[5]-4:C[6a]-3:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(H)2	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(H)2{1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|C<4>,5|C<3>,6|H<1>}	111.8795	0.251	2	111.8795	0.063	2	111.5430	0.371	3	111.4140	3.308	9	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	4:3:1:1:	4:3:3:	C[5]-3:C[5]-4:C[6a]-3:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|N<3>,4|C<3>,7|H<1>}	110.8700	0.000	1	110.8700	0.000	1	111.5430	0.371	3	111.4140	3.308	9	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	4:3:1:1:	4:3:3:	C[5]-3:C[5]-4:N-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[4]-3:C[5]-3:	C[5](C[5]C[4]C[5])(C[5]C[5]HH)(NHH)	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	C[5](C[5]C[5]HH)(C[4]S[4]2)(C[5]C[5]N)	C[5](C[5]C[4]C[5])(C[5]C[5]HH)(NHH){2|S<2>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[4]S[4]2)(C[5]C[5]N){1|Ga<4>,4|H<1>}	110.2495	0.063	2	110.2495	0.004	2	110.2495	0.004	2	111.4140	3.308	9	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	4:3:1:1:	4:4:3:	C[5]-3:C[5]-4:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[6]-4:C[5]-4:C[5]-3:	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CC[6a]C)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[6]C[6a]B[6]2)(C[5]C[5]HH)(C[5]C[5]C)	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CC[6a]C){1|C<3>,2|B<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>}	C[5](C[6]C[6a]B[6]2)(C[5]C[5]HH)(C[5]C[5]C){2|Cl<1>,1|C<4>,3|C<3>,4|H<1>}	110.9540	0.000	1	110.9540	0.000	1	110.9540	0.000	1	110.9540	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	4:3:2:1:	3:4:3:	C[5]-3:C[5]-4:N-3:	C[5]-4:C[5]-3:O-2:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]HO)(NCS)	C[5](C[5]C[5]HH)(C[5]C[5]N)(OC[6])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)	C[5](C[5]C[6a]C[5])(C[5]C[5]HO)(NCS){2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(OC[6])(H){1|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N){1|O<2>,2|C<3>,5|H<1>}	112.8370	0.000	1	112.8370	0.000	1	112.8370	0.000	1	112.7405	0.019	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	4:3:2:1:	3:4:3:	C[5]-3:C[5]-4:N-3:	C[5]-4:C[5]-3:S-2:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]HS)(NCS)	C[5](C[5]C[5]HH)(C[5]C[5]N)(SC[6a])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)	C[5](C[5]C[6a]C[5])(C[5]C[5]HS)(NCS){2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(SC[6a])(H){1|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N){1|S<2>,2|C<3>,5|H<1>}	112.6440	0.000	1	112.6440	0.000	1	112.6440	0.000	1	112.7405	0.019	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	4:3:2:2:	3:4:3:	C[5]-3:C[5]-4:N-3:	C[5]-4:C[5]-3:C-2:C-2:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(NCH)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N)(CN)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]N)	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(NCH){1|H<1>,2|C<2>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N)(CN)2{2|C<2>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]N){2|C<2>,3|C<3>,3|H<1>}	111.0900	0.201	2	111.0900	0.040	2	111.0900	0.040	2	110.6552	1.096	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	4:3:2:2:	3:4:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:C-2:C-2:	C[5]-3:C[5]-4:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5])(CN)2	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5])(CN)2{2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(COO){2|C<2>,4|C<3>}	108.8070	0.000	1	108.8070	0.000	1	108.8070	0.000	1	110.6552	1.096	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	4:3:2:2:	3:4:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:C-2:C-2:	C[5]-3:C[5]-4:N-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]N)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(CN)2	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(NCH)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]N){2|C<2>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(CN)2{1|N<3>,2|C<2>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(NCH){1|H<1>,2|C<2>,3|C<3>}	111.1445	0.264	2	111.1445	0.070	2	111.1445	0.070	2	110.6552	1.096	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	4:3:3:1:	3:3:1:	C[5]-3:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[5,6a]N[5])(C[5]C[6a]C[5]H)(C[5]N[5]H)	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]2)(N[5]C[5]H)(H)	C[5](C[5]C[5,6a]N[5])(C[5]C[6a]C[5]H)(C[5]N[5]H){1|H<1>,1|S<4>,6|C<3>}	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(C[5]C[5]2)(H){1|N<2>,4|H<1>,5|C<3>}	C[5](C[5]C[5]2)(N[5]C[5]H)(H){1|H<1>,1|N<2>,4|C<3>}	108.5780	0.000	1	108.5780	0.000	1	108.5780	0.000	1	108.5780	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	4:3:3:1:	3:3:3:	C[5]-3:C[5]-4:C-3:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CCH)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCH)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CCH){1|C<2>,4|C<3>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCH)(H){2|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|C<2>,3|H<1>,6|C<3>}	109.5940	0.086	2	109.5940	0.007	2	109.5940	0.007	2	109.5940	0.007	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	4:3:3:2:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:C-3:C-2:	C[5]-3:N[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]C)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])(COO)(CN)	C[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])(CC[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]C){3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])(COO)(CN){6|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])(CC[6a]O){1|C<2>,1|H<1>,6|C<3>}	107.1820	0.000	1	107.1820	0.000	1	107.1820	0.000	1	107.1820	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	4:3:3:2:	3:4:1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:C-3:C-2:	C[5]-3:C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(COO)(CN)	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(COO)(CN){2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(H){1|C<2>,1|H<1>,4|C<3>}	109.8840	0.000	1	109.8840	0.000	1	109.8840	0.000	1	109.8840	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	4:3:4:1:	3:3:2:	C[5]-3:C[5]-4:C-3:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-3:O[5]-2:	C[5](C[5]C[6a]O[5])(C[5]C[5]CH)(COO)	C[5](C[5]O[5]HH)(C[5]C[5]C)(CH3)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])	C[5](C[5]C[6a]O[5])(C[5]C[5]CH)(COO){2|C<3>,2|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]C)(CH3)(H){1|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5]){1|C<4>,3|C<3>,4|H<1>}	110.0350	0.000	1	110.0350	0.000	1	110.0350	0.000	1	112.3520	10.737	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	4:3:4:1:	3:3:2:	C[5]-3:C[5]-4:C-3:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-3:S[5]-2:	C[5](C[5]C[6a]S[5])(C[5]C[5]CH)(COO)	C[5](C[5]S[5]HH)(C[5]C[5]C)(CSiHH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(S[5]C[5])	C[5](C[5]C[6a]S[5])(C[5]C[5]CH)(COO){2|C<3>,2|H<1>}	C[5](C[5]S[5]HH)(C[5]C[5]C)(CSiHH)(H){1|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(S[5]C[5]){1|C<4>,2|C<3>,5|H<1>}	114.6690	0.000	1	114.6690	0.000	1	114.6690	0.000	1	112.3520	10.737	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	4:3:4:1:	3:4:3:	C[5]-3:C[5]-4:N-3:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(NCS)	C[5](C[5]C[5]HH)(C[5]C[5]N)(CCHH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(NCS){2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(CCHH)(H){1|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N){1|C<4>,2|C<3>,5|H<1>}	112.5670	0.000	1	112.5670	0.000	1	112.5670	0.000	1	112.5670	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:3:	4:4:3:1:	3:3:2:	C[5]-3:C[5]-4:C-3:	C[5]-4:C-4:C[5]-3:H-1:	C[6a]-3:C[5]-3:O[5]-2:	C[5](C[5]C[6a]O[5])(C[5]C[5]CH)(CC[6]O)	C[5](C[5]O[5]CC)(CC[5,6]HH)(C[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])	C[5](C[5]C[6a]O[5])(C[5]C[5]CH)(CC[6]O){2|C<3>,2|C<4>}	C[5](C[5]O[5]CC)(CC[5,6]HH)(C[5]C[5]C)(H){1|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5]){2|C<3>,3|C<4>,3|H<1>}	107.4220	0.000	1	107.4220	0.000	1	107.4220	0.000	1	107.4220	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:4:	3:2:1:1:	3:3:3:	C[5]-3:C[5]-4:C-4:	C[5]-3:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(CHHN)	C[5](C[5]C[5]C)(O[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]O[5]O)	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(CHHN){1|O<1>,2|C<3>}	C[5](C[5]C[5]C)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]O[5]O){2|C<3>,4|H<1>}	109.3270	0.000	1	109.3270	0.000	1	109.3270	0.000	1	109.3270	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:4:	3:2:4:2:	4:3:3:	C[5]-3:C[5]-4:C-4:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-4:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]O[5]CO)(CCFF)	C[5](C[5]C[5]C)(O[5]C[5])(CCFF)(OH)	C[5](C[5]C[6a]O[5]O)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[5]O[5]CO)(CCFF){1|O<2>,3|C<3>}	C[5](C[5]C[5]C)(O[5]C[5])(CCFF)(OH){1|O<2>,2|C<3>}	C[5](C[5]C[6a]O[5]O)(C[6a]C[6a]2)(C[5]C[5]C){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	109.4445	0.047	2	109.4445	0.002	2	109.4445	0.002	2	109.4445	0.002	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:4:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-4:C-4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(CRu2C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]C[5]C)	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(CRu2C){1|N<3>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]C[5]C){1|Ru<6>,4|C<3>,4|H<1>}	109.3050	0.000	1	109.3050	0.000	1	109.3050	0.000	1	110.4034	0.544	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:4:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-4:C-4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CCCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CCCH){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){4|C<3>,5|H<1>}	111.2110	0.000	1	111.2110	0.000	1	110.3700	0.182	6	110.4034	0.544	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:4:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-4:C-4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CC[6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CC[6a]HH){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){4|C<3>,5|H<1>}	110.0130	0.000	1	110.0130	0.000	1	110.3700	0.182	6	110.4034	0.544	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:4:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-4:C-4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]C)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]C){1|S<3>,3|H<1>,5|C<3>}	110.2470	0.000	1	110.2470	0.000	1	110.3700	0.182	6	110.4034	0.544	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:4:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-4:C-4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{1|C<4>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	110.3300	0.000	1	110.2497	0.008	3	110.3700	0.182	6	110.4034	0.544	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:4:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-4:C-4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|N<3>,4|C<3>,4|H<1>}	110.1520	0.000	1	110.2497	0.008	3	110.3700	0.182	6	110.4034	0.544	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:4:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-4:C-4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|O<2>,4|C<3>,4|H<1>}	110.2670	0.000	1	110.2497	0.008	3	110.3700	0.182	6	110.4034	0.544	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:4:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-4:S-4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(SC[6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]S)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(SC[6a]OO){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(H)2{1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]S){4|C<3>,5|H<1>}	111.7020	0.000	1	111.7020	0.000	1	111.7020	0.000	1	110.4034	0.544	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:4:	3:3:1:1:	3:4:3:	C[5]-3:C[5]-4:C-4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5]Re)(C[5]C[5]C)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3){1|Re<8>,2|C<3>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5]Re)(C[5]C[5]C){3|C<3>,3|C<4>,3|H<1>}	109.6810	0.000	1	109.6810	0.000	1	109.6810	0.000	1	109.6810	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-4:C-4:	C[5]-3:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]H)(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,6]O)(C[5]C[5]C)(H)2	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]C)(H)	C[5](C[5]C[5,6]H)(C[5]C[5]HH)(CH3){1|O<1>,2|C<4>}	C[5](C[5]C[5,6]O)(C[5]C[5]C)(H)2{1|H<1>,2|C<4>}	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]C)(H){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	112.1440	0.000	1	112.1440	0.000	1	112.1440	0.000	1	112.1440	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:4:	3:3:3:1:	3:3:3:	C[5]-3:C[5]-4:C-4:	C[5,6a]-3:C[5]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(CC[6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(CC[6a]HH){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCC)(H){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|C<2>,3|H<1>,5|C<3>}	110.7260	0.000	1	110.7260	0.000	1	110.7260	0.000	1	110.7260	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:4:	3:3:3:3:	3:3:3:	C[5]-3:C[5]-4:C-4:	C[5,6a]-3:C[5]-3:C-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(CHHO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(COO)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(CHHO){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(COO)2{1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){3|H<1>,6|C<3>}	110.0960	0.000	1	110.0960	0.000	1	110.0960	0.000	1	110.0960	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:4:	3:3:4:1:	3:3:3:	C[5]-3:C[5]-4:C-4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(CH3){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)(H){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	110.8850	0.000	1	110.8850	0.000	1	110.8850	0.000	1	110.8850	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:4:	3:3:4:1:	4:3:3:	C[5]-3:C[5]-4:C-4:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CH3)	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)(H)	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CH3){1|C<4>,1|O<1>,3|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)(H){1|C<4>,2|C<3>}	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	112.4150	0.000	1	112.4150	0.000	1	112.4150	0.000	1	112.4150	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:4:	3:4:2:1:	3:3:3:	C[5]-3:C[5]-4:C-4:	C[5]-3:C-4:O[5]-2:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]O[5]CH)(CCHH)	C[5](C[5]C[5]C)(CC[6a]CH)(O[5]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]O[5]O)	C[5](C[5]C[6a]C[5])(C[5]O[5]CH)(CCHH){1|O<1>,2|C<3>}	C[5](C[5]C[5]C)(CC[6a]CH)(O[5]C[5])(H){1|C<3>,1|O<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]O[5]O){1|C<4>,2|C<3>,3|H<1>}	109.2360	0.000	1	109.2360	0.000	1	109.2360	0.000	1	109.2360	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:4:	4:3:1:1:	3:3:2:	C[5]-3:C[5]-4:P-4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:O[5]-2:	C[5](C[5]C[6a]O[5])(C[5]C[5]HH)(PC[6a]2O)	C[5](C[5]O[5]CH)(C[5]C[5]P)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]P)(O[5]C[5])	C[5](C[5]C[6a]O[5])(C[5]C[5]HH)(PC[6a]2O){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]O[5]CH)(C[5]C[5]P)(H)2{1|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]P)(O[5]C[5]){1|C<4>,2|C<3>,5|H<1>}	108.4890	0.389	2	108.4890	0.151	2	108.4890	0.151	2	108.4890	0.151	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:4:	4:3:1:1:	3:3:3:	C[5]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CH3)	C[5](C[5]C[5]HO)(C[5]C[5]C)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CH3){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]C[5]C)(H)2{1|C<3>,1|O<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]O){1|O<2>,2|C<3>,5|H<1>}	112.8620	0.000	1	112.8620	0.000	1	112.8620	0.000	1	112.8620	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:4:	4:3:1:1:	4:3:1:	C[5]-3:C[5]-4:C-4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,5,6]H)(C[5]C[5,5]HH)(CH3)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]C)(H)2	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]C)(H)	C[5](C[5]C[5,5,6]H)(C[5]C[5,5]HH)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]C)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]C)(H){1|C<3>,3|C<4>,4|H<1>}	111.9790	0.000	1	111.9790	0.000	1	111.9790	0.000	1	111.6550	0.210	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:4:	4:3:1:1:	4:3:1:	C[5]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]H)(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,5]HH)(C[5]C[5]C)(H)2	C[5](C[5,5]C[5]2N[5])(C[5]C[5]C)(H)	C[5](C[5]C[5,5]H)(C[5]C[5]HH)(CH3){1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|N<3>}	C[5](C[5,5]C[5]2N[5])(C[5]C[5]C)(H){3|C<4>,6|H<1>}	111.3310	0.000	1	111.3310	0.000	1	111.3310	0.000	1	111.6550	0.210	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:4:	4:3:1:1:	4:3:3:	C[5]-3:C[5]-4:C-4:	C[3x5]-4:C[5]-3:H-1:H-1:	C[3x5]-4:C[6a]-3:C[5]-3:	C[5](C[5]C[3x5]C[6a])(C[5]C[3x5]HH)(CCCH)	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5]C[5]C)(H)2	C[5](C[3x5]C[3x5]N[5]2)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[3x5]C[6a])(C[5]C[3x5]HH)(CCCH){1|C<4>,2|N<3>,3|C<3>}	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5]C[5]C)(H)2{1|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5](C[3x5]C[3x5]N[5]2)(C[6a]C[6a]2)(C[5]C[5]C){1|S<4>,2|C<4>,4|C<3>,5|H<1>}	113.3230	0.000	1	113.3230	0.000	1	113.3230	0.000	1	111.7043	1.008	12	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:4:	4:3:1:1:	4:3:3:	C[5]-3:C[5]-4:C-4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5a]-3:C[5]-3:	C[5](C[5]C[5,5]C[5a])(C[5]C[5,5]HH)(CH3)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]C)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]O[5a])(C[5]C[5]C)	C[5](C[5]C[5,5]C[5a])(C[5]C[5,5]HH)(CH3){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]O[5a])(C[5]C[5]C){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	110.8174	0.371	5	110.8174	0.137	5	110.8174	0.137	5	111.7043	1.008	12	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:4:	4:3:1:1:	4:3:3:	C[5]-3:C[5]-4:C-4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(CH3)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[5]C)(H)2	C[5](C[5,5]C[5,5]N[5]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(CH3){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[5]C)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,5]C[5,5]N[5]H)(C[6a]C[6a]2)(C[5]C[5]C){2|C<4>,4|C<3>,4|H<1>}	112.3835	0.060	2	112.3835	0.004	2	112.1307	0.194	3	111.7043	1.008	12	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:4:	4:3:1:1:	4:3:3:	C[5]-3:C[5]-4:C-4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(CH3)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]C)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(CH3){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]C)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C){4|C<3>,7|H<1>}	111.6250	0.000	1	111.6250	0.000	1	112.1307	0.194	3	111.7043	1.008	12	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:4:	4:3:1:1:	4:3:3:	C[5]-3:C[5]-4:C-4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C[5]-3:	C[5](C[5]C[5,6]C[5])(C[5]C[5,6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]C)(H)2	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5,6]C[5])(C[5]C[5]C)	C[5](C[5]C[5,6]C[5])(C[5]C[5,6]HH)(CH3){1|Cr<9>,1|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5,6]C[5])(C[5]C[5]C){1|Cr<9>,3|H<1>,6|C<4>}	110.9910	0.000	1	110.9910	0.000	1	110.9910	0.000	1	111.7043	1.008	12	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:4:	4:3:1:1:	4:3:3:	C[5]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C[5]-3:	C[5](C[5]C[5,6]C[5])(C[5]C[5]HH)(CC[5]HH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[5,6]C[5])(C[5]C[5]HH)(CC[5]HH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<4>,1|O<1>}	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]C)(C[5]C[5]O){1|C<3>,3|C<4>,6|H<1>}	112.9100	0.000	1	112.9100	0.000	1	112.9100	0.000	1	111.7043	1.008	12	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:4:	4:3:1:1:	4:3:3:	C[5]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[6]-4:C[5]-3:C[5]-3:	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CCHH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[6]C[5,6]C[6]H)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CCHH){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<4>,1|O<1>}	C[5](C[6]C[5,6]C[6]H)(C[5]C[5]C)(C[5]C[5]O){1|O<1>,4|C<4>,4|H<1>}	112.7480	0.000	1	112.7480	0.000	1	112.7480	0.000	1	111.7043	1.008	12	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:4:	4:3:2:1:	4:3:3:	C[5]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]HO)(CHHO)	C[5](C[5]C[5]HH)(C[5]C[5]C)(OH)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[5]C[5]HO)(CHHO){3|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(OH)(H){1|H<1>,2|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C){1|O<2>,4|C<3>,5|H<1>}	111.5690	0.000	1	111.5690	0.000	1	111.5690	0.000	1	111.5690	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:4:	4:3:3:1:	3:3:2:	C[5]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:C-3:H-1:	C[6a]-3:C[5]-3:O[5]-2:	C[5](C[5]C[6a]O[5])(C[5]C[5]CH)(CC[5]HH)	C[5](C[5]O[5]HH)(C[5]C[5]C)(CCC)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])	C[5](C[5]C[6a]O[5])(C[5]C[5]CH)(CC[5]HH){2|C<3>,2|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]C)(CCC)(H){1|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5]){3|C<3>,5|H<1>}	109.8960	0.000	1	109.8960	0.000	1	109.8960	0.000	1	109.8960	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:4:	4:3:3:3:	3:4:3:	C[5]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:C-3:C-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(CCHH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(COO)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(CCHH){2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(COO)2{1|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C){4|C<3>,4|H<1>}	110.8870	0.000	1	110.8870	0.000	1	110.8870	0.000	1	110.8870	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:4:	4:3:4:1:	3:4:3:	C[5]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:C-4:H-1:	C[5a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[5a]C[5])(C[5]C[5]CH)(CC[6a]HH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHN)(H)	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]C)	C[5](C[5]C[5a]C[5])(C[5]C[5]CH)(CC[6a]HH){2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHN)(H){1|C<3>,2|H<1>}	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]C){1|C<3>,1|C<4>,1|S<2>,5|H<1>}	111.4310	0.000	1	111.4310	0.000	1	111.4310	0.000	1	111.4310	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:4:	4:3:4:1:	4:3:3:	C[5]-3:C[3]-4:C[5]-4:	C[5]-4:C[5]-3:C-4:H-1:	B[5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]B[5])(C[3]C[3]2H)(C[5]C[5]CH)	C[5](C[5]C[6a]B[5]H)(C[5]C[3]C[5])(CH3)(H)	C[5](B[5]C[6a]C[5]C)(C[5]C[3]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]B[5])(C[3]C[3]2H)(C[5]C[5]CH){1|C<2>,4|C<3>,5|H<1>}	C[5](C[5]C[6a]B[5]H)(C[5]C[3]C[5])(CH3)(H){1|C<2>,1|H<1>,2|C<4>,4|C<3>}	C[5](B[5]C[6a]C[5]C)(C[5]C[3]C[5])(C[6a]C[6a]2){2|F<1>,3|C<4>,3|H<1>,5|C<3>}	114.2260	0.000	1	114.2260	0.000	1	114.2260	0.000	1	113.3005	1.713	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:4:	4:3:4:1:	4:3:3:	C[5]-3:C[5]-4:C-4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]CH)(CH3)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(CH3)(H)	C[5](C[5,6]C[6,6a]C[5,6]C)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]CH)(CH3){1|H<1>,2|C<4>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]C)(C[6a]C[6a]2)(C[5]C[5]C){2|C<4>,4|C<3>,4|H<1>}	112.3750	0.000	1	112.3750	0.000	1	112.3750	0.000	1	113.3005	1.713	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:4:	4:3:4:4:	3:3:3:	C[5]-3:C[5]-4:C-4:	B[4,5]-4:C[5]-3:C-4:C-4:	S[4,5]-3:C[6a]-3:C[5]-3:	C[5](C[5]S[4,5]C[6a])(C[5]B[4,5]CC)(CH3)	C[5](B[4,5]S[4,5]C[6a]C[4])(C[5]C[5]C)(CH3)2	C[5](S[4,5]B[4,5]C[4])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]S[4,5]C[6a])(C[5]B[4,5]CC)(CH3){5|C<3>}	C[5](B[4,5]S[4,5]C[6a]C[4])(C[5]C[5]C)(CH3)2{5|C<3>}	C[5](S[4,5]B[4,5]C[4])(C[6a]C[6a]2)(C[5]C[5]C){2|F<1>,3|C<4>,4|C<3>}	118.5760	0.000	1	118.5760	0.000	1	118.5760	0.000	1	118.5760	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	3:4:4:	4:3:4:4:	4:3:4:	C[5]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:C-4:C-4:	C[5,5]-4:C[5]-3:C-4:	C[5](C[5]C[5,5]C)(C[5]C[5]CC)(CCHH)	C[5](C[5]C[5,5]HO)(C[5]C[5]C)(CC[5a]HO)(CH3)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(CH3)	C[5](C[5]C[5,5]C)(C[5]C[5]CC)(CCHH){1|C<3>,1|H<1>,2|O<2>}	C[5](C[5]C[5,5]HO)(C[5]C[5]C)(CC[5a]HO)(CH3){1|C<3>,1|C<4>,1|O<2>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(CH3){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	113.1690	0.314	3	113.1690	0.098	3	113.1690	0.098	3	113.1690	0.098	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	2:3:3:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	O[5]-2:C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]H)(H)	C[5](O[5]C[5,5])(C[5]C[5]2)(C[5]C[5]H)(H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]H)(H){2|C<3>,2|C<4>}	C[5](O[5]C[5,5])(C[5]C[5]2)(C[5]C[5]H)(H){1|H<1>,1|O<1>,5|C<4>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(H){1|C<3>,3|C<4>,4|H<1>}	108.5900	0.000	1	108.5900	0.000	1	108.5900	0.000	1	108.5900	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:2:1:1:	3:3:2:	C[5]-4:C[5]-3:O-1:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-3:C[5]-3:C-2:	C[5](C[5]S[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]O)(S[5]C[5])(H)2	C[5](C[5]N[6]S[5])(C[5]C[5]O)(CN)	C[5](C[5]S[5]HH)(C[5]C[5]C)(O){1|N<3>}	C[5](C[5]C[5]O)(S[5]C[5])(H)2{1|C<2>,1|N<3>}	C[5](C[5]N[6]S[5])(C[5]C[5]O)(CN){2|C<4>,2|H<1>}	111.4770	0.000	1	111.4770	0.000	1	111.4770	0.000	1	111.4770	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:2:1:1:	3:3:3:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]O[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(O[5]C[5])(H)2	C[5](C[5]C[5]H)(C[5]O[5]O)(CCH)	C[5](C[5]O[5]HH)(C[5]C[5]C)(H){1|O<1>}	C[5](C[5]C[5]H)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(CCH){2|H<1>}	110.8770	0.000	1	110.8770	0.000	1	110.8770	0.000	1	108.5125	10.018	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:2:1:1:	3:3:3:	C[5]-4:C[5]-3:O-1:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]O[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]O)(O[5]C[5])(H)2	C[5](C[5]C[5]O)(C[5]O[5]N)(COO)	C[5](C[5]O[5]HH)(C[5]C[5]C)(O){1|N<3>}	C[5](C[5]C[5]O)(O[5]C[5])(H)2{1|C<3>,1|N<3>}	C[5](C[5]C[5]O)(C[5]O[5]N)(COO){2|H<1>}	105.1760	0.000	1	105.1760	0.000	1	105.8195	0.828	2	108.5125	10.018	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:2:1:1:	3:3:3:	C[5]-4:C[5]-3:O-1:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]O[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]O)(O[5]C[5])(H)2	C[5](C[5]C[5]O)(C[5]O[5]O)(CCC)	C[5](C[5]O[5]HH)(C[5]C[5]C)(O){1|O<2>}	C[5](C[5]C[5]O)(O[5]C[5])(H)2{1|C<3>,1|O<2>}	C[5](C[5]C[5]O)(C[5]O[5]O)(CCC){2|H<1>}	106.4630	0.000	1	106.4630	0.000	1	105.8195	0.828	2	108.5125	10.018	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:2:1:1:	3:3:3:	C[5]-4:C[5]-3:O-1:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]S[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]O)(S[5]C[5])(H)2	C[5](C[5]C[5]O)(C[5]S[5]S)(CC[6a]O)	C[5](C[5]S[5]HH)(C[5]C[5]C)(O){1|S<2>}	C[5](C[5]C[5]O)(S[5]C[5])(H)2{1|C<3>,1|S<2>}	C[5](C[5]C[5]O)(C[5]S[5]S)(CC[6a]O){2|H<1>}	111.5340	0.000	1	111.5340	0.000	1	111.5340	0.000	1	108.5125	10.018	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:2:1:1:	3:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]O[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(O[5]C[5])(H)2	C[5](C[5]C[5]H)(C[5]O[5]O)(CCCH)	C[5](C[5]O[5]HH)(C[5]C[5]C)(H){1|O<1>}	C[5](C[5]C[5]H)(O[5]C[5])(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(CCCH){2|H<1>}	109.5830	0.000	1	109.5830	0.000	1	110.2446	0.194	9	109.6089	2.155	11	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:2:1:1:	3:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]O[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(O[5]C[5])(H)2	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHH)	C[5](C[5]O[5]HH)(C[5]C[5]C)(H){1|O<1>}	C[5](C[5]C[5]H)(O[5]C[5])(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHH){2|H<1>}	110.4500	0.659	3	110.4500	0.434	3	110.2446	0.194	9	109.6089	2.155	11	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:2:1:1:	3:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]O[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(O[5]C[5])(H)2	C[5](C[5]C[5]H)(C[5]O[5]O)(CC[5]CH)	C[5](C[5]O[5]HH)(C[5]C[5]C)(H){1|O<1>}	C[5](C[5]C[5]H)(O[5]C[5])(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(CC[5]CH){2|H<1>}	110.2536	0.173	5	110.2536	0.030	5	110.2446	0.194	9	109.6089	2.155	11	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:2:1:1:	3:3:4:	C[5]-4:C[5]-3:O-1:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]O[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]O)(O[5]C[5])(H)2	C[5](C[5]C[5]O)(C[5]O[5]N)(CCHH)	C[5](C[5]O[5]HH)(C[5]C[5]C)(O){1|N<3>}	C[5](C[5]C[5]O)(O[5]C[5])(H)2{1|C<4>,1|N<3>}	C[5](C[5]C[5]O)(C[5]O[5]N)(CCHH){2|H<1>}	106.7410	0.000	1	106.7410	0.000	1	106.7485	0.000	2	109.6089	2.155	11	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:2:1:1:	3:3:4:	C[5]-4:C[5]-3:O-1:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]O[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]O)(O[5]C[5])(H)2	C[5](C[5]C[5]O)(C[5]O[5]O)(CC[5]CH)	C[5](C[5]O[5]HH)(C[5]C[5]C)(O){1|O<2>}	C[5](C[5]C[5]O)(O[5]C[5])(H)2{1|C<4>,1|O<2>}	C[5](C[5]C[5]O)(C[5]O[5]O)(CC[5]CH){2|H<1>}	106.7560	0.000	1	106.7560	0.000	1	106.7485	0.000	2	109.6089	2.155	11	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:2:1:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]O[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(C[5]C[5]H)(H)	C[5](C[5]O[5]HH)(C[5]C[5]H)(H){2|H<1>}	C[5](C[5]C[5]H)(O[5]C[5])(H)2{3|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]H)(H){2|H<1>}	106.6740	1.275	4	106.6740	1.626	4	106.6740	1.626	4	106.6740	1.626	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:2:1:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5]O[5]HH)(C[5]C[5]2)(H)	C[5](C[5]C[5]H)(O[5]C[5])(H)2	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]H)(C[5]O[5]O)	C[5](C[5]O[5]HH)(C[5]C[5]2)(H){1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5]H)(O[5]C[5])(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]H)(C[5]O[5]O){4|C<4>,4|H<1>}	110.7910	0.000	1	110.7910	0.000	1	110.5945	0.077	2	111.6005	22.234	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:2:1:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5]O[5]HH)(C[5]C[5]2)(H)	C[5](C[5]C[5]H)(O[5]C[5])(H)2	C[5](C[5]C[5]2H)(C[5]C[5]H)(C[5]O[5]O)	C[5](C[5]O[5]HH)(C[5]C[5]2)(H){1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5]H)(O[5]C[5])(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]2H)(C[5]C[5]H)(C[5]O[5]O){2|C<3>,6|H<1>}	110.3980	0.000	1	110.3980	0.000	1	110.5945	0.077	2	111.6005	22.234	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:2:1:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]S[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(S[5]C[5])(H)2	C[5](C[5]C[6a]S[5]H)(C[5]C[5]H)(CHO)	C[5](C[5]S[5]HH)(C[5]C[5]C)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(S[5]C[5])(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[6a]S[5]H)(C[5]C[5]H)(CHO){2|C<3>,2|H<1>}	117.4695	0.561	2	117.4695	0.314	2	117.4695	0.314	2	111.6005	22.234	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:2:1:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:C[5]-3:N-3:	C[5](C[5]S[5]HH)(C[5]C[5]N)(H)	C[5](C[5]C[5]H)(S[5]C[5])(H)2	C[5](C[5]C[6a]S[5]C)(C[5]C[5]H)(NOO)	C[5](C[5]S[5]HH)(C[5]C[5]N)(H){2|C<3>}	C[5](C[5]C[5]H)(S[5]C[5])(H)2{1|N<3>,2|C<3>}	C[5](C[5]C[6a]S[5]C)(C[5]C[5]H)(NOO){2|C<3>,2|H<1>}	115.8210	0.000	1	115.8210	0.000	1	115.8210	0.000	1	111.6005	22.234	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:2:1:1:	4:3:3:	C[5]-4:C[5]-3:O-1:	C[5]-3:O[5]-2:H-1:H-1:	C-4:C[5]-3:C[5]-3:	C[5](C[5]O[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]O)(O[5]C[5])(H)2	C[5](CC[6a]C[5]H)(C[5]C[5]O)(C[5]O[5]N)	C[5](C[5]O[5]HH)(C[5]C[5]C)(O){1|N<3>}	C[5](C[5]C[5]O)(O[5]C[5])(H)2{1|C<4>,1|N<3>}	C[5](CC[6a]C[5]H)(C[5]C[5]O)(C[5]O[5]N){2|H<1>}	107.4285	0.566	2	107.4285	0.321	2	107.4285	0.321	2	111.6005	22.234	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:2:1:1:	4:3:3:	C[5]-4:C[5]-3:O-1:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5]O[5]HH)(C[5]C[5]2)(O)	C[5](C[5]C[5]O)(O[5]C[5])(H)2	C[5](C[5]C[5]2H)(C[5]C[5]O)(C[5]O[5]O)	C[5](C[5]O[5]HH)(C[5]C[5]2)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]O)(O[5]C[5])(H)2{1|C<4>,1|O<2>}	C[5](C[5]C[5]2H)(C[5]C[5]O)(C[5]O[5]O){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	105.9980	0.000	1	105.9980	0.000	1	105.9980	0.000	1	111.6005	22.234	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:2:1:1:	4:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-3:Si-4:	C[5](C[5]O[5]HH)(C[5]C[5]Si)(H)	C[5](C[5]C[5]H)(O[5]C[5])(H)2	C[5](C[5]O[5]CC)(C[5]C[5]H)(SiC3)	C[5](C[5]O[5]HH)(C[5]C[5]Si)(H){1|C<3>,1|C<4>}	C[5](C[5]C[5]H)(O[5]C[5])(H)2{1|Si<4>,1|C<3>,1|C<4>}	C[5](C[5]O[5]CC)(C[5]C[5]H)(SiC3){2|H<1>}	112.0400	0.000	1	112.0400	0.000	1	112.0400	0.000	1	112.0400	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:2:2:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(H)	C[5](C[5]C[5]H)(O[5]C[5])(OC[6])(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(Cl)	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(H){1|O<1>}	C[5](C[5]C[5]H)(O[5]C[5])(OC[6])(H){1|Cl<1>,1|O<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(Cl){1|H<1>,1|O<2>}	108.4160	0.000	1	108.4160	0.000	1	108.4160	0.000	1	108.4160	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:2:2:1:	3:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]O[5]HO)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(O[5]C[5])(OC)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)	C[5](C[5]O[5]HO)(C[5]C[5]C)(H){1|O<1>}	C[5](C[5]C[5]H)(O[5]C[5])(OC)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3){1|H<1>,1|O<2>}	110.3352	0.488	5	110.3352	0.238	5	110.2568	0.227	6	110.2568	0.227	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:2:2:1:	3:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]O[5]HO)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(O[5]C[5])(OC[6])(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CC[6a]HO)	C[5](C[5]O[5]HO)(C[5]C[5]C)(H){1|O<1>}	C[5](C[5]C[5]H)(O[5]C[5])(OC[6])(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(CC[6a]HO){1|H<1>,1|O<2>}	109.8650	0.000	1	109.8650	0.000	1	110.2568	0.227	6	110.2568	0.227	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:2:2:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]O[5]HO)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(O[5]C[5])(OC)(H)	C[5](C[5]C[5]O[5]O)(C[5]C[5]H)(H)	C[5](C[5]O[5]HO)(C[5]C[5]H)(H){1|C<4>,1|O<2>}	C[5](C[5]C[5]H)(O[5]C[5])(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]O[5]O)(C[5]C[5]H)(H){1|C<4>,2|H<1>,2|O<2>}	110.7670	0.000	1	110.7670	0.000	1	110.7670	0.000	1	110.7670	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:2:2:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5]O[5]HO)(C[5]C[5]2)(H)	C[5](C[5]C[5]H)(O[5]C[5])(OC)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]H)(C[5]O[5]O)	C[5](C[5]O[5]HO)(C[5]C[5]2)(H){1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5]H)(O[5]C[5])(OC)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]H)(C[5]O[5]O){1|O<2>,3|H<1>,4|C<4>}	111.2140	0.000	1	111.2140	0.000	1	111.2140	0.000	1	111.2140	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:2:2:2:	3:3:1:	C[5]-4:C[5]-3:O-1:	C[5]-3:O[5]-2:C-2:O-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]O[5]CO)(C[5]C[5]H)(O)	C[5](C[5]C[5]O)(O[5]C[5])(CC)(OC)	C[5](C[5]C[6a]O[5])(C[5]C[5]O)(H)	C[5](C[5]O[5]CO)(C[5]C[5]H)(O){1|C<3>}	C[5](C[5]C[5]O)(O[5]C[5])(CC)(OC){1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5])(C[5]C[5]O)(H){1|C<2>,1|O<2>,2|C<3>}	104.8990	0.000	1	104.8990	0.000	1	104.8990	0.000	1	104.8990	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:2:2:2:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:C-2:C-2:	C[5]-4:C[5]-3:C-3:	C[5](C[5]O[5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CN)2	C[5](C[5]C[6a]O[5]H)(C[5]C[5]H)(COO)	C[5](C[5]O[5]CC)(C[5]C[5]C)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(O[5]C[5])(CN)2{1|H<1>,2|C<3>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]H)(COO){2|C<2>,2|C<3>}	108.8280	0.000	1	108.8280	0.000	1	108.8280	0.000	1	108.8280	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:2:4:1:	3:3:1:	C[5]-4:C[5]-3:Br-1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]O[5]CH)(C[5]C[5]H)(Br)	C[5](C[5]C[5]Br)(O[5]C[5])(CC[6]HO)(H)	C[5](C[5]C[5]Br)(C[5]O[5]O)(H)	C[5](C[5]O[5]CH)(C[5]C[5]H)(Br){1|O<1>}	C[5](C[5]C[5]Br)(O[5]C[5])(CC[6]HO)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]Br)(C[5]O[5]O)(H){1|C<4>,1|H<1>}	111.3260	0.000	1	111.3260	0.000	1	111.3260	0.000	1	109.4827	0.472	24	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:2:4:1:	3:3:1:	C[5]-4:C[5]-3:Br-1:	C[5]-3:O[5]-2:S-4:H-1:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]O[5]HS)(C[5]C[5]Br)(Br)	C[5](C[5]C[5]Br)(O[5]C[5])(SCOO)(H)	C[5](C[5]C[5]Br)(C[5]O[5]O)(Br)	C[5](C[5]O[5]HS)(C[5]C[5]Br)(Br){1|O<1>}	C[5](C[5]C[5]Br)(O[5]C[5])(SCOO)(H){1|Br<1>,1|O<1>}	C[5](C[5]C[5]Br)(C[5]O[5]O)(Br){1|H<1>,1|S<4>}	108.6800	0.000	1	108.6800	0.000	1	108.6800	0.000	1	109.4827	0.472	24	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:2:4:1:	3:3:1:	C[5]-4:C[5]-3:Cl-1:	C[5]-3:O[5]-2:S-4:H-1:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5]O[5]HS)(C[5]C[5]Cl)(Cl)	C[5](C[5]C[5]Cl)(O[5]C[5])(SCOO)(H)	C[5](C[5]C[5]Cl)(C[5]O[5]O)(Cl)	C[5](C[5]O[5]HS)(C[5]C[5]Cl)(Cl){1|O<1>}	C[5](C[5]C[5]Cl)(O[5]C[5])(SCOO)(H){1|Cl<1>,1|O<1>}	C[5](C[5]C[5]Cl)(C[5]O[5]O)(Cl){1|H<1>,1|S<4>}	108.7460	0.066	3	108.7460	0.004	3	108.7460	0.004	3	109.4827	0.472	24	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:2:4:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]O[5]CH)(C[5]C[5]Br)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCCH)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(Br)	C[5](C[5]O[5]CH)(C[5]C[5]Br)(H){1|O<1>}	C[5](C[5]C[5]H)(O[5]C[5])(CCCH)(H){1|Br<1>,1|O<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(Br){1|C<4>,1|H<1>}	109.0180	0.325	2	109.0180	0.106	2	109.0360	0.172	6	109.4827	0.472	24	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:2:4:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]O[5]CH)(C[5]C[5]Br)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(Br)	C[5](C[5]O[5]CH)(C[5]C[5]Br)(H){1|O<1>}	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(H){1|Br<1>,1|O<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(Br){1|C<4>,1|H<1>}	109.7310	0.000	1	109.7310	0.000	1	109.0360	0.172	6	109.4827	0.472	24	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:2:4:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]O[5]CH)(C[5]C[5]Br)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CC[6]CH)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(Br)	C[5](C[5]O[5]CH)(C[5]C[5]Br)(H){1|O<1>}	C[5](C[5]C[5]H)(O[5]C[5])(CC[6]CH)(H){1|Br<1>,1|O<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(Br){1|C<4>,1|H<1>}	108.8163	0.250	3	108.8163	0.063	3	109.0360	0.172	6	109.4827	0.472	24	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:2:4:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]O[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CC3)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(H)	C[5](C[5]O[5]CH)(C[5]C[5]H)(H){1|O<1>}	C[5](C[5]C[5]H)(O[5]C[5])(CC3)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(H){1|C<4>,1|H<1>}	110.2310	0.357	4	110.2310	0.128	4	109.7789	0.164	13	109.4827	0.472	24	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:2:4:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]O[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCCN)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(H)	C[5](C[5]O[5]CH)(C[5]C[5]H)(H){1|O<1>}	C[5](C[5]C[5]H)(O[5]C[5])(CCCN)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(H){1|C<4>,1|H<1>}	109.4580	0.000	1	109.4580	0.000	1	109.7789	0.164	13	109.4827	0.472	24	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:2:4:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]O[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(H)	C[5](C[5]O[5]CH)(C[5]C[5]H)(H){1|O<1>}	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(H){1|C<4>,1|H<1>}	109.6730	0.000	1	109.6730	0.000	1	109.7789	0.164	13	109.4827	0.472	24	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:2:4:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]O[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCHN)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(H)	C[5](C[5]O[5]CH)(C[5]C[5]H)(H){1|O<1>}	C[5](C[5]C[5]H)(O[5]C[5])(CCHN)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(H){1|C<4>,1|H<1>}	109.4200	0.266	3	109.4200	0.071	3	109.7789	0.164	13	109.4827	0.472	24	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:2:4:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]O[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(H)	C[5](C[5]O[5]CH)(C[5]C[5]H)(H){1|O<1>}	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(H){1|C<4>,1|H<1>}	109.4940	0.000	1	109.4940	0.000	1	109.7789	0.164	13	109.4827	0.472	24	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:2:4:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]O[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CC[6]HN)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(H)	C[5](C[5]O[5]CH)(C[5]C[5]H)(H){1|O<1>}	C[5](C[5]C[5]H)(O[5]C[5])(CC[6]HN)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(H){1|C<4>,1|H<1>}	109.7695	0.217	2	109.7695	0.047	2	109.7789	0.164	13	109.4827	0.472	24	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:2:4:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]O[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(H)	C[5](C[5]O[5]CH)(C[5]C[5]H)(H){1|O<1>}	C[5](C[5]C[5]H)(O[5]C[5])(CHHO)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(H){1|C<4>,1|H<1>}	109.7780	0.000	1	109.7780	0.000	1	109.7789	0.164	13	109.4827	0.472	24	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:2:4:1:	3:3:2:	C[5]-4:C[5]-3:O-1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-3:C[5]-3:N-2:	C[5](C[5]O[5]CH)(C[5]C[5]N)(O)	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(H)	C[5](C[5]C[5]O)(C[5]O[5]O)(NN)	C[5](C[5]O[5]CH)(C[5]C[5]N)(O){1|O<1>}	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(H){1|N<2>,1|O<1>}	C[5](C[5]C[5]O)(C[5]O[5]O)(NN){1|C<4>,1|H<1>}	106.3340	0.000	1	106.3340	0.000	1	106.3340	0.000	1	106.3340	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:2:4:1:	3:3:3:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]O[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CC[5]CH)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CCH)	C[5](C[5]O[5]CH)(C[5]C[5]C)(H){1|O<1>}	C[5](C[5]C[5]H)(O[5]C[5])(CC[5]CH)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(CCH){1|C<4>,1|H<1>}	110.7832	0.526	5	110.7832	0.277	5	110.7832	0.277	5	109.8703	2.701	7	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:2:4:1:	3:3:3:	C[5]-4:C[5]-3:O-1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-3:C[5]-3:C[5]-3:	C[5](C[5]O[5]CH)(C[5]C[5]2)(O)	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)(H)	C[5](C[5]C[5]O[5])(C[5]C[5]O)(C[5]O[5]O)	C[5](C[5]O[5]CH)(C[5]C[5]2)(O){1|C<3>,1|O<1>,1|O<2>}	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]O[5])(C[5]C[5]O)(C[5]O[5]O){1|C<3>,2|C<4>,2|H<1>}	107.5880	0.714	2	107.5880	0.510	2	107.5880	0.510	2	109.8703	2.701	7	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:2:4:1:	3:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]O[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CC3)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHH)	C[5](C[5]O[5]CH)(C[5]C[5]C)(H){1|O<1>}	C[5](C[5]C[5]H)(O[5]C[5])(CC3)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHH){1|C<4>,1|H<1>}	110.8660	0.774	2	110.8660	0.598	2	110.6852	1.080	20	110.1963	3.484	22	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:2:4:1:	3:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]O[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHH)	C[5](C[5]O[5]CH)(C[5]C[5]C)(H){1|O<1>}	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHH){1|C<4>,1|H<1>}	110.8024	0.405	5	110.8024	0.164	5	110.6852	1.080	20	110.1963	3.484	22	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:2:4:1:	3:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]O[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHO)	C[5](C[5]O[5]CH)(C[5]C[5]C)(H){1|O<1>}	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHO){1|C<4>,1|H<1>}	111.0510	0.000	1	111.0510	0.000	1	110.6852	1.080	20	110.1963	3.484	22	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:2:4:1:	3:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]O[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)	C[5](C[5]O[5]CH)(C[5]C[5]C)(H){1|O<1>}	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3){1|C<4>,1|H<1>}	112.8900	0.000	1	112.8900	0.000	1	110.6852	1.080	20	110.1963	3.484	22	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:2:4:1:	3:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]O[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCHN)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)	C[5](C[5]O[5]CH)(C[5]C[5]C)(H){1|O<1>}	C[5](C[5]C[5]H)(O[5]C[5])(CCHN)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3){1|C<4>,1|H<1>}	110.5680	0.000	1	110.5680	0.000	1	110.6852	1.080	20	110.1963	3.484	22	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:2:4:1:	3:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]O[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)	C[5](C[5]O[5]CH)(C[5]C[5]C)(H){1|O<1>}	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3){1|C<4>,1|H<1>}	109.9122	1.638	5	109.9122	2.682	5	110.6852	1.080	20	110.1963	3.484	22	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:2:4:1:	3:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]O[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CC[3]HH)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHH)	C[5](C[5]O[5]CH)(C[5]C[5]C)(H){1|O<1>}	C[5](C[5]C[5]H)(O[5]C[5])(CC[3]HH)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHH){1|C<4>,1|H<1>}	110.3230	0.000	1	110.3230	0.000	1	110.6852	1.080	20	110.1963	3.484	22	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:2:4:1:	3:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]O[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CC[3]HH)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHO)	C[5](C[5]O[5]CH)(C[5]C[5]C)(H){1|O<1>}	C[5](C[5]C[5]H)(O[5]C[5])(CC[3]HH)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHO){1|C<4>,1|H<1>}	110.6830	0.000	1	110.6830	0.000	1	110.6852	1.080	20	110.1963	3.484	22	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:2:4:1:	3:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]O[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CC[5]CH)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHH)	C[5](C[5]O[5]CH)(C[5]C[5]C)(H){1|O<1>}	C[5](C[5]C[5]H)(O[5]C[5])(CC[5]CH)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHH){1|C<4>,1|H<1>}	110.9660	0.000	1	110.9660	0.000	1	110.6852	1.080	20	110.1963	3.484	22	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:2:4:1:	3:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]O[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CC[5]HH)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHH)	C[5](C[5]O[5]CH)(C[5]C[5]C)(H){1|O<1>}	C[5](C[5]C[5]H)(O[5]C[5])(CC[5]HH)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHH){1|C<4>,1|H<1>}	111.1140	0.000	1	111.1140	0.000	1	110.6852	1.080	20	110.1963	3.484	22	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:2:4:1:	3:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]O[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CH3)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHH)	C[5](C[5]O[5]CH)(C[5]C[5]C)(H){1|O<1>}	C[5](C[5]C[5]H)(O[5]C[5])(CH3)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHH){1|C<4>,1|H<1>}	110.8040	0.000	1	110.8040	0.000	1	110.6852	1.080	20	110.1963	3.484	22	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:2:4:1:	3:3:4:	C[5]-4:C[5]-3:O-1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-3:C[5]-3:N-4:	C[5](C[5]O[5]CH)(C[5]C[5]N)(O)	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(H)	C[5](C[5]C[5]O)(C[5]O[5]O)(NH3)	C[5](C[5]O[5]CH)(C[5]C[5]N)(O){1|O<1>}	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(H){1|N<4>,1|O<1>}	C[5](C[5]C[5]O)(C[5]O[5]O)(NH3){1|C<4>,1|H<1>}	105.3075	0.260	2	105.3075	0.067	2	105.3075	0.067	2	110.1963	3.484	22	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:2:4:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]O[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CHHO)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]H)(H)	C[5](C[5]O[5]CH)(C[5]C[5]H)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]H)(O[5]C[5])(CHHO)(H){1|N<3>,2|H<1>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	111.7750	0.000	1	111.7750	0.000	1	111.7750	0.000	1	111.7750	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:2:4:2:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]O[5]CO)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(OC)	C[5](C[5]C[5]H)(C[5]O[5]C)(H)	C[5](C[5]O[5]CO)(C[5]C[5]H)(H){1|C<3>}	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(OC){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(C[5]O[5]C)(H){1|C<4>,1|O<2>}	111.2580	0.000	1	111.2580	0.000	1	111.2580	0.000	1	111.2580	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:2:4:2:	3:3:3:	C[5]-4:C[5]-3:O-1:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-3:C[5]-3:C-3:	C[5](C[5]O[5]CO)(C[5]C[5]C)(O)	C[5](C[5]C[5]O)(O[5]C[5])(CH3)(OH)	C[5](C[5]C[5]O)(C[5]O[5]C)(CCO)	C[5](C[5]O[5]CO)(C[5]C[5]C)(O){1|C<4>}	C[5](C[5]C[5]O)(O[5]C[5])(CH3)(OH){1|C<3>,1|C<4>}	C[5](C[5]C[5]O)(C[5]O[5]C)(CCO){1|C<4>,1|O<2>}	106.6330	0.000	1	106.6330	0.000	1	106.6330	0.000	1	106.6330	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:2:4:2:	3:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5]O[5]CO)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(OH)	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)	C[5](C[5]O[5]CO)(C[5]C[5]C)(H){1|O<1>}	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(OH){1|C<4>,1|O<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3){1|C<4>,1|O<2>}	111.3550	0.000	1	111.3550	0.000	1	111.3550	0.000	1	111.3550	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:2:4:2:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5]O[5]CO)(C[5]C[5]2)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CHHO)(OH)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]H)(C[5]O[5]O)	C[5](C[5]O[5]CO)(C[5]C[5]2)(H){1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5]H)(O[5]C[5])(CHHO)(OH){1|C<4>,1|O<1>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]H)(C[5]O[5]O){1|O<2>,2|H<1>,5|C<4>}	111.3230	0.000	1	111.3230	0.000	1	111.3230	0.000	1	111.3230	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:2:4:3:	3:3:2:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:C-4:C-3:	C[5]-3:C[5]-3:O-2:	C[5](C[5]O[5]CC)(C[5]C[5]O)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CH3)(COO)	C[5](C[5]C[5]H)(C[5]O[5]O)(OSi)	C[5](C[5]O[5]CC)(C[5]C[5]O)(H){1|O<1>}	C[5](C[5]C[5]H)(O[5]C[5])(CH3)(COO){1|O<1>,1|O<2>}	C[5](C[5]C[5]H)(C[5]O[5]O)(OSi){1|C<3>,1|C<4>}	108.9470	0.498	4	108.9470	0.248	4	108.9470	0.248	4	108.9470	0.248	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:2:4:3:	3:3:3:	C[5]-4:C[5]-3:O-1:	C[5]-3:O[5]-2:C-4:C-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]O[5]CC)(C[5]C[5]C)(O)	C[5](C[5]C[5]O)(O[5]C[5])(CH3)(CCH)	C[5](C[5]C[5]O[5])(C[5]C[5]O)(COO)	C[5](C[5]O[5]CC)(C[5]C[5]C)(O){1|C<4>}	C[5](C[5]C[5]O)(O[5]C[5])(CH3)(CCH){1|C<3>,1|C<4>}	C[5](C[5]C[5]O[5])(C[5]C[5]O)(COO){1|C<3>,1|H<1>,3|C<4>}	105.9790	0.000	1	105.9790	0.000	1	105.7115	0.143	2	105.7115	0.143	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:2:4:3:	3:3:3:	C[5]-4:C[5]-3:O-1:	C[5]-3:O[5]-2:C-4:C-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]O[5]CC)(C[5]C[5]C)(O)	C[5](C[5]C[5]O)(O[5]C[5])(CH3)(CCH)	C[5](C[5]C[6]O[5])(C[5]C[5]O)(COO)	C[5](C[5]O[5]CC)(C[5]C[5]C)(O){1|C<4>}	C[5](C[5]C[5]O)(O[5]C[5])(CH3)(CCH){1|C<3>,1|C<4>}	C[5](C[5]C[6]O[5])(C[5]C[5]O)(COO){1|C<3>,1|H<1>,3|C<4>}	105.4440	0.000	1	105.4440	0.000	1	105.7115	0.143	2	105.7115	0.143	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:2:4:4:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]O[5]CC)(C[5]C[5]Br)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CC[6]CH)(CH3)	C[5](C[5]C[5]H)(C[5]O[5]O)(Br)	C[5](C[5]O[5]CC)(C[5]C[5]Br)(H){1|O<1>}	C[5](C[5]C[5]H)(O[5]C[5])(CC[6]CH)(CH3){1|Br<1>,1|O<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(Br){2|C<4>}	109.8940	0.000	1	109.8940	0.000	1	109.8940	0.000	1	109.7044	4.135	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:2:4:4:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]O[5]CC)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(CH3)	C[5](C[5]C[5]O[5])(C[5]C[5]H)(H)	C[5](C[5]O[5]CC)(C[5]C[5]H)(H){1|C<3>}	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(CH3){1|C<3>,1|H<1>}	C[5](C[5]C[5]O[5])(C[5]C[5]H)(H){2|C<3>,2|C<4>}	110.9040	0.259	2	110.9040	0.067	2	110.9514	0.112	5	109.7044	4.135	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:2:4:4:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]O[5]CC)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)2	C[5](C[5]C[5]H)(C[5]O[5]O)(H)	C[5](C[5]O[5]CC)(C[5]C[5]H)(H){1|O<1>}	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)2{1|H<1>,1|O<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(H){2|C<4>}	110.7830	0.000	1	110.7830	0.000	1	110.9514	0.112	5	109.7044	4.135	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:2:4:4:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]O[5]CC)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CH3)2	C[5](C[5]C[5]H)(C[5]O[5]C)(H)	C[5](C[5]O[5]CC)(C[5]C[5]H)(H){1|C<3>}	C[5](C[5]C[5]H)(O[5]C[5])(CH3)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(C[5]O[5]C)(H){2|C<4>}	111.0830	0.559	2	111.0830	0.312	2	110.9514	0.112	5	109.7044	4.135	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:2:4:4:	3:3:1:	C[5]-4:C[5]-3:O-1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]O[5]CC)(C[5]C[5]H)(O)	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(CH3)	C[5](C[5]C[6a]O[5])(C[5]C[5]O)(H)	C[5](C[5]O[5]CC)(C[5]C[5]H)(O){1|C<3>}	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(CH3){1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5])(C[5]C[5]O)(H){2|C<3>,2|C<4>}	106.3370	0.000	1	106.3370	0.000	1	106.4920	0.048	2	109.7044	4.135	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:2:4:4:	3:3:1:	C[5]-4:C[5]-3:O-1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]O[5]CC)(C[5]C[5]H)(O)	C[5](C[5]C[5]O)(O[5]C[5])(CH3)2	C[5](C[5]C[5]O)(C[5]O[5]C)(H)	C[5](C[5]O[5]CC)(C[5]C[5]H)(O){1|C<4>}	C[5](C[5]C[5]O)(O[5]C[5])(CH3)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]O)(C[5]O[5]C)(H){2|C<4>}	106.6470	0.000	1	106.6470	0.000	1	106.4920	0.048	2	109.7044	4.135	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:2:4:4:	3:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]O[5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(CC3)	C[5](C[5]C[5]H)(C[5]O[5]O)(CC3)	C[5](C[5]O[5]CC)(C[5]C[5]C)(H){1|O<1>}	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(CC3){1|C<4>,1|O<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(CC3){2|C<4>}	111.4350	0.000	1	111.4350	0.000	1	111.6607	0.076	3	111.6607	0.076	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:2:4:4:	3:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]O[5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CH3)2	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)	C[5](C[5]O[5]CC)(C[5]C[5]C)(H){1|O<2>}	C[5](C[5]C[5]H)(O[5]C[5])(CH3)2{1|C<4>,1|O<2>}	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3){2|C<4>}	111.7735	0.276	2	111.7735	0.076	2	111.6607	0.076	3	111.6607	0.076	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	3:2:1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:O[5]-2:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]H)(H)	C[5](C[5]C[5]H)(C[5]O[5]H)(H)2	C[5](C[5]C[5]H)(O[5]C[5])(H)	C[5](C[5]C[5]HH)(C[5]O[5]H)(H){1|H<1>}	C[5](C[5]C[5]H)(C[5]O[5]H)(H)2{1|H<1>}	C[5](C[5]C[5]H)(O[5]C[5])(H){3|H<1>}	99.6856	0.000	1	99.6856	0.000	1	99.6856	0.000	1	112.3533	52.422	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	3:2:1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:S[5]-2:H-1:	C[5](C[5]C[5]HH)(C[5]S[5]H)(H)	C[5](C[5]C[5]H)(C[5]S[5]C)(H)2	C[5](C[5]C[5]H)(S[5]C[5])(H)	C[5](C[5]C[5]HH)(C[5]S[5]H)(H){1|C<3>}	C[5](C[5]C[5]H)(C[5]S[5]C)(H)2{1|H<1>}	C[5](C[5]C[5]H)(S[5]C[5])(H){1|C<3>,2|H<1>}	113.3640	0.000	1	115.1605	6.455	2	115.5203	3.033	4	112.3533	52.422	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	3:2:1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:S[5]-2:H-1:	C[5](C[5]C[5]HH)(C[5]S[5]H)(H)	C[5](C[5]C[5]H)(C[5]S[5]C)(H)2	C[5](C[5]C[5]H)(S[5]C[5])(H)	C[5](C[5]C[5]HH)(C[5]S[5]H)(H){1|C<4>}	C[5](C[5]C[5]H)(C[5]S[5]C)(H)2{1|H<1>}	C[5](C[5]C[5]H)(S[5]C[5])(H){1|C<4>,2|H<1>}	116.9570	0.000	1	115.1605	6.455	2	115.5203	3.033	4	112.3533	52.422	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	3:2:1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:S[5]-2:H-1:	C[5](C[5]C[5]HH)(C[5]S[5]H)(H)	C[5](C[5]C[5a]S[5])(C[5]C[5]H)(H)2	C[5](C[5]C[5]H)(S[5]C[5])(H)	C[5](C[5]C[5]HH)(C[5]S[5]H)(H){1|C<3>}	C[5](C[5]C[5a]S[5])(C[5]C[5]H)(H)2{1|C<3>,1|H<1>,1|N<3>}	C[5](C[5]C[5]H)(S[5]C[5])(H){1|C<3>,2|H<1>}	114.8490	0.000	1	114.8490	0.000	1	115.5203	3.033	4	112.3533	52.422	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	3:2:1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:S[5]-2:H-1:	C[5](C[5]C[5]HH)(C[5]S[5]H)(H)	C[5](C[5]C[6]S[5])(C[5]C[5]H)(H)2	C[5](C[5]C[5]H)(S[5]C[5])(H)	C[5](C[5]C[5]HH)(C[5]S[5]H)(H){1|C<4>}	C[5](C[5]C[6]S[5])(C[5]C[5]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]H)(S[5]C[5])(H){1|C<4>,2|H<1>}	116.9110	0.000	1	116.9110	0.000	1	115.5203	3.033	4	112.3533	52.422	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:Br-1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(Br)	C[5](C[5,6a]C[5,6a]2)(C[5]C[5]Br)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Br)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(Br){2|C<3>}	C[5](C[5,6a]C[5,6a]2)(C[5]C[5]Br)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Br)(H){2|C<3>,3|H<1>}	114.0050	0.000	1	114.0050	0.000	1	114.0050	0.000	1	110.3071	6.977	36	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:Br-1:	C[5]-3:C[5]-3:Br-1:Br-1:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]C[5]Br2)(C[5]C[5]Br)(Br)	C[5](C[5]C[5]Br)2(Br)2	C[5](C[5]C[5]Br)2(Br)	C[5](C[5]C[5]Br2)(C[5]C[5]Br)(Br){2|Br<1>}	C[5](C[5]C[5]Br)2(Br)2{2|Br<1>}	C[5](C[5]C[5]Br)2(Br){3|Br<1>}	108.2480	0.165	2	108.2480	0.027	2	108.2480	0.027	2	110.3071	6.977	36	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:Cl-1:	C[5]-3:C[5]-3:Cl-1:Cl-1:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5]C[5]Cl2)(C[5]C[5]Cl)(Cl)	C[5](C[5]C[5]Cl)2(Cl)2	C[5](C[5]C[5]Cl)2(Cl)	C[5](C[5]C[5]Cl2)(C[5]C[5]Cl)(Cl){2|Cl<1>}	C[5](C[5]C[5]Cl)2(Cl)2{2|Cl<1>}	C[5](C[5]C[5]Cl)2(Cl){3|Cl<1>}	109.3170	0.251	4	109.3170	0.063	4	109.3170	0.063	4	110.3071	6.977	36	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2{2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){2|C<3>,3|H<1>}	116.7890	0.000	1	116.7890	0.000	1	116.7890	0.000	1	110.3071	6.977	36	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)2	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H){2|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|C<3>,2|H<1>}	110.7773	0.280	3	110.7773	0.078	3	110.1108	1.631	14	110.3071	6.977	36	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)2	C[5](C[5]C[5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H)2{1|H<1>,1|O<1>}	C[5](C[5]C[5]H)(C[5]C[5]O)(H){1|C<3>,2|H<1>}	113.3620	0.000	1	113.3620	0.000	1	110.1108	1.631	14	110.3071	6.977	36	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)2	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H)2{2|H<1>}	C[5](C[5]C[5]H)2(H){1|C<4>,2|H<1>}	110.2857	0.766	3	110.2857	0.587	3	110.1108	1.631	14	110.3071	6.977	36	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5]Fe)(C[5]C[5]H)(H)2	C[5](C[5]C[5]H)(C[5]C[5]P)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H){1|Fe<8>,1|P<4>}	C[5](C[5]C[5]Fe)(C[5]C[5]H)(H)2{1|H<1>,1|P<4>}	C[5](C[5]C[5]H)(C[5]C[5]P)(H){1|Fe<8>,2|H<1>}	109.8195	0.839	2	109.8195	0.704	2	110.1108	1.631	14	110.3071	6.977	36	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(H)2	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)2(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){3|H<1>}	109.1497	0.880	3	109.1497	0.774	3	110.1108	1.631	14	110.3071	6.977	36	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(H)2	C[5](C[5]C[5]C[6])(C[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)2(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]C[6])(C[5]C[5]H)(H){1|C<6>,2|C<4>,3|H<1>}	108.9560	0.129	2	108.9560	0.017	2	110.1108	1.631	14	110.3071	6.977	36	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(C[5]N[5]H)(H)2	C[5](C[5]C[5]H)(N[5]C[5]2)(H)	C[5](C[5]C[5]HH)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]H)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]C[5]2)(H){1|C<4>,2|C<3>,3|H<1>}	109.0670	0.000	1	109.0670	0.000	1	109.6710	0.730	2	110.3071	6.977	36	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(C[5]N[5]O)(H)2	C[5](C[5]C[5]H)(N[5]C[5]N)(H)	C[5](C[5]C[5]HH)(C[5]N[5]H)(H){1|N<2>,1|O<1>}	C[5](C[5]C[5]H)(C[5]N[5]O)(H)2{1|H<1>,1|N<2>}	C[5](C[5]C[5]H)(N[5]C[5]N)(H){1|O<1>,2|H<1>}	110.2750	0.000	1	110.2750	0.000	1	109.6710	0.730	2	110.3071	6.977	36	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(N[5]C[5]N)(H)2	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](C[5]N[5]HH)(C[5]C[5]H)(H){1|N<2>,1|O<1>}	C[5](C[5]C[5]H)(N[5]C[5]N)(H)2{1|H<1>,1|O<1>}	C[5](C[5]C[5]H)(C[5]N[5]O)(H){1|N<2>,2|H<1>}	110.4490	0.000	1	110.4490	0.000	1	110.4490	0.000	1	110.3071	6.977	36	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	N[5,5a]-3:C[5]-3:H-1:H-1:	C[5,5a]-3:C[5]-3:H-1:	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	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]H)(H)	C[5](C[5]N[5,5a]HH)(C[5]C[5,5a]H)(H){2|C<3>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]H)(H)2{1|H<1>,3|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]H)(H){2|C<3>,3|H<1>}	111.8070	0.000	1	111.3903	0.149	3	111.3903	0.149	3	110.3071	6.977	36	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	N[5,5a]-3:C[5]-3:H-1:H-1:	C[5,5a]-3:C[5]-3:H-1:	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	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]H)(H)	C[5](C[5]N[5,5a]HH)(C[5]C[5,5a]H)(H){2|C<3>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]H)(H)2{2|C<3>,2|H<1>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]H)(H){2|C<3>,3|H<1>}	111.1820	0.194	2	111.3903	0.149	3	111.3903	0.149	3	110.3071	6.977	36	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]HH)(C[5]C[5]H)(H)	C[5](N[5]C[5]Ti)(C[5]C[5]H)(H)2	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]N[5]HH)(C[5]C[5]H)(H){1|Ti<6>,1|C<4>}	C[5](N[5]C[5]Ti)(C[5]C[5]H)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|Ti<6>,2|H<1>}	108.8180	0.000	1	108.8180	0.000	1	108.8180	0.000	1	110.3071	6.977	36	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	S[5]-3:C[5]-3:H-1:H-1:	S[5]-3:C[5]-3:H-1:	C[5](C[5]S[5]HH)(C[5]S[5]H)(H)	C[5](S[5]S[5]Ru)(C[5]C[5]H)(H)2	C[5](S[5]S[5]Ru)(C[5]C[5]H)(H)	C[5](C[5]S[5]HH)(C[5]S[5]H)(H){2|Ru<6>}	C[5](S[5]S[5]Ru)(C[5]C[5]H)(H)2{1|Ru<6>,1|H<1>}	C[5](S[5]S[5]Ru)(C[5]C[5]H)(H){1|Ru<6>,2|H<1>}	121.3870	0.000	1	121.3870	0.000	1	121.3870	0.000	1	110.3071	6.977	36	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:O-1:	C[5,5]-3:C[5]-3:H-1:H-1:	C[5,5]-3:C[5]-3:H-1:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(O)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]O)(H)2	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]O)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(O){1|C<3>,1|C<4>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]O)(H)2{2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]O)(H){1|C<3>,1|C<4>,4|H<1>}	108.6250	0.000	2	108.6250	0.000	2	108.6250	0.000	2	110.3071	6.977	36	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:O-1:	C[5,5a]-3:C[5]-3:H-1:H-1:	C[5,5a]-3:C[5]-3:O-1:	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]O)(O)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]O)(H)2	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]O)(O)	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]O)(O){1|C<3>,1|N<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]O)(H)2{1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]O)(O){1|C<4>,2|C<3>,2|H<1>}	109.9250	0.000	1	109.9250	0.000	1	109.9250	0.000	1	110.3071	6.977	36	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:O-1:	C[5,6]-3:C[5]-3:H-1:H-1:	C[5,6]-3:C[5]-3:H-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(O)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]O)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(O){1|C<3>,1|C<4>}	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]O)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(H){1|C<3>,1|N<3>,4|H<1>}	107.7290	0.047	2	107.7290	0.002	2	107.7290	0.002	2	110.3071	6.977	36	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:O-1:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(O){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)(C[5]C[5]O)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(H){1|C<3>,2|H<1>}	108.1460	0.000	1	108.1460	0.000	1	108.1460	0.000	1	110.3071	6.977	36	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	3:3:2:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:S-2:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]S)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(SC[6a])	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]S)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2{1|H<1>,1|S<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(SC[6a]){2|C<3>,3|H<1>}	111.3450	0.000	1	111.3450	0.000	1	111.3450	0.000	1	111.3450	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	3:3:3:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCO)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2{1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCO){2|C<3>,3|H<1>}	111.6080	0.000	1	111.6080	0.000	1	111.6080	0.000	1	108.7012	4.891	20	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	3:3:3:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:N-3:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(NCS)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(NCS){2|C<3>,3|H<1>}	110.4210	0.000	1	110.4210	0.000	1	110.1800	0.116	2	108.7012	4.891	20	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	3:3:3:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:N-3:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]H)(NCS)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]H)(NCS){2|H<1>,3|C<3>}	109.9390	0.000	1	109.9390	0.000	1	110.1800	0.116	2	108.7012	4.891	20	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	3:3:3:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:P-3:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]2)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2{1|C<4>,1|P<3>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]2){1|C<4>,2|C<3>,2|H<1>}	112.5850	0.000	1	112.5850	0.000	1	112.2030	0.292	2	108.7012	4.891	20	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	3:3:3:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:P-3:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PClN)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2{1|H<1>,1|P<3>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PClN){2|C<3>,3|H<1>}	111.8210	0.000	1	111.8210	0.000	1	112.2030	0.292	2	108.7012	4.891	20	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	3:3:3:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:P-3:C[5]-3:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(PC[5x3,5x5,20x6]N)(C[5]C[5]H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2{1|H<1>,1|P<3>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(PC[5x3,5x5,20x6]N)(C[5]C[5]H){2|C<3>,3|H<1>}	111.8640	0.000	1	111.8640	0.000	1	111.8640	0.000	1	108.7012	4.891	20	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	3:3:3:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:H-1:	C-3:N[5]-3:C[5]-3:	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H)2	C[5](CC[5a]C[6a])(N[5]C[5]Ir)(C[5]C[5]H)	C[5](C[5]C[5]HH)(C[5]N[5]C)(H){1|Ir<5>,1|C<3>}	C[5](C[5]C[5]H)(C[5]N[5]C)(H)2{1|Ir<5>,1|C<3>}	C[5](CC[5a]C[6a])(N[5]C[5]Ir)(C[5]C[5]H){1|C<3>,2|H<1>}	108.0360	0.000	1	108.0360	0.000	1	108.0360	0.000	1	108.7012	4.891	20	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	3:3:3:	C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:N-3:	C[5](C[5]N[5]HH)(C[5]C[5]N)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2	C[5](C[5]C[5]H)(C[5]N[5]O)(NCH)	C[5](C[5]N[5]HH)(C[5]C[5]N)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2{1|N<3>,1|O<1>}	C[5](C[5]C[5]H)(C[5]N[5]O)(NCH){1|C<3>,2|H<1>}	110.4630	0.000	1	110.4630	0.000	1	110.4630	0.000	1	108.7012	4.891	20	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	3:3:3:	C[5]-4:C[5]-3:O-1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]C)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)2{1|C<4>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]C){1|N<2>,2|C<3>,2|H<1>}	108.0670	0.000	1	108.0670	0.000	1	108.8498	0.297	4	108.7012	4.891	20	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	3:3:3:	C[5]-4:C[5]-3:O-1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]N)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)2{1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]N){2|C<3>,3|H<1>}	109.1107	0.191	3	109.1107	0.036	3	108.8498	0.297	4	108.7012	4.891	20	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	3:3:3:	C[5]-4:C[5]-3:O-1:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]O)(N[5]C[5]C)(H)2	C[5](C[5]C[5]O)(C[5]N[5]O)(CC[6a]O)	C[5](C[5]N[5]HH)(C[5]C[5]C)(O){1|C<4>,1|O<1>}	C[5](C[5]C[5]O)(N[5]C[5]C)(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[5]O)(C[5]N[5]O)(CC[6a]O){1|C<4>,2|H<1>}	106.4601	0.474	7	106.4601	0.225	7	106.4601	0.225	7	108.7012	4.891	20	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	3:3:3:	C[5]-4:C[5]-3:O-1:	N[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]HH)(C[5]C[5]C)(O)	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(H)2	C[5](C[5]C[5]O)(C[5]N[5]O)(CCO)	C[5](C[5]N[5]HH)(C[5]C[5]C)(O){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(H)2{1|O<1>,3|C<3>}	C[5](C[5]C[5]O)(C[5]N[5]O)(CCO){1|C<3>,2|H<1>}	106.6670	0.000	1	106.6670	0.000	1	106.6670	0.000	1	108.7012	4.891	20	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	3:3:4:	C[5]-4:C[5]-3:H-1:	C[5,5a]-3:C[5]-3:H-1:H-1:	C[5,5a]-3:C[5]-3:C-4:	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]C)(H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]H)(H)2	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]H)(CCHH)	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]C)(H){1|C<3>,1|N<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]H)(CCHH){1|C<4>,2|C<3>,2|H<1>}	112.9560	0.000	1	112.9560	0.000	1	112.9560	0.000	1	111.0800	2.793	20	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	3:3:4:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCHH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCHH){2|C<3>,3|H<1>}	111.7204	0.520	5	111.7204	0.270	5	111.6964	0.188	7	111.0800	2.793	20	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	3:3:4:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[5a]HH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[5a]HH){2|C<3>,3|H<1>}	111.5020	0.000	1	111.5020	0.000	1	111.6964	0.188	7	111.0800	2.793	20	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	3:3:4:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]HH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]HH){2|C<3>,3|H<1>}	111.7710	0.000	1	111.7710	0.000	1	111.6964	0.188	7	111.0800	2.793	20	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	3:3:4:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:P-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PAuCC)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2{1|H<1>,1|P<4>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PAuCC){2|C<3>,3|H<1>}	111.3620	0.360	3	111.3620	0.130	3	111.3620	0.130	3	111.0800	2.793	20	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	3:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)2	C[5](C[5]C[5]H)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]H)(C[5]C[5]O)(CH3){1|C<3>,2|H<1>}	114.4740	0.000	1	114.4740	0.000	1	110.6167	6.855	4	111.0800	2.793	20	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	3:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)2(H)2	C[5](C[5]C[5]C)(C[5]C[5]H)(CCHH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)2(H)2{2|C<4>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CCHH){3|H<1>}	109.6765	0.105	2	109.6765	0.011	2	110.6167	6.855	4	111.0800	2.793	20	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	3:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)2(H)2	C[5](C[5]C[5]H)2(CC[6a]CH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){2|H<1>}	C[5](C[5]C[5]H)2(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]H)2(CC[6a]CH){3|H<1>}	108.6400	0.000	1	108.6400	0.000	1	110.6167	6.855	4	111.0800	2.793	20	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	3:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2	C[5](C[5]C[5]H)(C[5]N[5]O)(CC[6a]CH)	C[5](C[5]N[5]HH)(C[5]C[5]C)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]H)(C[5]N[5]O)(CC[6a]CH){1|C<3>,2|H<1>}	112.2340	0.000	1	112.2340	0.000	1	112.3525	0.028	2	111.0800	2.793	20	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	3:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2	C[5](C[5]C[5]H)(C[5]N[5]O)(CC[6a]CO)	C[5](C[5]N[5]HH)(C[5]C[5]C)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]H)(C[5]N[5]O)(CC[6a]CO){1|C<3>,2|H<1>}	112.4710	0.000	1	112.4710	0.000	1	112.3525	0.028	2	111.0800	2.793	20	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	3:3:4:	C[5]-4:C[5]-3:O-1:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(H)2	C[5](C[5]C[5]2)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)(C[5]C[5]O)(H)2{2|C<4>}	C[5](C[5]C[5]2)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	108.4880	0.000	1	108.4880	0.000	1	108.2130	0.151	2	111.0800	2.793	20	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	3:3:4:	C[5]-4:C[5]-3:O-1:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)(C[5]C[5]O)(H)2{2|C<4>}	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3){1|C<3>,2|H<1>}	107.9380	0.000	1	107.9380	0.000	1	108.2130	0.151	2	111.0800	2.793	20	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	3:3:4:	C[5]-4:C[5]-3:O-1:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:Si-4:	C[5](C[5]C[5]HH)(C[5]C[5]Si)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(H)2	C[5](C[5]C[5]H)(C[5]C[5]O)(SiC3)	C[5](C[5]C[5]HH)(C[5]C[5]Si)(O){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(H)2{1|Si<4>,1|H<1>}	C[5](C[5]C[5]H)(C[5]C[5]O)(SiC3){1|C<3>,2|H<1>}	109.0850	0.000	1	109.0850	0.000	1	109.0850	0.000	1	111.0800	2.793	20	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:Br-1:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:I-1:	C[5](C[5]N[5]HH)(C[5]C[5]I)(Br)	C[5](C[5]C[5]Br)(N[5]C[5]S)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]Br)(I)	C[5](C[5]N[5]HH)(C[5]C[5]I)(Br){1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[5]Br)(N[5]C[5]S)(H)2{1|C<3>,1|H<1>,1|I<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]Br)(I){1|S<4>,2|C<3>,2|H<1>}	113.4760	0.000	1	113.4760	0.000	1	113.4760	0.000	1	112.6822	7.210	23	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]N[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(N[5]C[5]2)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]H)(H)	C[5](C[5]N[5]HH)(C[5]C[5]H)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]H)(N[5]C[5]2)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]H)(H){1|C<3>,2|H<1>}	112.3490	0.344	2	112.3490	0.118	2	112.2527	0.110	12	112.6822	7.210	23	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]N[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]H)(H)	C[5](C[5]N[5]HH)(C[5]C[5]H)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]H)(H){2|H<1>,3|C<3>}	111.9720	0.226	2	111.9720	0.051	2	112.2527	0.110	12	112.6822	7.210	23	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]N[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2	C[5](C[5]N[5]CC)(C[5]C[5]H)(H)	C[5](C[5]N[5]HH)(C[5]C[5]H)(H){1|C<3>,2|C<4>}	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2{1|H<1>,2|C<4>}	C[5](C[5]N[5]CC)(C[5]C[5]H)(H){1|C<3>,2|H<1>}	112.2690	0.000	1	112.2690	0.000	1	112.2527	0.110	12	112.6822	7.210	23	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]N[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]H)(H)	C[5](C[5]N[5]HH)(C[5]C[5]H)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2{3|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]H)(H){1|C<3>,2|H<1>}	112.2512	0.191	4	112.2512	0.036	4	112.2527	0.110	12	112.6822	7.210	23	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]N[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(N[5]C[5]S)(H)2	C[5](C[5]N[5]CH)(C[5]C[5]H)(H)	C[5](C[5]N[5]HH)(C[5]C[5]H)(H){1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[5]H)(N[5]C[5]S)(H)2{1|C<3>,2|H<1>}	C[5](C[5]N[5]CH)(C[5]C[5]H)(H){1|S<4>,2|H<1>}	111.8750	0.000	1	111.8750	0.000	1	112.2527	0.110	12	112.6822	7.210	23	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]N[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(N[5]C[5]S)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]H)(H)	C[5](C[5]N[5]HH)(C[5]C[5]H)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]H)(N[5]C[5]S)(H)2{3|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]H)(H){1|S<4>,2|H<1>}	112.6205	0.586	2	112.6205	0.344	2	112.2527	0.110	12	112.6822	7.210	23	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-3:S[5]-3:Cl-1:H-1:	C[5]-4:C[5]-3:H-1:	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)	C[5](C[5]S[5]ClH)(C[5]C[5]H)(H)	C[5](C[5]S[5]ClH)(C[5]C[5]H)(H){1|Cl<1>,1|H<1>,1|O<1>}	C[5](C[5]C[5]H)(S[5]C[5]O)(Cl)(H){1|Cl<1>,2|H<1>}	C[5](C[5]S[5]ClH)(C[5]C[5]H)(H){1|Cl<1>,1|H<1>,1|O<1>}	116.0625	0.392	2	116.0625	0.154	2	116.0625	0.154	2	112.6822	7.210	23	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	O[5]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]O[5]HH)(C[5]C[5]H)(H)	C[5](O[5]C[5]Al)(C[5]C[5]H)(H)2	C[5](C[5]O[5]HH)(C[5]C[5]H)(H)	C[5](C[5]O[5]HH)(C[5]C[5]H)(H){1|Al<4>,2|H<1>}	C[5](O[5]C[5]Al)(C[5]C[5]H)(H)2{3|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]H)(H){1|Al<4>,2|H<1>}	108.2245	1.654	2	108.2245	2.735	2	108.5738	3.865	4	112.6822	7.210	23	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	O[5]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]O[5]HH)(C[5]C[5]H)(H)	C[5](O[5]C[5]Zr)(C[5]C[5]H)(H)2	C[5](C[5]O[5]HH)(C[5]C[5]H)(H)	C[5](C[5]O[5]HH)(C[5]C[5]H)(H){1|Zr<9>,2|H<1>}	C[5](O[5]C[5]Zr)(C[5]C[5]H)(H)2{3|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]H)(H){1|Zr<9>,2|H<1>}	108.9230	2.893	2	108.9230	8.372	2	108.5738	3.865	4	112.6822	7.210	23	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	P[5]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]P[5]HH)(C[5]C[5]H)(H)	C[5](P[5]C[6a]C[5])(C[5]C[5]H)(H)2	C[5](C[5]P[5]HH)(C[5]C[5]H)(H)	C[5](C[5]P[5]HH)(C[5]C[5]H)(H){1|C<3>,2|H<1>}	C[5](P[5]C[6a]C[5])(C[5]C[5]H)(H)2{2|C<3>,3|H<1>}	C[5](C[5]P[5]HH)(C[5]C[5]H)(H){1|C<3>,2|H<1>}	116.1908	1.032	4	116.1908	1.066	4	116.1908	1.066	4	112.6822	7.210	23	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	4:3:2:	C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-2:	C[5](C[5]N[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5]S)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]H)(CC)	C[5](C[5]N[5]HH)(C[5]C[5]C)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]H)(N[5]C[5]S)(H)2{1|C<2>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]H)(CC){1|S<4>,2|H<1>}	112.0300	0.000	1	112.0300	0.000	1	112.0300	0.000	1	112.0300	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:H-1:	C-4:C[5]-3:C[5]-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)2	C[5](CC[6a]2C[5])(C[5]C[5]H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H)2{1|C<4>,1|H<1>}	C[5](CC[6a]2C[5])(C[5]C[5]H)2{1|C<4>,2|H<1>}	109.7490	0.000	1	109.7490	0.000	1	110.3697	0.290	3	110.6651	6.571	20	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:H-1:	C-4:C[5]-3:C[5]-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)2(H)2	C[5](CC[3x3,4,3x5,14x6]CC)(C[5]C[5]H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){2|H<1>}	C[5](C[5]C[5]H)2(H)2{1|C<4>,1|H<1>}	C[5](CC[3x3,4,3x5,14x6]CC)(C[5]C[5]H)2{3|H<1>}	110.6410	0.000	1	110.6410	0.000	1	110.3697	0.290	3	110.6651	6.571	20	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:H-1:	C-4:C[5]-3:C[5]-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)2(H)2	C[5](CC[5a]C[6a]2)(C[5]C[5]H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){2|H<1>}	C[5](C[5]C[5]H)2(H)2{1|C<4>,1|H<1>}	C[5](CC[5a]C[6a]2)(C[5]C[5]H)2{3|H<1>}	110.7190	0.000	1	110.7190	0.000	1	110.3697	0.290	3	110.6651	6.571	20	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]N[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5]P)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]H)(COO)	C[5](C[5]N[5]HH)(C[5]C[5]C)(H){1|C<3>,1|H<1>,1|P<4>}	C[5](C[5]C[5]H)(N[5]C[5]P)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]H)(COO){1|P<4>,2|C<3>,2|H<1>}	112.6620	0.000	1	112.6620	0.000	1	112.2878	0.599	5	110.6651	6.571	20	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]N[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5]S)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]H)(COO)	C[5](C[5]N[5]HH)(C[5]C[5]C)(H){1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[5]H)(N[5]C[5]S)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]H)(COO){1|S<4>,2|C<3>,2|H<1>}	111.7877	0.345	3	111.7877	0.119	3	112.2878	0.599	5	110.6651	6.571	20	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]N[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5]S)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]H)(CCH)	C[5](C[5]N[5]HH)(C[5]C[5]C)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]H)(N[5]C[5]S)(H)2{1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]H)(CCH){1|S<4>,2|H<1>}	113.4140	0.000	1	113.4140	0.000	1	112.2878	0.599	5	110.6651	6.571	20	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5]N[5]HH)(C[5]C[5]2)(H)	C[5](C[5]C[5]H)(N[5]C[5]S)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]2)(C[5]C[5]H)	C[5](C[5]N[5]HH)(C[5]C[5]2)(H){1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]H)(N[5]C[5]S)(H)2{1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]2)(C[5]C[5]H){1|O<1>,1|S<4>,2|H<1>,3|C<4>}	113.8800	0.000	1	113.8800	0.000	1	113.8800	0.000	1	110.6651	6.571	20	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	N[5,5]-3:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5](C[5]N[5,5]HH)(C[5]C[5,5]C)(H)	C[5](N[5,5]C[5,5]S[5])(C[5]C[5]H)(H)2	C[5](C[5,5]C[5,6a]N[5,5]C[6a])(C[5]C[5]H)(COO)	C[5](C[5]N[5,5]HH)(C[5]C[5,5]C)(H){1|S<4>,2|C<3>}	C[5](N[5,5]C[5,5]S[5])(C[5]C[5]H)(H)2{2|O<1>,4|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]C[6a])(C[5]C[5]H)(COO){1|S<4>,2|H<1>,4|C<3>}	112.5930	0.000	1	112.5930	0.000	1	112.5930	0.000	1	110.6651	6.571	20	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	N[5,6]-3:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5](C[5]N[5,6]HH)(C[5]C[5,6]C)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]H)(H)2	C[5](C[5,6]C[6,6a]N[5,6]C)(C[5]C[5]H)(COO)	C[5](C[5]N[5,6]HH)(C[5]C[5,6]C)(H){1|C<4>,2|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]H)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,6]C[6,6a]N[5,6]C)(C[5]C[5]H)(COO){2|H<1>,3|C<3>}	113.5130	0.000	2	113.5130	0.000	2	112.7670	0.758	4	110.6651	6.571	20	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	N[5,6]-3:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5](C[5]N[5,6]HH)(C[5]C[5,6]C)(H)	C[5](N[5,6]C[5,6]S[6])(C[5]C[5]H)(H)2	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]H)(COO)	C[5](C[5]N[5,6]HH)(C[5]C[5,6]C)(H){1|C<3>,1|H<1>,1|S<4>}	C[5](N[5,6]C[5,6]S[6])(C[5]C[5]H)(H)2{1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]H)(COO){1|S<4>,2|C<3>,2|H<1>}	112.0210	0.218	2	112.0210	0.047	2	112.7670	0.758	4	110.6651	6.571	20	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	4:3:3:	C[5]-4:C[5]-3:O-1:	C[5]-3:C[5]-3:H-1:H-1:	P-4:C[5]-3:C[5]-3:	C[5](C[5]C[5]HH)(C[5]C[5]P)(O)	C[5](C[5]C[5]O)2(H)2	C[5](PC[6a]2Fe)(C[5]C[5]O)(C[5]C[5]P)	C[5](C[5]C[5]HH)(C[5]C[5]P)(O){1|O<1>,1|P<4>}	C[5](C[5]C[5]O)2(H)2{2|P<4>}	C[5](PC[6a]2Fe)(C[5]C[5]O)(C[5]C[5]P){1|O<1>,2|H<1>}	107.1130	0.252	2	107.1130	0.063	2	107.2023	0.502	6	110.6651	6.571	20	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	4:3:3:	C[5]-4:C[5]-3:O-1:	C[5]-3:C[5]-3:H-1:H-1:	P-4:C[5]-3:C[5]-3:	C[5](C[5]C[5]HH)(C[5]C[5]P)(O)	C[5](C[5]C[5]O)2(H)2	C[5](PC[6a]2Os)(C[5]C[5]O)(C[5]C[5]P)	C[5](C[5]C[5]HH)(C[5]C[5]P)(O){1|O<1>,1|P<4>}	C[5](C[5]C[5]O)2(H)2{2|P<4>}	C[5](PC[6a]2Os)(C[5]C[5]O)(C[5]C[5]P){1|O<1>,2|H<1>}	107.1450	1.072	3	107.1450	1.149	3	107.2023	0.502	6	110.6651	6.571	20	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	4:3:3:	C[5]-4:C[5]-3:O-1:	C[5]-3:C[5]-3:H-1:H-1:	P-4:C[5]-3:C[5]-3:	C[5](C[5]C[5]HH)(C[5]C[5]P)(O)	C[5](C[5]C[5]O)2(H)2	C[5](PC[6a]Os2)(C[5]C[5]O)(C[5]C[5]P)	C[5](C[5]C[5]HH)(C[5]C[5]P)(O){1|O<1>,1|P<4>}	C[5](C[5]C[5]O)2(H)2{2|P<4>}	C[5](PC[6a]Os2)(C[5]C[5]O)(C[5]C[5]P){1|O<1>,2|H<1>}	107.5530	0.000	1	107.5530	0.000	1	107.2023	0.502	6	110.6651	6.571	20	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	4:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]H)(CCCH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){1|O<1>,2|C<4>}	C[5](C[5]C[5]H)(C[5]C[5]O)(H)2{3|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]H)(CCCH){1|O<1>,2|H<1>}	114.5550	0.000	1	114.5550	0.000	1	114.5550	0.000	1	113.5303	1.590	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	4:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]N[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2	C[5](C[5]C[6a]N[5]C)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]HH)(C[5]C[5]C)(H){3|C<3>}	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2{1|C<4>,2|C<3>}	C[5](C[5]C[6a]N[5]C)(C[5]C[5]H)(CH3){2|H<1>,3|C<3>}	113.8930	0.146	2	113.8930	0.021	2	113.6343	0.211	3	113.5303	1.590	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	4:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]N[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5]S)(H)2	C[5](C[5]N[5]CH)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]HH)(C[5]C[5]C)(H){1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[5]H)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]N[5]CH)(C[5]C[5]H)(CCHH){1|S<4>,2|H<1>}	113.1170	0.000	1	113.1170	0.000	1	113.6343	0.211	3	113.5303	1.590	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:1:1:	4:3:4:	C[5]-4:C[5]-3:H-1:	N[5,5]-3:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5](C[5]N[5,5]HH)(C[5]C[5,5]C)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]H)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]H)(CHHO)	C[5](C[5]N[5,5]HH)(C[5]C[5,5]C)(H){1|H<1>,2|C<4>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]H)(H)2{3|C<4>,3|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]H)(CHHO){1|O<2>,2|C<4>,3|H<1>}	112.8620	2.356	2	112.8620	5.551	2	112.8620	5.551	2	113.5303	1.590	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:2:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:O-2:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HO)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(OH)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5]HO)(C[5]C[5]H)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(OH)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]H)(C[5]C[5]O)(H){1|C<3>,1|H<1>,1|O<2>}	112.6750	0.000	1	112.6750	0.000	1	112.6750	0.000	1	114.0957	16.244	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:2:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:O-2:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]HO)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(OC)(H)	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](C[5]N[5]HO)(C[5]C[5]H)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]H)(N[5]C[5]C)(OC)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<2>}	110.9680	0.000	1	110.9680	0.000	1	110.9680	0.000	1	114.0957	16.244	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:2:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	N[6a]-3:C[5]-3:Se[5]-2:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]N[6a]Se[5]H)(C[5]C[5]H)(H)	C[5](N[6a]C[6a]2)(C[5]C[5]H)(Se[5]C[5])(H)	C[5](C[5]Se[5]C)(C[5]C[5]H)(H)	C[5](C[5]N[6a]Se[5]H)(C[5]C[5]H)(H){1|C<4>,2|C<3>}	C[5](N[6a]C[6a]2)(C[5]C[5]H)(Se[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5]Se[5]C)(C[5]C[5]H)(H){1|H<1>,1|N<3>}	118.6440	0.000	1	118.6440	0.000	1	118.6440	0.000	1	114.0957	16.244	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:2:1:	3:3:2:	C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(H)	C[5](C[5]C[5]H)(C[5]O[5]C)(OC)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]O)(H){3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5](C[5]C[5]H)(C[5]O[5]C)(OC){1|C<3>,1|H<1>}	107.4960	0.000	1	107.4960	0.000	1	107.4960	0.000	1	107.1955	0.181	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:2:1:	3:3:2:	C[5]-4:C[5]-3:O-1:	C[5,6]-3:C[5]-3:O-2:I-1:	C[5,6]-3:C[5]-3:N-2:	C[5](C[5]C[5,6]IO)(C[5]C[5,6]N)(O)	C[5](C[5,6]C[5,6]2)(C[5]C[5]O)(OC[5])(I)	C[5](C[5,6]C[5,6]2)(C[5]C[5]O)(NC[6a])	C[5](C[5]C[5,6]IO)(C[5]C[5,6]N)(O){2|C<4>}	C[5](C[5,6]C[5,6]2)(C[5]C[5]O)(OC[5])(I){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	C[5](C[5,6]C[5,6]2)(C[5]C[5]O)(NC[6a]){1|C<4>,1|I<1>,2|C<3>,2|O<2>}	106.8950	0.000	1	106.8950	0.000	1	106.8950	0.000	1	107.1955	0.181	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:2:1:	3:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:O-2:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]HO)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(OC)(H)	C[5](C[5]C[5]H)(C[5]N[5]O)(CH3)	C[5](C[5]N[5]HO)(C[5]C[5]C)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]H)(N[5]C[5]C)(OC)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]H)(C[5]N[5]O)(CH3){1|C<3>,1|H<1>,1|O<2>}	111.6470	0.000	1	111.6470	0.000	1	111.6470	0.000	1	110.3598	4.453	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:2:1:	3:3:4:	C[5]-4:C[5]-3:H-1:	C[5a]-3:C[5]-3:O[5]-2:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5a]O[5]H)(C[5]C[5]C)(H)	C[5](C[5a]C[5a]2)(C[5]C[5]H)(O[5]C[5])(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHH)	C[5](C[5]C[5a]O[5]H)(C[5]C[5]C)(H){1|O<1>,2|C<3>}	C[5](C[5a]C[5a]2)(C[5]C[5]H)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHH){1|C<3>,1|H<1>}	110.7770	0.000	1	110.7770	0.000	1	110.7770	0.000	1	110.3598	4.453	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:2:1:	3:3:4:	C[5]-4:C[5]-3:I-1:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(I)	C[5](C[6a]C[6a]2)(C[5]C[5]I)(O[5]C[5])(H)	C[5](C[5]C[5]I)(C[5]O[5]O)(CCHH)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(I){1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]I)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]I)(C[5]O[5]O)(CCHH){1|C<3>,1|H<1>}	111.7520	0.000	1	111.7520	0.000	1	111.7520	0.000	1	110.3598	4.453	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:2:1:	3:3:4:	C[5]-4:C[5]-3:O-1:	C[5]-3:C[5]-3:O-2:H-1:	C[5]-3:C[5]-3:Si-4:	C[5](C[5]C[5]HO)(C[5]C[5]Si)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(OC)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(SiC3)	C[5](C[5]C[5]HO)(C[5]C[5]Si)(O){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)(C[5]C[5]O)(OC)(H){1|Si<4>,1|C<4>}	C[5](C[5]C[5]C)(C[5]C[5]O)(SiC3){1|C<3>,1|H<1>,1|O<2>}	107.2630	0.000	1	107.2630	0.000	1	107.2630	0.000	1	110.3598	4.453	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:2:1:	3:4:3:	C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]O[5]H)(C[5]C[6a]C[5])(H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]H)(O[5]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]H)	C[5](C[5]C[6a]O[5]H)(C[5]C[6a]C[5])(H){6|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]H)(O[5]C[5])(H){1|H<1>,6|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]H){3|C<3>,3|H<1>}	111.3195	0.173	2	111.3195	0.030	2	112.3517	0.758	7	112.3517	0.758	7	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:2:1:	3:4:3:	C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]O[5]H)(C[5]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]H)	C[5](C[5]C[6a]O[5]H)(C[5]C[6a]C[5])(H){2|C<2>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(H){2|C<2>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]H){3|C<3>,3|H<1>}	113.0005	0.374	4	113.0005	0.140	4	112.3517	0.758	7	112.3517	0.758	7	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:2:1:	3:4:3:	C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]O[5]H)(C[5]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]H)	C[5](C[5]C[6a]O[5]H)(C[5]C[6a]C[5])(H){2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(H){1|O<2>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]H){3|C<3>,3|H<1>}	111.8210	0.000	1	111.8210	0.000	1	112.3517	0.758	7	112.3517	0.758	7	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:2:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	N[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]H)(H)	C[5](N[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(H)	C[5](C[5]O[5]CH)(C[5]C[5]H)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5]O[5]CH)(C[5]C[5]H)(H){1|H<1>,1|N<3>}	109.4350	0.000	1	109.4350	0.000	1	109.4350	0.000	1	109.4350	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:2:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(H)	C[5](C[5]O[5]CC)(C[5]C[5]H)(COO)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(H){2|C<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(H){2|C<2>,2|H<1>,3|C<3>}	C[5](C[5]O[5]CC)(C[5]C[5]H)(COO){1|C<3>,1|H<1>}	111.5900	0.000	1	111.5900	0.000	1	111.5900	0.000	1	111.5900	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:2:2:	3:3:2:	C[5]-4:C[5]-3:O-1:	C[5,6]-3:C[5]-3:C-2:C-2:	C[5,6]-3:C[5]-3:C-2:	C[5](C[5]C[5,6]CC)(C[5]C[5,6]C)(O)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CN)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CN)	C[5](C[5]C[5,6]CC)(C[5]C[5,6]C)(O){1|C<3>,1|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CN)2{1|C<2>,1|C<4>,2|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CN){2|C<2>,4|C<3>}	106.1693	0.774	3	106.1693	0.599	3	106.1693	0.599	3	106.1693	0.599	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:2:2:	3:3:3:	C[5]-4:C[5]-3:O-1:	C[6a]-3:C[5]-3:O[5]-2:O-2:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[6a]O[5]O)(C[5]C[5]C)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(O[5]C[5])(OH)	C[5](C[5]C[5]O)(C[5]O[5]C)(CCO)	C[5](C[5]C[6a]O[5]O)(C[5]C[5]C)(O){1|C<4>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]O)(O[5]C[5])(OH){1|C<4>,2|F<1>,3|C<3>}	C[5](C[5]C[5]O)(C[5]O[5]C)(CCO){1|C<3>,1|O<2>}	105.2360	0.000	1	105.2360	0.000	1	105.2360	0.000	1	106.6713	1.545	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:2:2:	3:3:3:	C[5]-4:C[5]-3:O-1:	C[6a]-3:C[5]-3:O[5]-2:O-2:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]O[5]O)(C[5]C[6a]C[5])(O)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(O[5]C[5])(OH)	C[5](C[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5]C[6a]O[5]O)(C[5]C[6a]C[5])(O){5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]O)(O[5]C[5])(OH){2|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]O){1|H<1>,1|N<2>,1|O<2>,5|C<3>}	107.3890	0.000	2	107.3890	0.000	2	107.3890	0.000	2	106.6713	1.545	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:2:4:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:O[5]-2:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]O[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]2)(C[5]C[5]H)(O[5]C[5])(CH3)	C[5](C[5]C[5]H)(C[5]O[5]O)(H)	C[5](C[5]C[5]O[5]C)(C[5]C[5]H)(H){1|O<1>,2|C<3>}	C[5](C[5]C[5]2)(C[5]C[5]H)(O[5]C[5])(CH3){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(H){1|C<3>,1|C<4>}	110.4595	0.268	2	110.4595	0.072	2	110.4595	0.072	2	110.4595	0.072	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:2:4:	3:3:3:	C[5]-4:C[5]-3:H-1:	C[5a]-3:C[5]-3:O[5]-2:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5a]O[5]C)(C[5]C[6a]C[5])(H)	C[5](C[5a]C[5a]S[5a])(C[5]C[5]H)(O[5]C[5])(CF3)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]O[5]N)	C[5](C[5]C[5a]O[5]C)(C[5]C[6a]C[5])(H){1|N<2>,1|S<2>,3|C<3>}	C[5](C[5a]C[5a]S[5a])(C[5]C[5]H)(O[5]C[5])(CF3){1|H<1>,1|N<2>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]O[5]N){1|C<4>,2|H<1>,3|C<3>}	110.9540	0.000	1	110.9540	0.000	1	110.9540	0.000	1	110.9063	0.099	7	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:2:4:	3:3:3:	C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[6a]O[5]C)(C[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(CCHH)	C[5](C[5]C[5]H)(C[5]O[5]O)(COO)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]C)(H){1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(CCHH){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5]H)(C[5]O[5]O)(COO){1|C<3>,1|C<4>}	110.4760	0.000	1	110.4760	0.000	1	110.4760	0.000	1	110.9063	0.099	7	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:2:4:	3:3:3:	C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]O[5]C)(C[5]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(CCHH)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]O[5]O)	C[5](C[5]C[6a]O[5]C)(C[5]C[6a]C[5])(H){1|O<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(CCHH){1|O<1>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]O[5]O){1|C<4>,2|H<1>,3|C<3>}	111.4110	0.000	1	111.4110	0.000	1	110.9828	0.094	5	110.9063	0.099	7	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:2:4:	3:3:3:	C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]O[5]C)(C[5]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(CF3)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]O[5]N)	C[5](C[5]C[6a]O[5]C)(C[5]C[6a]C[5])(H){1|N<2>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(CF3){1|N<2>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]O[5]N){1|C<4>,2|H<1>,3|C<3>}	110.8757	0.221	4	110.8757	0.049	4	110.9828	0.094	5	110.9063	0.099	7	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:3:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:B-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	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)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)	C[5](C[5]C[5,6a]BH)(C[5]C[5,6a]H)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(BNN)(H){2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|B<3>,2|C<3>,2|H<1>}	111.5610	0.000	1	111.5610	0.000	1	111.5610	0.000	1	109.5547	1.971	12	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:3:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:P-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]HP)(C[5]C[5,6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)	C[5](C[5]C[5,6a]HP)(C[5]C[5,6a]H)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[5]2)(H){2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|P<3>,2|C<3>,2|H<1>}	110.8410	0.250	3	110.8410	0.063	3	110.8410	0.063	3	109.5547	1.971	12	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:3:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:P[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]P[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(P[5]N[5]2)(H)	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]P[5]H)(C[5]C[5]H)(H){2|H<1>,2|N<3>}	C[5](C[5]C[5]H)2(P[5]N[5]2)(H){2|H<1>,4|C<3>}	C[5](C[5]C[5]H)2(H){1|P<3>,2|H<1>}	108.7950	0.315	2	108.7950	0.099	2	108.7950	0.099	2	109.5547	1.971	12	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:3:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	Ge[6]-3:C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]Ge[6]C[5]H)(C[5]C[5]H)(H)	C[5](Ge[6]N[6,6a]N[6])(C[5]C[5]H)2(H)	C[5](C[5]C[5]H)2(H)	C[5](C[5]Ge[6]C[5]H)(C[5]C[5]H)(H){2|H<1>,2|N<3>}	C[5](Ge[6]N[6,6a]N[6])(C[5]C[5]H)2(H){1|Si<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5]H)2(H){1|Ge<3>,2|H<1>}	108.0585	0.187	2	108.0585	0.035	2	108.0470	0.048	4	109.5547	1.971	12	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:3:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	Ge[6]-3:C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]Ge[6]C[5]H)(C[5]C[5]H)(H)	C[5](Ge[6]N[6]2)(C[5]C[5]H)2(H)	C[5](C[5]C[5]H)2(H)	C[5](C[5]Ge[6]C[5]H)(C[5]C[5]H)(H){2|H<1>,2|N<3>}	C[5](Ge[6]N[6]2)(C[5]C[5]H)2(H){2|H<1>,4|C<3>}	C[5](C[5]C[5]H)2(H){1|Ge<3>,2|H<1>}	108.0355	0.329	2	108.0355	0.108	2	108.0470	0.048	4	109.5547	1.971	12	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:3:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	N[5]-3:C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]CH)(C[5]C[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(CC[6a]C)(H)	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](C[5]N[5]CH)(C[5]C[5]H)(H){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(CC[6a]C)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5]H)(C[5]N[5]O)(H){1|H<1>,2|C<3>}	110.9710	0.000	1	110.9710	0.000	1	110.9710	0.000	1	109.5547	1.971	12	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:3:1:	3:3:1:	C[5]-4:C[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]O)2(H)	C[5](C[5]C[5]N)(C[5]C[5]O)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(O){1|N<3>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]O)2(H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[5]N)(C[5]C[5]O)(H){1|C<3>,1|H<1>,1|O<1>}	109.8240	0.000	1	109.8240	0.000	1	109.8240	0.000	1	109.5547	1.971	12	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:3:1:	3:3:3:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C)(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(COO)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C)(H){4|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]H)(H){2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(COO){2|H<1>,3|C<3>}	111.9250	0.000	1	111.9250	0.000	1	111.9250	0.000	1	111.1495	4.945	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:3:1:	3:3:3:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[5a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]C[5]H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[5a])(H){1|S<2>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)(H){1|C<2>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]C[5]H){2|H<1>,6|C<3>}	112.7790	0.000	1	112.7790	0.000	1	112.7790	0.000	1	111.1495	4.945	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:3:1:	3:3:3:	C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])(H){1|C<4>,1|O<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O){1|C<4>,3|C<3>,3|H<1>}	112.0310	0.000	1	112.0310	0.000	1	112.0310	0.000	1	111.1495	4.945	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:3:1:	3:3:3:	C[5]-4:C[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:N-3:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]O)2(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(NC[6a]H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N)(O){1|H<1>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]O)2(H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[5]H)(C[5]C[5]O)(NC[6a]H){1|C<3>,1|H<1>,1|O<1>}	107.8630	0.000	1	107.8630	0.000	1	107.8630	0.000	1	111.1495	4.945	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:3:1:	3:4:3:	C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]C[5]H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])(H){1|S<4>,6|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S)(H){2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]C[5]H){1|S<4>,3|C<3>,3|H<1>}	114.6300	0.000	1	114.6300	0.000	1	114.0180	0.860	3	114.0180	0.860	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:3:1:	3:4:3:	C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])(H){1|H<1>,1|S<4>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S)(H){3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]H){1|S<4>,3|C<3>,3|H<1>}	114.4730	0.000	1	114.4730	0.000	1	114.0180	0.860	3	114.0180	0.860	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:3:1:	3:4:3:	C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S)(H)	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(C[5]C[5]H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])(H){1|H<1>,1|N<2>,1|S<4>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S)(H){3|H<1>,4|C<3>}	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(C[5]C[5]H){1|S<4>,2|H<1>,5|C<3>}	112.9510	0.000	1	112.9510	0.000	1	114.0180	0.860	3	114.0180	0.860	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:3:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(CCH)(H)	C[5](C[5]C[5]SiC)(C[5]C[5]H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(H){1|Si<4>,1|C<3>,1|O<1>}	C[5](C[5]C[5]H)(C[5]C[5]O)(CCH)(H){1|Si<4>,1|C<3>,1|H<1>}	C[5](C[5]C[5]SiC)(C[5]C[5]H)(H){1|C<3>,1|H<1>,1|O<1>}	111.3900	0.000	1	111.3900	0.000	1	111.3900	0.000	1	112.2644	0.324	9	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:3:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]N[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(N[5]C[5]S)(CCH)(H)	C[5](C[5]N[5]HH)(C[5]C[5]H)(H)	C[5](C[5]N[5]CH)(C[5]C[5]H)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]H)(N[5]C[5]S)(CCH)(H){3|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]H)(H){1|C<3>,1|H<1>,1|S<4>}	112.2230	0.000	1	112.2230	0.000	1	112.2230	0.000	1	112.2644	0.324	9	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:3:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]H)(H){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(H){2|C<3>,5|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]H)(H){1|H<1>,2|C<3>}	112.7930	0.000	1	112.4815	0.194	2	112.6270	0.095	4	112.2644	0.324	9	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:3:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]H)(H){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(H){3|C<3>,4|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]H)(H){1|H<1>,2|C<3>}	112.1700	0.000	1	112.4815	0.194	2	112.6270	0.095	4	112.2644	0.324	9	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:3:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]H)(H){1|H<1>,1|S<4>,3|C<3>}	112.7725	0.083	2	112.7725	0.007	2	112.6270	0.095	4	112.2644	0.324	9	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:3:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	N[5]-3:C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]N[5]CH)(C[5]C[5]H)(H)	C[5](N[5]C[5]C[6])(C[5]C[5]H)(CN[6]O)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]H)(H)	C[5](C[5]N[5]CH)(C[5]C[5]H)(H){1|H<1>,2|C<3>}	C[5](N[5]C[5]C[6])(C[5]C[5]H)(CN[6]O)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]H)(H){1|H<1>,4|C<3>}	111.7520	0.000	1	111.7520	0.000	1	111.7520	0.000	1	112.2644	0.324	9	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:3:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	N[5]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]H)(H)	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[5](C[5]N[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]H)(H){1|H<1>,4|C<3>}	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]H)(H){1|N<3>,4|C<3>,4|H<1>}	C[5](C[5]N[5]CH)(C[5]C[5]H)(H){1|H<1>,2|C<3>}	112.8670	0.000	1	112.8670	0.000	1	112.8670	0.000	1	112.2644	0.324	9	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:3:1:	4:3:1:	C[5]-4:C[5]-3:I-1:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:Br-1:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]Br)(I)	C[5](C[6a]C[6a]2)(C[5]C[5]I)(N[5]C[5]S)(H)	C[5](C[5]N[5]HH)(C[5]C[5]I)(Br)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]Br)(I){1|S<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]I)(N[5]C[5]S)(H){1|Br<1>,2|C<3>,4|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]I)(Br){1|C<3>,1|H<1>,1|S<4>}	111.6400	0.000	1	111.6400	0.000	1	111.6400	0.000	1	112.2644	0.324	9	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:3:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]H)(COO)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(H){1|H<1>,1|S<4>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S)(H){3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]H)(COO){1|H<1>,1|S<4>,3|C<3>}	112.6670	0.000	1	112.6670	0.000	1	112.6670	0.000	1	111.9255	1.100	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:3:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	N[5]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]H)(COO)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(H){1|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)(H){1|O<2>,2|H<1>,6|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]H)(COO){1|H<1>,4|C<3>}	111.1840	0.000	1	111.1840	0.000	1	111.1840	0.000	1	111.9255	1.100	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:3:1:	4:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]N[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5]S)(COO)(H)	C[5](C[5]N[5]HH)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]CH)(C[5]C[5]C)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]H)(N[5]C[5]S)(COO)(H){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>,1|S<4>}	112.4640	0.000	1	112.4640	0.000	1	112.4640	0.000	1	111.6875	0.457	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:3:1:	4:3:4:	C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]HH)(C[5]C[5]H)(CF3)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]H)(CF3){1|C<3>,1|C<4>,1|H<1>}	110.8140	0.000	1	110.8140	0.000	1	110.8140	0.000	1	111.6875	0.457	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:3:1:	4:3:4:	C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:S-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]S)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S)(H)	C[5](C[5]N[5]HH)(C[5]C[5]H)(SC[6a]OO)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]S)(H){1|S<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S)(H){1|S<4>,2|C<3>,4|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]H)(SC[6a]OO){1|C<3>,1|H<1>,1|S<4>}	111.7360	0.020	2	111.7360	0.000	2	111.7360	0.000	2	111.6875	0.457	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:3:2:	3:3:2:	C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[6a]2N[5])(C[5]C[5]O)(H)	C[5](C[6a]C[6a]2)2(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[5]H)(C[5]N[5]C)(OC)	C[5](C[5]C[6a]2N[5])(C[5]C[5]O)(H){1|C<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]H)(N[5]C[5]){1|C<1>,1|O<2>,4|C<3>,4|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]C)(OC){2|C<3>}	105.5600	0.000	1	106.2930	1.075	2	106.2930	1.075	2	106.2930	1.075	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:3:2:	3:3:2:	C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[6a]2N[5])(C[5]C[5]O)(H)	C[5](C[6a]C[6a]2)2(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[5]H)(C[5]N[5]C)(OC)	C[5](C[5]C[6a]2N[5])(C[5]C[5]O)(H){5|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]H)(N[5]C[5]){1|O<2>,4|H<1>,5|C<3>}	C[5](C[5]C[5]H)(C[5]N[5]C)(OC){2|C<3>}	107.0260	0.000	1	106.2930	1.075	2	106.2930	1.075	2	106.2930	1.075	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:3:2:	3:3:3:	C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:O-2:	C[6a]-3:C[5]-3:N[5]-3:	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O)(OC)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]N[5])(H){1|C<4>,1|O<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O)(OC){1|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	110.0740	0.588	2	110.0740	0.346	2	110.0740	0.346	2	111.4536	1.717	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:3:2:	3:3:3:	C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:O-2:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5]O)(C[5]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(OH)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O)	C[5](C[5]C[6a]N[5]O)(C[5]C[6a]C[5])(H){1|C<4>,1|O<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(OH){1|O<1>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	112.2920	0.000	1	112.2920	0.000	1	112.3733	0.088	3	111.4536	1.717	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:3:2:	3:3:3:	C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:O-2:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5]O)(C[5]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]H)(OH)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O)	C[5](C[5]C[6a]N[5]O)(C[5]C[6a]C[5])(H){1|H<1>,1|O<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]H)(OH){1|O<1>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O){2|H<1>,2|O<2>,3|C<3>}	112.1250	0.000	1	112.1250	0.000	1	112.3733	0.088	3	111.4536	1.717	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:3:2:	3:3:3:	C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:O-2:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5]O)(C[5]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]O)(OH)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O)	C[5](C[5]C[6a]N[5]O)(C[5]C[6a]C[5])(H){1|O<1>,1|O<2>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]O)(OH){1|O<1>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O){2|H<1>,2|O<2>,3|C<3>}	112.7030	0.000	1	112.7030	0.000	1	112.3733	0.088	3	111.4536	1.717	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:3:2:	3:3:4:	C[5]-4:C[5]-3:Br-1:	C[6a]-3:C[5]-3:N[5]-3:O-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]N[5]O)(C[5]C[5]C)(Br)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]Br)(N[5]C[5]S)(OC)	C[5](C[5]C[5]Br)(C[5]N[5]O)(CH3)	C[5](C[5]C[6a]N[5]O)(C[5]C[5]C)(Br){1|O<1>,1|S<4>,2|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]Br)(N[5]C[5]S)(OC){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[5]Br)(C[5]N[5]O)(CH3){1|C<3>,1|O<2>,1|S<4>}	115.2470	0.000	1	115.2470	0.000	1	115.2470	0.000	1	111.6400	12.319	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:3:2:	3:3:4:	C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:O[5]-2:	C[5]-3:N[5]-3:C-4:	C[5](C[5]C[6a]2O[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)2(C[5]C[5]H)(O[5]N[5])	C[5](C[5]C[5]H)(N[5]O[5]S)(CCHH)	C[5](C[5]C[6a]2O[5])(C[5]N[5]C)(H){1|S<4>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]H)(O[5]N[5]){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	C[5](C[5]C[5]H)(N[5]O[5]S)(CCHH){2|C<3>}	111.4370	0.000	1	111.4370	0.000	1	111.4370	0.000	1	111.6400	12.319	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:3:2:	3:3:4:	C[5]-4:C[5]-3:O-1:	C[5]-3:C[5]-3:C-3:O-2:	C[5]-3:C[5]-3:P-4:	C[5](C[5]C[5]CO)(C[5]C[5]P)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(COO)(OC)	C[5](C[5]C[5]C)(C[5]C[5]O)(PC[6a]3)	C[5](C[5]C[5]CO)(C[5]C[5]P)(O){2|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]O)(COO)(OC){1|C<3>,1|P<4>}	C[5](C[5]C[5]C)(C[5]C[5]O)(PC[6a]3){1|O<2>,2|C<3>}	108.2360	0.000	1	108.2360	0.000	1	108.2360	0.000	1	111.6400	12.319	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:3:2:	3:4:3:	C[5]-4:C[5]-3:Br-1:	C[6a]-3:C[6a]-3:C[5]-3:O[5]-2:	C[5]-3:P[5]-4:C[5]-3:	C[5](C[5]C[6a]2O[5])(C[5]C[5]P[5])(Br)	C[5](C[6a]C[6a]2)2(C[5]C[5]Br)(O[5]P[5])	C[5](C[5]C[5]P[5])(P[5]O[5]OO)(C[5]C[5]Br)	C[5](C[5]C[6a]2O[5])(C[5]C[5]P[5])(Br){1|O<1>,1|O<2>,1|P<4>,5|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]Br)(O[5]P[5]){1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[5](C[5]C[5]P[5])(P[5]O[5]OO)(C[5]C[5]Br){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,2|O<2>}	117.1800	0.000	1	117.1800	0.000	1	117.1800	0.000	1	117.1800	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:3:2:	4:3:1:	C[5]-4:C[5]-3:Br-1:	C[6a]-3:C[6a]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[6a]2O[5])(C[5]C[5,5]H)(Br)	C[5](C[6a]C[6a]2)2(C[5]C[5]Br)(O[5]C[5,5])	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]Br)(H)	C[5](C[5]C[6a]2O[5])(C[5]C[5,5]H)(Br){1|O<2>,5|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]Br)(O[5]C[5,5]){1|Cl<1>,1|O<2>,4|H<1>,5|C<3>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]Br)(H){1|C<4>,1|H<1>,3|C<3>}	111.8590	0.626	2	111.8590	0.392	2	111.8590	0.392	2	111.7528	0.152	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:3:2:	4:3:1:	C[5]-4:C[5]-3:Br-1:	C[6a]-3:C[6a]-3:C[5]-3:O[5]-2:	C[5]-4:C[5]-3:Br-1:	C[5](C[5]C[6a]2O[5])(C[5]C[5]Br)(Br)	C[5](C[6a]C[6a]2)2(C[5]C[5]Br)(O[5]C[5])	C[5](C[5]C[6a]2O[5])(C[5]C[5]Br)(Br)	C[5](C[5]C[6a]2O[5])(C[5]C[5]Br)(Br){6|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]Br)(O[5]C[5]){1|Br<1>,4|H<1>,6|C<3>}	C[5](C[5]C[6a]2O[5])(C[5]C[5]Br)(Br){6|C<3>}	111.6465	0.134	2	111.6465	0.018	2	111.6465	0.018	2	111.7528	0.152	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:3:3:	3:3:2:	C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:O[5]-2:	C[5](C[5]C[6a]2C[5])(C[5]C[6a]O[5])(H)	C[5](C[6a]C[6a]2)2(C[5]C[5]H)(C[5]O[5]N)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])	C[5](C[5]C[6a]2C[5])(C[5]C[6a]O[5])(H){1|N<2>,6|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]H)(C[5]O[5]N){4|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5]){1|N<2>,2|H<1>,4|C<3>}	111.0110	0.000	1	111.0110	0.000	1	111.0110	0.000	1	107.7467	11.266	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:3:3:	3:3:2:	C[5]-4:C[5]-3:O-1:	C[5a]-3:C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[5a]C[5]C)(C[5]C[5]O)(O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]O)2(COO)	C[5](C[5]C[5a]C[5])(C[5]C[5]O)(OC)	C[5](C[5]C[5a]C[5]C)(C[5]C[5]O)(O){1|O<1>,3|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]O)2(COO){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5](C[5]C[5a]C[5])(C[5]C[5]O)(OC){1|O<1>,4|C<3>}	107.9240	0.000	1	107.9240	0.000	1	107.9240	0.000	1	107.7467	11.266	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:3:3:	3:3:2:	C[5]-4:C[5]-3:O-1:	C[6a]-3:C[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:N[5]-2:	C[5](C[5]C[6a]N[5]C)(C[5]C[5]N[5])(O)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]N[5]H)(CC[6a]O)	C[5](C[5]C[5]2)(C[5]C[5]O)(N[5]N[5])	C[5](C[5]C[6a]N[5]C)(C[5]C[5]N[5])(O){1|C<4>,1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]N[5]H)(CC[6a]O){2|H<1>,3|C<3>}	C[5](C[5]C[5]2)(C[5]C[5]O)(N[5]N[5]){2|C<3>,2|C<4>,4|H<1>}	104.3050	0.000	1	104.3050	0.000	1	104.3050	0.000	1	107.7467	11.266	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:3:3:	3:3:3:	C[5]-4:C[5]-3:H-1:	C[5,5a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5,5a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,5a]C[6a]2)(C[5]C[5,5a]C[6a])(H)	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)2(C[5]C[5]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[5,5a]C[6a]2)(C[5]C[5,5a]C[6a])(H){1|N<3>,7|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)2(C[5]C[5]H){1|C<4>,4|H<1>,7|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]H){1|N<3>,2|H<1>,6|C<3>}	112.8070	0.000	1	112.8070	0.000	1	112.8070	0.000	1	111.2123	4.622	10	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:3:3:	3:3:3:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[5a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]H)	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[5a])(H){8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]H){5|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]H){1|H<1>,1|N<3>,7|C<3>}	112.2930	0.000	1	112.2930	0.000	1	112.2930	0.000	1	111.2123	4.622	10	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:3:3:	3:3:3:	C[5]-4:C[5]-3:I-1:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a]N)(C[5]C[5,6a]C[6a])(I)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]I)(NHS)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]I)	C[5](C[5]C[5,6a]C[6a]N)(C[5]C[5,6a]C[6a])(I){6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]I)(NHS){3|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]I){1|N<3>,3|H<1>,5|C<3>}	112.9213	0.592	3	112.9213	0.351	3	112.9213	0.351	3	111.2123	4.622	10	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:3:3:	3:3:3:	C[5]-4:C[5]-3:O-1:	C[5,5]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,5]C[6a]2)(C[5]C[5,5]C[6a])(O)	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)2(C[5]C[5]O)	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5]C[5,5]C[6a]2)(C[5]C[5,5]C[6a])(O){1|C<4>,7|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)2(C[5]C[5]O){1|O<2>,2|C<4>,4|H<1>,5|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,4|H<1>,5|C<3>}	111.2550	0.034	2	111.2550	0.001	2	111.2550	0.001	2	111.2123	4.622	10	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:3:3:	3:3:3:	C[5]-4:C[5]-3:O-1:	C[5,6]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6]C[6a]2)(C[5]C[5,6]C[6a])(O)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)2(C[5]C[5]O)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5]C[5,6]C[6a]2)(C[5]C[5,6]C[6a])(O){8|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)2(C[5]C[5]O){1|C<4>,4|H<1>,7|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]O){3|H<1>,6|C<3>}	108.5590	0.000	1	108.5590	0.000	1	108.5590	0.000	1	111.2123	4.622	10	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:3:3:	3:3:3:	C[5]-4:C[5]-3:O-1:	C[5a]-3:C[5]-3:C[5]-3:C-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5a]C[5]C)(C[5]C[5a]C[5])(O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]O)2(COO)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]O)2	C[5](C[5]C[5a]C[5]C)(C[5]C[5a]C[5])(O){1|O<1>,1|O<2>,4|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]O)2(COO){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]O)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	110.5540	0.000	1	110.5540	0.000	1	110.5540	0.000	1	111.2123	4.622	10	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:3:3:	3:3:3:	C[5]-4:C[5]-3:O-1:	C[6a]-3:C[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[6a]N[5]C)(C[5]C[5]C)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]H)(COO)	C[5](C[5]C[6a]N[5])(C[5]C[5]O)(COO)	C[5](C[5]C[6a]N[5]C)(C[5]C[5]C)(O){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]H)(COO){2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[5]O)(COO){1|H<1>,4|C<3>}	106.6360	0.000	1	106.6360	0.000	1	106.6360	0.000	1	111.2123	4.622	10	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:3:3:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:C-3:C-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5]N[5]CC)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(N[5]C[5]O)(COO)2	C[5](C[5]N[5]CC)(C[5]C[5]H)(H)	C[5](C[5]N[5]CC)(C[5]C[5]H)(H){1|O<1>,2|C<3>}	C[5](C[5]C[5]H)(N[5]C[5]O)(COO)2{1|H<1>,2|C<3>}	C[5](C[5]N[5]CC)(C[5]C[5]H)(H){1|O<1>,2|C<3>}	112.3000	0.421	2	112.3000	0.178	2	112.3000	0.178	2	112.3000	0.178	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:3:3:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:C-3:C-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5]N[5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5]H)(COO)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]H)(CCO)	C[5](C[5]N[5]CC)(C[5]C[5]C)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]H)(N[5]C[5]H)(COO)2{1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]H)(CCO){1|H<1>,4|C<3>}	110.7910	0.000	1	110.7910	0.000	1	110.7910	0.000	1	111.5430	1.131	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:3:3:	4:3:3:	C[5]-4:C[5]-3:H-1:	N[5,5]-3:C[5]-3:C-3:C-3:	C[5,5]-4:C[5]-3:C-3:	C[5](C[5]N[5,5]CC)(C[5]C[5,5]C)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]H)(COO)2	C[5](C[5,5]C[5,6a]N[5,5]O)(C[5]C[5]H)(COO)	C[5](C[5]N[5,5]CC)(C[5]C[5,5]C)(H){1|O<2>,2|C<3>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]H)(COO)2{1|O<1>,1|O<2>,3|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]O)(C[5]C[5]H)(COO){5|C<3>}	112.2950	0.000	1	112.2950	0.000	1	112.2950	0.000	1	111.5430	1.131	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:3:4:	3:3:1:	C[5]-4:C[5]-3:C-1:	C[5]-3:C[5]-3:Ga-3:C-4:	C[5]-3:C[5]-3:C-1:	C[5](C[5]C[5]GaC)(C[5]C[5]C)(C)	C[5](C[5]C[5]C)2(GaClRu)(CH3)	C[5](C[5]C[5]C)2(C)	C[5](C[5]C[5]GaC)(C[5]C[5]C)(C){2|C<1>}	C[5](C[5]C[5]C)2(GaClRu)(CH3){2|C<1>}	C[5](C[5]C[5]C)2(C){1|Ga<3>,1|C<1>,1|C<4>}	109.4085	0.197	2	109.4085	0.039	2	109.4085	0.039	2	110.9962	0.962	12	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:3:4:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H)(CH3)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]H)(H){1|N<3>,3|C<3>}	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H)(CH3){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H){1|C<4>,1|N<3>,3|C<3>}	111.2370	0.000	1	111.2370	0.000	1	111.2370	0.000	1	110.9962	0.962	12	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:3:4:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]C[5]O)(CCHH)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]H)(H){1|O<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]C[5]O)(CCHH){3|C<3>,3|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|O<1>}	113.2880	0.000	1	113.2880	0.000	1	113.2880	0.000	1	110.9962	0.962	12	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:3:4:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]N[5]C)(C[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(CCHH)	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](C[5]C[6a]N[5]C)(C[5]C[5]H)(H){1|C<4>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(CCHH){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]O)(H){1|C<3>,2|C<4>}	111.0765	0.139	8	111.0765	0.019	8	111.0765	0.019	8	110.9962	0.962	12	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:3:4:	3:3:3:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[5a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]H)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[5a])(H){6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)(CH3){3|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]H){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	113.1690	0.000	1	113.1690	0.000	1	113.1690	0.000	1	111.6855	6.995	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:3:4:	3:3:3:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[6a])(H){6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)(CH3){1|O<2>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	113.8460	0.000	1	113.8460	0.000	1	113.8460	0.000	1	111.6855	6.995	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:3:4:	3:3:3:	C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5]C)(C[5]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(CCHH)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O)	C[5](C[5]C[6a]N[5]C)(C[5]C[6a]C[5])(H){1|C<4>,1|O<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(CCHH){1|O<1>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O){2|C<4>,2|H<1>,3|C<3>}	111.7970	0.000	1	111.7970	0.000	1	111.7970	0.000	1	111.6855	6.995	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:3:4:	3:3:3:	C[5]-4:C[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]C)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]C[5]O)(CCHH)	C[5](C[5]C[5]H)(C[5]C[5]O)(CC[6a]H)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]C)(O){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]C[5]O)(CCHH){3|C<3>,3|H<1>}	C[5](C[5]C[5]H)(C[5]C[5]O)(CC[6a]H){1|C<3>,1|C<4>,1|H<1>}	107.9300	0.000	1	107.9300	0.000	1	107.9300	0.000	1	111.6855	6.995	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:3:4:	3:3:4:	C[5]-4:C[5]-3:H-1:	B[5]-3:C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]B[5]C[5]C)(C[5]N[5]C)(H)	C[5](B[5]N[5]N)(C[5]C[5]H)(C[5]N[5]2)(CC3)	C[5](N[5]C[6a]B[5])(C[5]C[5]H)(CC3)	C[5](C[5]B[5]C[5]C)(C[5]N[5]C)(H){1|C<3>,1|N<2>,2|N<3>}	C[5](B[5]N[5]N)(C[5]C[5]H)(C[5]N[5]2)(CC3){3|C<3>,3|C<4>}	C[5](N[5]C[6a]B[5])(C[5]C[5]H)(CC3){1|C<4>,1|N<2>,3|C<3>}	115.6180	0.000	1	115.6180	0.000	1	115.6180	0.000	1	113.5950	8.185	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:3:4:	3:3:4:	C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]N[5]C)(C[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]O)(CH3)	C[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3)	C[5](C[5]C[6a]N[5]C)(C[5]C[5]C)(H){1|O<2>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]O)(CH3){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3){1|C<4>,1|O<2>,3|C<3>}	111.5720	0.000	1	111.5720	0.000	1	111.5720	0.000	1	113.5950	8.185	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:4:1:	3:2:4:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-3:O[5]-2:C-4:	C[5](C[5]C[5]CH)(C[5]O[5]C)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CCCO)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CH3)	C[5](C[5]C[5]CH)(C[5]O[5]C)(H){1|O<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(CCCO)(H){1|C<4>}	C[5](C[5]C[5]H)(O[5]C[5])(CH3){1|C<4>,1|H<1>,1|O<1>}	109.2360	0.000	1	109.2360	0.000	1	109.2360	0.000	1	109.2360	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:4:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5,5]-3:C[5]-3:B-4:H-1:	C[5,5]-3:C[5]-3:H-1:	C[5](C[5]C[5,5]BH)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]H)(BC[6a]2H)(H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]H)(H)	C[5](C[5]C[5,5]BH)(C[5]C[5,5]H)(H){1|C<3>,1|C<4>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]H)(BC[6a]2H)(H){1|H<1>,1|N<3>,2|C<4>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]H)(H){1|B<4>,1|C<3>,1|H<1>,3|C<4>}	112.0400	0.000	1	112.0400	0.000	1	112.0400	0.000	1	110.6882	1.548	20	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:4:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5,6]-3:C[5]-3:Si-4:H-1:	C[5,6]-3:C[5]-3:H-1:	C[5](C[5]C[5,6]SiH)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]H)(SiC3)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]H)(H)	C[5](C[5]C[5,6]SiH)(C[5]C[5,6]H)(H){2|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]H)(SiC3)(H){2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]H)(H){1|Si<4>,2|H<1>,3|C<4>}	109.4600	0.000	1	109.4600	0.000	1	109.4600	0.000	1	110.6882	1.548	20	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:4:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[5]CC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]H)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[5]CC)(H){2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|C<4>,2|C<3>,2|H<1>}	111.3840	0.000	1	111.3840	0.000	1	111.3840	0.000	1	110.6882	1.548	20	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:4:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:P-4:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]HP)(C[5]C[5,6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]2C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)	C[5](C[5]C[5,6a]HP)(C[5]C[5,6a]H)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]2C)(H){2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|P<4>,2|C<3>,2|H<1>}	109.9290	0.000	1	109.9290	0.000	1	109.9290	0.000	1	110.6882	1.548	20	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:4:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:Si-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]SiH)(C[5]C[5]H)(H)	C[5](C[5]C[5]Fe)(C[5]C[5]H)(SiC[5]CC)(H)	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]SiH)(C[5]C[5]H)(H){1|Fe<8>,1|H<1>}	C[5](C[5]C[5]Fe)(C[5]C[5]H)(SiC[5]CC)(H){2|H<1>}	C[5](C[5]C[5]H)2(H){1|Fe<8>,1|Si<4>,1|H<1>}	108.0600	0.000	1	108.0600	0.000	1	108.0600	0.000	1	110.6882	1.548	20	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:4:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(CCCH)(H)	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](C[5]N[5]CH)(C[5]C[5]H)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]H)(N[5]C[5]C)(CCCH)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|H<1>}	111.5072	0.484	4	111.5072	0.234	4	111.3477	0.292	12	110.6882	1.548	20	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:4:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(CCHO)(H)	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](C[5]N[5]CH)(C[5]C[5]H)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]H)(N[5]C[5]C)(CCHO)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|H<1>}	111.6210	0.000	1	111.6210	0.000	1	111.3477	0.292	12	110.6882	1.548	20	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:4:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(CC[6a]CH)(H)	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](C[5]N[5]CH)(C[5]C[5]H)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]H)(N[5]C[5]C)(CC[6a]CH)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|H<1>}	111.0978	0.776	4	111.0978	0.602	4	111.3477	0.292	12	110.6882	1.548	20	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:4:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(CC[6a]HN)(H)	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](C[5]N[5]CH)(C[5]C[5]H)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]H)(N[5]C[5]C)(CC[6a]HN)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|H<1>}	111.3770	0.370	3	111.3770	0.137	3	111.3477	0.292	12	110.6882	1.548	20	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:4:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]CH)(C[5]C[5]H)(H)	C[5](N[5]C[5]Al)(C[5]C[5]H)(CC[5a]CC)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]N[5]CH)(C[5]C[5]H)(H){1|Al<5>,1|C<4>}	C[5](N[5]C[5]Al)(C[5]C[5]H)(CC[5a]CC)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|Al<5>,1|C<4>,1|H<1>}	108.9067	0.277	3	108.9067	0.077	3	108.9067	0.077	3	110.6882	1.548	20	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:4:1:	3:3:3:	C[5]-4:C[5]-3:O-1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]CH)(C[5]C[5]C)(O)	C[5](C[5]C[5]O)(N[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]O)(C[5]N[5]O)(CCO)	C[5](C[5]N[5]CH)(C[5]C[5]C)(O){1|C<4>,1|O<1>}	C[5](C[5]C[5]O)(N[5]C[5]C)(CCHH)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]O)(C[5]N[5]O)(CCO){1|H<1>,2|C<4>}	106.8160	0.000	1	106.8160	0.000	1	106.8702	0.044	5	106.9935	0.126	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:4:1:	3:3:3:	C[5]-4:C[5]-3:O-1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]CH)(C[5]C[5]C)(O)	C[5](C[5]C[5]O)(N[5]C[5]H)(CCCH)(H)	C[5](C[5]C[5]O)(C[5]N[5]O)(CCN)	C[5](C[5]N[5]CH)(C[5]C[5]C)(O){1|H<1>,1|O<1>}	C[5](C[5]C[5]O)(N[5]C[5]H)(CCCH)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]O)(C[5]N[5]O)(CCN){1|C<4>,2|H<1>}	106.5360	0.000	1	106.5360	0.000	1	106.8702	0.044	5	106.9935	0.126	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:4:1:	3:3:3:	C[5]-4:C[5]-3:O-1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]CH)(C[5]C[5]C)(O)	C[5](C[5]C[5]O)(N[5]C[5]H)(CCCH)(H)	C[5](C[5]C[5]O)(C[5]N[5]O)(CC[6]O)	C[5](C[5]N[5]CH)(C[5]C[5]C)(O){1|H<1>,1|O<1>}	C[5](C[5]C[5]O)(N[5]C[5]H)(CCCH)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]O)(C[5]N[5]O)(CC[6]O){1|C<4>,2|H<1>}	107.0760	0.000	1	107.0760	0.000	1	106.8702	0.044	5	106.9935	0.126	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:4:1:	3:3:3:	C[5]-4:C[5]-3:O-1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]CH)(C[5]C[5]C)(O)	C[5](C[5]C[5]O)(N[5]C[5]H)(CC[6a]HH)(H)	C[5](C[5]C[5]O)(C[5]N[5]O)(CC[6]O)	C[5](C[5]N[5]CH)(C[5]C[5]C)(O){1|H<1>,1|O<1>}	C[5](C[5]C[5]O)(N[5]C[5]H)(CC[6a]HH)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]O)(C[5]N[5]O)(CC[6]O){1|C<4>,2|H<1>}	106.9615	0.036	2	106.9615	0.001	2	106.8702	0.044	5	106.9935	0.126	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:4:1:	3:3:3:	C[5]-4:C[5]-3:O-1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C[5]-3:	C[5](C[5]N[5]CH)(C[5]C[5]2)(O)	C[5](C[5]C[5]O)(N[5]C[5]C)(CC[6a]HH)(H)	C[5](C[5]C[5]O)(C[5]N[5]O)(C[5]S[5]2)	C[5](C[5]N[5]CH)(C[5]C[5]2)(O){1|C<4>,1|O<1>,2|S<2>}	C[5](C[5]C[5]O)(N[5]C[5]C)(CC[6a]HH)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]O)(C[5]N[5]O)(C[5]S[5]2){1|H<1>,4|C<4>}	107.6100	0.000	1	107.6100	0.000	1	107.6100	0.000	1	106.9935	0.126	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:4:1:	3:3:4:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-3:B-4:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]B)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(BC[6a]2N)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]B)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCCH)(H){1|B<4>,1|H<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(BC[6a]2N){1|C<4>,2|C<3>,2|H<1>}	113.0970	0.208	2	113.0970	0.043	2	113.0970	0.043	2	111.5070	7.606	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:4:1:	3:3:4:	C[5]-4:C[5]-3:O-1:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]CH)(C[5]C[5]C)(O){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)(H){2|C<4>}	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	108.3270	0.000	1	108.3270	0.000	1	108.3270	0.000	1	111.5070	7.606	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:4:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(CC[5a]CC)(H)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]H)(CCC)	C[5](C[5]C[5]CH)(C[5]C[5]C)(H){1|C<2>,1|C<3>,1|O<1>}	C[5](C[5]C[5]H)(C[5]C[5]O)(CC[5a]CC)(H){1|C<2>,2|C<3>}	C[5](C[5]C[6a]C[5]C)(C[5]C[5]H)(CCC){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	113.6710	0.062	2	113.6710	0.004	2	113.6710	0.004	2	112.5737	0.515	11	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:4:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]N[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5]S)(CC3)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]H)(COO)	C[5](C[5]N[5]CH)(C[5]C[5]C)(H){1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[5]H)(N[5]C[5]S)(CC3)(H){1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]H)(COO){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	111.9870	0.000	1	111.9870	0.000	1	112.5366	0.126	7	112.5737	0.515	11	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:4:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]N[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5]S)(CCHH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]H)(CC[6a]O)	C[5](C[5]N[5]CH)(C[5]C[5]C)(H){1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[5]H)(N[5]C[5]S)(CCHH)(H){1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]H)(CC[6a]O){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	112.6925	0.285	4	112.6925	0.081	4	112.5366	0.126	7	112.5737	0.515	11	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:4:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]N[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5]S)(CCHH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]H)(COO)	C[5](C[5]N[5]CH)(C[5]C[5]C)(H){1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[5]H)(N[5]C[5]S)(CCHH)(H){1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]H)(COO){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	112.7360	0.000	1	112.7360	0.000	1	112.5366	0.126	7	112.5737	0.515	11	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:4:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]N[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5]S)(CCHH)(H)	C[5](C[5]N[5]HH)(C[5]C[5]H)(COO)	C[5](C[5]N[5]CH)(C[5]C[5]C)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]H)(N[5]C[5]S)(CCHH)(H){1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]H)(COO){1|C<4>,1|H<1>,1|S<4>}	112.2630	0.000	1	112.2630	0.000	1	112.5366	0.126	7	112.5737	0.515	11	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:4:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:S-3:	C[5](C[5]N[5]CH)(C[5]C[5]S)(H)	C[5](C[5]C[5]H)(N[5]C[5]S)(CBrHH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]H)(SC[6a]O)	C[5](C[5]N[5]CH)(C[5]C[5]S)(H){1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[5]H)(N[5]C[5]S)(CBrHH)(H){1|C<3>,1|H<1>,1|S<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]H)(SC[6a]O){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	111.6065	0.313	2	111.6065	0.098	2	111.6065	0.098	2	112.5737	0.515	11	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:4:2:	3:2:3:	C[5]-4:C[5]-3:O-1:	C[5]-3:C[5]-3:C-4:O-2:	C[5]-3:N[5]-2:C-3:	C[5](C[5]C[5]CO)(C[5]N[5]C)(O)	C[5](C[5]C[5]O)(C[5]N[5]C)(CH3)(OC)	C[5](C[5]C[5]O)(N[5]C[5])(CC[5a]H)	C[5](C[5]C[5]CO)(C[5]N[5]C)(O){1|C<3>}	C[5](C[5]C[5]O)(C[5]N[5]C)(CH3)(OC){1|C<3>}	C[5](C[5]C[5]O)(N[5]C[5])(CC[5a]H){1|C<3>,1|C<4>,1|O<2>}	105.2600	0.000	1	105.2600	0.000	1	105.7105	0.406	2	105.7105	0.406	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:4:2:	3:2:3:	C[5]-4:C[5]-3:O-1:	C[5]-3:C[5]-3:C-4:O-2:	C[5]-3:N[5]-2:C-3:	C[5](C[5]C[5]CO)(C[5]N[5]C)(O)	C[5](C[5]C[5]O)(C[5]N[5]C)(CH3)(OH)	C[5](C[5]C[5]O)(N[5]C[5])(CC[5a]H)	C[5](C[5]C[5]CO)(C[5]N[5]C)(O){1|C<3>}	C[5](C[5]C[5]O)(C[5]N[5]C)(CH3)(OH){1|C<3>}	C[5](C[5]C[5]O)(N[5]C[5])(CC[5a]H){1|C<3>,1|C<4>,1|O<2>}	106.1610	0.000	1	106.1610	0.000	1	105.7105	0.406	2	105.7105	0.406	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:4:2:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:O-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]CO)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(CCHH)(OH)	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](C[5]N[5]CO)(C[5]C[5]H)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]H)(N[5]C[5]C)(CCHH)(OH){1|H<1>,1|O<1>}	C[5](C[5]C[5]H)(C[5]N[5]O)(H){1|O<2>,2|C<4>}	111.4680	0.000	1	111.4680	0.000	1	111.4680	0.000	1	110.5077	0.707	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:4:2:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-3:C-4:O[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]O[5]C)(C[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(CC[5a]CH)(O[5]C[5])	C[5](C[5]C[5]H)(C[5]O[5]O)(H)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]H)(H){1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(CC[5a]CH)(O[5]C[5]){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(H){1|C<3>,1|C<4>}	110.1520	0.000	1	110.1520	0.000	1	110.0275	0.031	2	110.5077	0.707	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:4:2:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-3:C-4:O[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]O[5]C)(C[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(CC[6a]CH)(O[5]C[5])	C[5](C[5]C[5]H)(C[5]O[5]O)(H)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]H)(H){1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(CC[6a]CH)(O[5]C[5]){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(H){1|C<3>,1|C<4>}	109.9030	0.000	1	109.9030	0.000	1	110.0275	0.031	2	110.5077	0.707	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:4:2:	3:3:3:	C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:O-2:	C[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]CO)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5]H)(CC[6a]HH)(OH)	C[5](C[5]C[5]H)(C[5]N[5]O)(CC[6]O)	C[5](C[5]N[5]CO)(C[5]C[5]C)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]H)(N[5]C[5]H)(CC[6a]HH)(OH){1|C<3>,1|O<1>}	C[5](C[5]C[5]H)(C[5]N[5]O)(CC[6]O){1|C<4>,1|H<1>,1|O<2>}	110.9410	0.000	1	110.9410	0.000	1	110.9410	0.000	1	107.8338	2.494	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:4:2:	3:3:3:	C[5]-4:C[5]-3:O-1:	C[5]-3:N[5]-3:C-4:O-2:	C[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]CO)(C[5]C[5]C)(O)	C[5](C[5]C[5]O)(N[5]C[5]C)(CCHH)(OH)	C[5](C[5]C[6a]N[5])(C[5]C[5]O)(CC[6a]O)	C[5](C[5]N[5]CO)(C[5]C[5]C)(O){1|C<3>,1|C<4>}	C[5](C[5]C[5]O)(N[5]C[5]C)(CCHH)(OH){2|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[5]O)(CC[6a]O){1|O<2>,2|C<3>,2|C<4>}	106.8730	0.010	2	106.8730	0.000	2	107.0187	0.045	4	107.8338	2.494	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:4:2:	3:3:3:	C[5]-4:C[5]-3:O-1:	C[5]-3:N[5]-3:C-4:O-2:	C[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]CO)(C[5]C[5]C)(O)	C[5](C[5]C[5]O)(N[5]C[5]H)(CC3)(OC)	C[5](C[5]C[5]O)(C[5]N[5]C)(COO)	C[5](C[5]N[5]CO)(C[5]C[5]C)(O){1|C<4>,1|H<1>}	C[5](C[5]C[5]O)(N[5]C[5]H)(CC3)(OC){1|C<3>,1|C<4>}	C[5](C[5]C[5]O)(C[5]N[5]C)(COO){1|C<4>,1|H<1>,1|O<2>}	107.1645	0.221	2	107.1645	0.049	2	107.0187	0.045	4	107.8338	2.494	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:4:2:	3:3:3:	C[5]-4:C[5]-3:O-1:	N[5]-3:C[5]-3:C-4:O-2:	C[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]CO)(C[5]C[5]C)(O)	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CCHH)(OH)	C[5](C[5]C[6a]N[5])(C[5]C[5]O)(CC[6a]O)	C[5](C[5]N[5]CO)(C[5]C[5]C)(O){2|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CCHH)(OH){4|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[5]O)(CC[6a]O){1|C<4>,1|O<2>,3|C<3>}	107.9870	0.000	1	107.9870	0.000	1	107.9870	0.000	1	107.8338	2.494	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:4:2:	3:3:4:	C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-3:C-4:O[5]-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]O[5]C)(C[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(CC[6a]CH)(O[5]C[5])	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]C)(H){1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(CC[6a]CH)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3){1|C<3>,1|C<4>}	111.2880	0.000	1	111.2880	0.000	1	111.2880	0.000	1	111.2880	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:4:3:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]H)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CCHH)(COO)	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CCHH)(COO){2|C<3>,2|H<1>}	C[5](C[5]C[5]H)2(H){1|C<4>,2|C<3>}	110.1280	0.000	1	110.1280	0.000	1	110.1280	0.000	1	110.1280	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:4:3:	3:3:3:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:C-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CH3)(CNO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]O)	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]C)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CH3)(CNO){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]O){1|C<4>,1|H<1>,3|C<3>}	111.7440	0.000	1	111.7440	0.000	1	111.7440	0.000	1	108.2185	3.067	10	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:4:3:	3:3:3:	C[5]-4:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:C-3:	C[5]-3:C[5]-3:N-3:	C[5](C[5]N[5]CC)(C[5]C[5]N)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(CH3)(COO)	C[5](C[5]C[5]H)(C[5]N[5]O)(NC[6a]H)	C[5](C[5]N[5]CC)(C[5]C[5]N)(H){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(CH3)(COO){1|N<3>,1|O<1>,2|C<3>}	C[5](C[5]C[5]H)(C[5]N[5]O)(NC[6a]H){1|C<4>,2|C<3>}	110.1055	0.091	2	110.1055	0.008	2	110.1055	0.008	2	108.2185	3.067	10	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:4:3:	3:3:3:	C[5]-4:C[5]-3:O-1:	C[5]-3:N[5]-3:C-4:C-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]CC)(C[5]C[5]C)(O)	C[5](C[5]C[5]O)(N[5]C[5]C)(CH3)(CNO)	C[5](C[5]C[5]O)(C[5]N[5]C)(CNO)	C[5](C[5]N[5]CC)(C[5]C[5]C)(O){2|C<4>}	C[5](C[5]C[5]O)(N[5]C[5]C)(CH3)(CNO){1|C<3>,1|C<4>}	C[5](C[5]C[5]O)(C[5]N[5]C)(CNO){1|C<3>,2|C<4>}	107.3150	0.000	1	107.3150	0.000	1	107.3713	0.003	3	108.2185	3.067	10	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:4:3:	3:3:3:	C[5]-4:C[5]-3:O-1:	C[5]-3:N[5]-3:C-4:C-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]CC)(C[5]C[5]C)(O)	C[5](C[5]C[5]O)(N[5]C[5]H)(CH3)(CNO)	C[5](C[5]C[5]O)(C[5]N[5]C)(CNO)	C[5](C[5]N[5]CC)(C[5]C[5]C)(O){1|C<4>,1|H<1>}	C[5](C[5]C[5]O)(N[5]C[5]H)(CH3)(CNO){1|C<3>,1|C<4>}	C[5](C[5]C[5]O)(C[5]N[5]C)(CNO){1|C<3>,1|C<4>,1|H<1>}	107.3995	0.045	2	107.3995	0.002	2	107.3713	0.003	3	108.2185	3.067	10	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:4:3:	3:3:3:	C[5]-4:C[5]-3:O-1:	N[5]-3:C[5]-3:C-4:C-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]CC)(C[5]C[5]C)(O)	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CH3)(CNO)	C[5](C[5]C[5]O)(C[5]N[5]C)(CNO)	C[5](C[5]N[5]CC)(C[5]C[5]C)(O){1|C<3>,1|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CH3)(CNO){1|C<4>,3|C<3>}	C[5](C[5]C[5]O)(C[5]N[5]C)(CNO){1|C<4>,2|C<3>}	107.0290	0.273	4	107.0290	0.074	4	107.0290	0.074	4	108.2185	3.067	10	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:N[5]-3:C-4:	C[5](C[5]C[6a]2C[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)2(C[5]N[5]HH)(C[5]C[5]H)	C[5](C[5]C[5]H)(N[5]C[5]S)(CCHH)	C[5](C[5]C[6a]2C[5])(C[5]N[5]C)(H){1|S<4>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]N[5]HH)(C[5]C[5]H){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	C[5](C[5]C[5]H)(N[5]C[5]S)(CCHH){2|C<3>,2|H<1>}	112.9930	0.000	1	112.9930	0.000	1	112.9930	0.000	1	112.9930	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:4:3:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:Si-4:C-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]SiC)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(SiC3)(CCH)	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]SiC)(C[5]C[5]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[5](C[5]C[5]H)(C[5]C[5]O)(SiC3)(CCH){1|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(H){1|Si<4>,1|C<3>,1|O<1>}	112.3720	0.000	1	112.3720	0.000	1	112.3720	0.000	1	111.1617	4.791	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:4:3:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:C-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5]N[5]CC)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(N[5]C[5]O)(CCHH)(COO)	C[5](C[5]N[5]CC)(C[5]C[5]H)(H)	C[5](C[5]N[5]CC)(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[5]H)(N[5]C[5]O)(CCHH)(COO){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]N[5]CC)(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|O<1>}	112.4780	0.000	1	112.4780	0.000	1	112.4780	0.000	1	111.1617	4.791	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:4:3:	4:3:1:	C[5]-4:C[5]-3:O-1:	C[5a]-3:C[5a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5a]2C[5])(C[5]C[5]O)(O)	C[5](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5a]C[5]C)(C[5]C[5]O)(O)	C[5](C[5]C[5a]2C[5])(C[5]C[5]O)(O){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[5](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,1|O<1>,2|H<1>,2|S<2>,4|C<3>}	C[5](C[5]C[5a]C[5]C)(C[5]C[5]O)(O){2|H<1>,4|C<3>}	108.6350	0.000	1	108.6350	0.000	1	108.6350	0.000	1	111.1617	4.791	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:4:4:	3:2:4:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:O[5]-2:C-4:	C[5](C[5]C[5]CC)(C[5]O[5]C)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHO)(CH3)	C[5](C[5]C[5]H)(O[5]C[5])(CC[5]CH)	C[5](C[5]C[5]CC)(C[5]O[5]C)(H){1|O<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHO)(CH3){1|C<4>}	C[5](C[5]C[5]H)(O[5]C[5])(CC[5]CH){1|O<1>,2|C<4>}	110.4910	0.000	1	110.4910	0.000	1	110.4910	0.000	1	110.4910	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:4:4:	3:3:1:	C[5]-4:C[5]-3:Br-1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]H)(Br)	C[5](C[5]C[5]Br)(C[5]C[5]H)(CH3)2	C[5](C[5]C[5]Br)(C[5]C[5]C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(Br){1|C<3>,1|H<1>}	C[5](C[5]C[5]Br)(C[5]C[5]H)(CH3)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]Br)(C[5]C[5]C)(H){1|H<1>,2|C<4>}	112.4860	0.000	1	112.4860	0.000	1	112.4860	0.000	1	109.7700	4.661	18	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:4:4:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCHH)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(O)	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCHH)(CH3){1|O<1>,1|O<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(O){1|O<2>,2|C<3>,2|C<4>}	103.3660	0.000	1	103.3660	0.000	1	103.3660	0.000	1	109.7700	4.661	18	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:4:4:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	N[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]CC)(C[5]N[5,6a]H)(H)	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]H)(CHHP)(CH3)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)	C[5](C[5]C[5,6a]CC)(C[5]N[5,6a]H)(H){1|C<3>,1|N<2>}	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]H)(CHHP)(CH3){1|H<1>,2|C<3>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|C<3>,1|N<2>,1|O<1>,2|C<4>}	108.0940	0.000	1	108.0940	0.000	1	108.0940	0.000	1	109.7700	4.661	18	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:4:4:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]CC)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(CH3)2	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](C[5]N[5]CC)(C[5]C[5]H)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]H)(N[5]C[5]C)(CH3)2{1|H<1>,1|O<1>}	C[5](C[5]C[5]H)(C[5]N[5]O)(H){1|C<3>,2|C<4>}	112.6825	0.110	2	112.6825	0.012	2	112.6825	0.012	2	109.7700	4.661	18	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:4:4:	3:3:1:	C[5]-4:C[5]-3:O-1:	C[5,5a]-3:C[5]-3:C-4:C-4:	C[5,5a]-3:C[5]-3:O-1:	C[5](C[5]C[5,5a]CC)(C[5]C[5,5a]O)(O)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]O)(CH3)2	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]O)(O)	C[5](C[5]C[5,5a]CC)(C[5]C[5,5a]O)(O){1|C<3>,1|N<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]O)(CH3)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]O)(O){1|N<3>,2|C<3>,2|C<4>}	110.8280	0.673	4	110.8280	0.453	4	110.8280	0.453	4	109.7700	4.661	18	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:4:4:	3:3:1:	C[5]-4:C[5]-3:O-1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]H)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HO)(CH3)	C[5](C[5]C[5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(O){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HO)(CH3){2|H<1>}	C[5](C[5]C[5]H)(C[5]C[5]O)(H){3|C<4>}	108.7070	0.000	1	108.7070	0.000	1	109.2486	0.346	9	109.7700	4.661	18	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:4:4:	3:3:1:	C[5]-4:C[5]-3:O-1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]H)(O)	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3)	C[5](C[5]C[5]2)(C[5]C[5]O)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(O){1|C<4>,1|O<1>}	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3){1|C<4>,1|H<1>}	C[5](C[5]C[5]2)(C[5]C[5]O)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	108.9840	0.199	2	108.9840	0.040	2	109.2486	0.346	9	109.7700	4.661	18	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:4:4:	3:3:1:	C[5]-4:C[5]-3:O-1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]H)(O)	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3)	C[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(O){1|C<3>,1|O<1>}	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(H){1|O<1>,2|C<4>}	108.9500	0.000	1	108.7235	0.103	2	109.2486	0.346	9	109.7700	4.661	18	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:4:4:	3:3:1:	C[5]-4:C[5]-3:O-1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]H)(O)	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3)	C[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(O){1|C<4>,1|O<1>}	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(H){1|O<1>,2|C<4>}	108.4970	0.000	1	108.7235	0.103	2	109.2486	0.346	9	109.7700	4.661	18	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:4:4:	3:3:1:	C[5]-4:C[5]-3:O-1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]H)(O)	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3)	C[5](C[5]C[5]N)(C[5]C[5]O)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(O){1|N<3>,1|O<1>}	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3){1|H<1>,1|N<3>}	C[5](C[5]C[5]N)(C[5]C[5]O)(H){1|O<1>,2|C<4>}	109.7788	0.416	4	109.7788	0.173	4	109.2486	0.346	9	109.7700	4.661	18	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:4:4:	3:3:2:	C[5]-4:C[5]-3:O-1:	C[5]-3:C[5]-3:C-4:C-4:	N[5]-3:C[5]-3:N-2:	C[5](C[5]C[5]CC)(C[5]N[5]N)(O)	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)2	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(NC[6a])	C[5](C[5]C[5]CC)(C[5]N[5]N)(O){1|C<3>,1|O<1>}	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)2{1|C<3>,1|N<2>}	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(NC[6a]){1|O<1>,2|C<3>,2|C<4>}	106.8320	0.000	1	106.8320	0.000	1	106.8320	0.000	1	106.8320	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:4:4:	3:3:3:	C[5]-4:C[5]-3:H-1:	B[5]-3:C[5]-3:Si-4:Si-4:	N[5]-3:C[5]-3:B-3:	C[5](C[5]B[5]Si2)(C[5]N[5]B)(H)	C[5](B[5]N[5]O)(C[5]C[5]H)(SiC3)2	C[5](N[5]C[6a]B[5])(C[5]C[5]H)(BBH)	C[5](C[5]B[5]Si2)(C[5]N[5]B)(H){1|C<3>,1|O<2>}	C[5](B[5]N[5]O)(C[5]C[5]H)(SiC3)2{1|B<3>,1|C<3>}	C[5](N[5]C[6a]B[5])(C[5]C[5]H)(BBH){2|Si<4>,1|O<2>,2|C<3>}	114.0750	0.000	1	114.0750	0.000	1	114.0750	0.000	1	109.7194	5.249	10	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:4:4:	3:3:3:	C[5]-4:C[5]-3:H-1:	C[5,5a]-3:C[5]-3:C-4:C-4:	C[5,5a]-3:C[5]-3:C-3:	C[5](C[5]C[5,5a]CC)(C[5]C[5,5a]C)(H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]H)(CH3)2	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]H)(COO)	C[5](C[5]C[5,5a]CC)(C[5]C[5,5a]C)(H){1|C<3>,1|N<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]H)(CH3)2{1|S<4>,3|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]H)(COO){1|N<3>,2|C<3>,2|C<4>}	112.7450	0.000	1	112.7450	0.000	1	112.7450	0.000	1	109.7194	5.249	10	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:4:4:	3:3:3:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[5]Br)(C[5]C[5]H)(CH3)2	C[5](C[5]C[5]H)2(COO)	C[5](C[5]C[5]CC)(C[5]C[5]C)(H){1|Br<1>,1|H<1>}	C[5](C[5]C[5]Br)(C[5]C[5]H)(CH3)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]H)2(COO){1|Br<1>,2|C<4>}	110.9470	0.000	1	110.9470	0.000	1	110.9470	0.000	1	109.7194	5.249	10	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:4:4:	3:3:3:	C[5]-4:C[5]-3:O-1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]CC)(C[5]C[5]C)(O)	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3)	C[5](C[5]C[5]H)(C[5]C[5]O)(CCC)	C[5](C[5]C[5]CC)(C[5]C[5]C)(O){1|H<1>,1|O<1>}	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(C[5]C[5]O)(CCC){1|O<1>,2|C<4>}	109.9190	0.000	1	109.9190	0.000	1	109.9190	0.000	1	109.7194	5.249	10	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:4:4:	3:3:3:	C[5]-4:C[5]-3:O-1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:C[5]-3:N-3:	C[5](C[5]C[5]CC)(C[5]C[5]N)(O)	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3)	C[5](C[5]C[5]H)(C[5]C[5]O)(NCH)	C[5](C[5]C[5]CC)(C[5]C[5]N)(O){1|H<1>,1|O<1>}	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3){1|H<1>,1|N<3>}	C[5](C[5]C[5]H)(C[5]C[5]O)(NCH){1|O<1>,2|C<4>}	108.8438	0.324	4	108.8438	0.105	4	108.8438	0.105	4	109.7194	5.249	10	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:4:4:	3:3:3:	C[5]-4:C[5]-3:O-1:	C[5]-3:C[5]-3:C-4:C-4:	N[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]CC)(C[5]N[5]C)(O)	C[5](C[5]C[5]O)(C[5]N[5]C)(CCHH)2	C[5](N[5]C[5]Fe)(C[5]C[5]O)(CC[5a]H)	C[5](C[5]C[5]CC)(C[5]N[5]C)(O){1|Fe<5>,1|C<3>}	C[5](C[5]C[5]O)(C[5]N[5]C)(CCHH)2{1|Fe<5>,1|C<3>}	C[5](N[5]C[5]Fe)(C[5]C[5]O)(CC[5a]H){1|C<3>,2|C<4>}	107.0665	0.339	2	107.0665	0.115	2	107.0665	0.115	2	109.7194	5.249	10	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:4:4:	3:3:4:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:P-4:C-4:	C[5,6a]-3:C[5]-3:P-4:	C[5](C[5]C[5,6a]CP)(C[5]C[5,6a]P)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]2S)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]2S)	C[5](C[5]C[5,6a]CP)(C[5]C[5,6a]P)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]2S)(CH3){1|H<1>,1|P<4>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]2S){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	111.8200	0.000	1	111.8200	0.000	1	111.8200	0.000	1	109.1388	4.646	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:4:4:	3:3:4:	C[5]-4:C[5]-3:O-1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]CC)(C[5]C[5]C)(O)	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3)	C[5](C[5]C[5]H)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]CC)(C[5]C[5]C)(O){1|H<1>,1|O<1>}	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(C[5]C[5]O)(CH3){1|O<1>,2|C<4>}	109.1910	0.000	1	109.1910	0.000	1	108.2450	2.177	3	109.1388	4.646	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:4:4:	3:3:4:	C[5]-4:C[5]-3:O-1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]CC)(C[5]C[5]C)(O)	C[5](C[5]C[5]O)2(CN[5]HH)(CH3)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)	C[5](C[5]C[5]CC)(C[5]C[5]C)(O){1|C<4>,1|O<1>}	C[5](C[5]C[5]O)2(CN[5]HH)(CH3){2|C<4>}	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH){1|O<1>,2|C<4>}	106.5450	0.000	1	106.5450	0.000	1	108.2450	2.177	3	109.1388	4.646	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:4:4:	3:3:4:	C[5]-4:C[5]-3:O-1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]CC)(C[5]C[5]C)(O)	C[5](C[5]C[5]O)2(CN[5]HH)(CH3)	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]CC)(C[5]C[5]C)(O){1|C<4>,1|O<1>}	C[5](C[5]C[5]O)2(CN[5]HH)(CH3){2|C<4>}	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3){1|O<1>,2|C<4>}	108.9990	0.000	1	108.9990	0.000	1	108.2450	2.177	3	109.1388	4.646	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:4:4:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5]N[5]CC)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(CHHO)2	C[5](C[5]N[5]HH)(C[5]C[5]H)(H)	C[5](C[5]N[5]CC)(C[5]C[5]H)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]H)(N[5]C[5]C)(CHHO)2{3|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]H)(H){1|C<3>,2|C<4>}	112.0640	0.000	1	112.0640	0.000	1	112.0640	0.000	1	112.0640	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:4:4:	4:3:2:	C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:C[5]-3:C-2:	C[5](C[5]N[5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5]O)(CH3)2	C[5](C[5]N[5]CC)(C[5]C[5]H)(CC)	C[5](C[5]N[5]CC)(C[5]C[5]C)(H){1|O<1>,2|C<4>}	C[5](C[5]C[5]H)(N[5]C[5]O)(CH3)2{1|C<2>,2|C<4>}	C[5](C[5]N[5]CC)(C[5]C[5]H)(CC){1|O<1>,2|C<4>}	112.8570	0.202	2	112.8570	0.041	2	112.8570	0.041	2	112.8570	0.041	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:4:4:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5]N[5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5]O)(CH3)2	C[5](C[5]N[5]CC)(C[5]C[5]H)(CNO)	C[5](C[5]N[5]CC)(C[5]C[5]C)(H){1|O<1>,2|C<4>}	C[5](C[5]C[5]H)(N[5]C[5]O)(CH3)2{1|C<3>,2|C<4>}	C[5](C[5]N[5]CC)(C[5]C[5]H)(CNO){1|O<1>,2|C<4>}	113.4788	0.601	5	113.4788	0.361	5	113.3085	0.264	11	112.6380	2.902	13	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:4:4:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5]N[5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5]O)(CH3)2	C[5](C[5]N[5]CC)(C[5]C[5]H)(COO)	C[5](C[5]N[5]CC)(C[5]C[5]C)(H){1|O<1>,2|C<4>}	C[5](C[5]C[5]H)(N[5]C[5]O)(CH3)2{1|C<3>,2|C<4>}	C[5](C[5]N[5]CC)(C[5]C[5]H)(COO){1|O<1>,2|C<4>}	113.1667	0.432	6	113.1667	0.187	6	113.3085	0.264	11	112.6380	2.902	13	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:3:4:4:	4:3:3:	C[5]-4:C[5]-3:O-1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5]C[5]CC)(C[5]C[5]2)(O)	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3)	C[5](C[5]C[5]O[5]C)(C[5]C[5]H)(C[5]C[5]O)	C[5](C[5]C[5]CC)(C[5]C[5]2)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3){1|C<4>,1|H<1>}	C[5](C[5]C[5]O[5]C)(C[5]C[5]H)(C[5]C[5]O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	108.9500	0.174	2	108.9500	0.030	2	108.9500	0.030	2	112.6380	2.902	13	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:4:2:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]O[5]CH)(C[5]C[5]Br)(H)	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(Br)	C[5](C[5]O[5]CH)(C[5]C[5]Br)(H){1|O<1>}	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(H){1|Br<1>,1|O<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(Br){1|C<4>,1|H<1>}	108.6940	0.000	1	108.6940	0.000	1	108.6940	0.000	1	109.6395	0.150	19	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:4:2:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]O[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(CC[5a]CH)(O[5]C[5])(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(H)	C[5](C[5]O[5]CH)(C[5]C[5]H)(H){1|O<1>}	C[5](C[5]C[5]H)(CC[5a]CH)(O[5]C[5])(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(H){1|C<4>,1|H<1>}	110.0600	0.000	1	110.0600	0.000	1	109.6921	0.104	18	109.6395	0.150	19	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:4:2:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]O[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(CC[5a]CO)(O[5]C[5])(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(H)	C[5](C[5]O[5]CH)(C[5]C[5]H)(H){1|O<1>}	C[5](C[5]C[5]H)(CC[5a]CO)(O[5]C[5])(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(H){1|C<4>,1|H<1>}	109.6200	0.000	1	109.6200	0.000	1	109.6921	0.104	18	109.6395	0.150	19	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:4:2:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]O[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(H)	C[5](C[5]O[5]CH)(C[5]C[5]H)(H){1|O<1>}	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(H){1|C<4>,1|H<1>}	109.8925	0.520	4	109.8925	0.270	4	109.6921	0.104	18	109.6395	0.150	19	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:4:2:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]O[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(CC[6a]CN)(O[5]C[5])(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(H)	C[5](C[5]O[5]CH)(C[5]C[5]H)(H){1|O<1>}	C[5](C[5]C[5]H)(CC[6a]CN)(O[5]C[5])(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(H){1|C<4>,1|H<1>}	109.2970	0.000	1	109.2970	0.000	1	109.6921	0.104	18	109.6395	0.150	19	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:4:2:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]O[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(CC[6a]CO)(O[5]C[5])(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(H)	C[5](C[5]O[5]CH)(C[5]C[5]H)(H){1|O<1>}	C[5](C[5]C[5]H)(CC[6a]CO)(O[5]C[5])(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(H){1|C<4>,1|H<1>}	109.6174	0.165	8	109.6174	0.027	8	109.6921	0.104	18	109.6395	0.150	19	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:4:2:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]O[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(CC[6a]HO)(O[5]C[5])(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(H)	C[5](C[5]O[5]CH)(C[5]C[5]H)(H){1|O<1>}	C[5](C[5]C[5]H)(CC[6a]HO)(O[5]C[5])(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(H){1|C<4>,1|H<1>}	109.8050	0.348	2	109.8050	0.121	2	109.6921	0.104	18	109.6395	0.150	19	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:4:2:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]O[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(CC[6a]OP)(O[5]C[5])(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(H)	C[5](C[5]O[5]CH)(C[5]C[5]H)(H){1|O<1>}	C[5](C[5]C[5]H)(CC[6a]OP)(O[5]C[5])(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(H){1|C<4>,1|H<1>}	109.3610	0.000	1	109.3610	0.000	1	109.6921	0.104	18	109.6395	0.150	19	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:4:2:1:	3:3:2:	C[5]-4:C[5]-3:H-1:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-3:C[5]-3:S-2:	C[5](C[5]O[5]CH)(C[5]C[5]S)(H)	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(SC)	C[5](C[5]O[5]CH)(C[5]C[5]S)(H){1|O<1>}	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(H){1|O<1>,1|S<2>}	C[5](C[5]C[5]H)(C[5]O[5]O)(SC){1|C<4>,1|H<1>}	111.4733	0.586	3	111.4733	0.343	3	111.4733	0.343	3	111.4733	0.343	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:4:2:1:	3:3:3:	C[5]-4:C[5]-3:O-1:	C[5]-3:C-4:S[5]-2:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]S[5]CH)(C[5]C[5]C)(O)	C[5](C[5]C[5]O)(CC[6a]HH)(S[5]C[5])(H)	C[5](C[5]C[5]O)(C[5]S[5]N)(CNO)	C[5](C[5]S[5]CH)(C[5]C[5]C)(O){1|N<3>}	C[5](C[5]C[5]O)(CC[6a]HH)(S[5]C[5])(H){1|C<3>,1|N<3>}	C[5](C[5]C[5]O)(C[5]S[5]N)(CNO){1|C<4>,1|H<1>}	111.3640	1.096	2	111.3640	1.201	2	111.3640	1.201	2	111.3640	1.201	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:4:2:4:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C-4:O[5]-2:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]O[5]CC)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(CC[5a]CH)(O[5]C[5])(CH3)	C[5](C[5]C[5]H)(C[5]O[5]O)(H)	C[5](C[5]O[5]CC)(C[5]C[5]H)(H){1|O<1>}	C[5](C[5]C[5]H)(CC[5a]CH)(O[5]C[5])(CH3){1|H<1>,1|O<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(H){2|C<4>}	111.1900	0.000	1	111.1900	0.000	1	110.7550	0.165	7	110.3420	1.506	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:4:2:4:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C-4:O[5]-2:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]O[5]CC)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(CC[5a]HN)(O[5]C[5])(CH3)	C[5](C[5]C[5]H)(C[5]O[5]O)(H)	C[5](C[5]O[5]CC)(C[5]C[5]H)(H){1|O<1>}	C[5](C[5]C[5]H)(CC[5a]HN)(O[5]C[5])(CH3){1|H<1>,1|O<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(H){2|C<4>}	111.4110	0.000	1	111.4110	0.000	1	110.7550	0.165	7	110.3420	1.506	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:4:2:4:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C-4:O[5]-2:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]O[5]CC)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(CH3)	C[5](C[5]C[5]H)(C[5]O[5]O)(H)	C[5](C[5]O[5]CC)(C[5]C[5]H)(H){1|O<1>}	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(CH3){1|H<1>,1|O<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(H){2|C<4>}	110.5368	0.181	5	110.5368	0.033	5	110.7550	0.165	7	110.3420	1.506	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:4:2:4:	3:3:1:	C[5]-4:C[5]-3:O-1:	C[5]-3:C-4:O[5]-2:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]O[5]CC)(C[5]C[5]H)(O)	C[5](C[5]C[5]O)(CC[6a]CH)(O[5]C[5])(CH3)	C[5](C[5]C[6a]O[5])(C[5]C[5]O)(H)	C[5](C[5]O[5]CC)(C[5]C[5]H)(O){1|C<3>}	C[5](C[5]C[5]O)(CC[6a]CH)(O[5]C[5])(CH3){1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5])(C[5]C[5]O)(H){2|C<3>,2|C<4>}	107.4510	0.000	1	107.4510	0.000	1	107.4510	0.000	1	110.3420	1.506	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:4:2:4:	3:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-3:C-4:O[5]-2:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]O[5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(CH3)	C[5](C[5]C[5]H)(C[5]O[5]O)(CC[6a]CH)	C[5](C[5]O[5]CC)(C[5]C[5]C)(H){1|O<1>}	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(CH3){1|C<4>,1|O<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(CC[6a]CH){2|C<4>}	110.5680	0.000	1	110.5680	0.000	1	110.5680	0.000	1	110.5680	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:4:3:1:	3:2:3:	C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:C-3:	C[5](C[5]C[6a]C[5]H)(C[5]O[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(O[5]C[5])(COO)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]C)(H){4|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]H)(H){2|C<4>,3|C<3>}	C[5](C[5]C[5]H)(O[5]C[5])(COO){1|H<1>,3|C<3>}	110.3935	0.207	2	110.3935	0.043	2	110.3935	0.043	2	110.3935	0.043	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:4:3:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[5]C[6]2)(C[5]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)	C[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]H)(H){2|C<3>,3|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[5]C[6]2)(C[5]C[5]H)(H){1|Fe<10>,2|C<3>,4|C<4>,6|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|C<4>,2|C<3>,2|H<1>}	111.4330	0.000	1	111.4330	0.000	1	111.4330	0.000	1	112.4331	1.902	7	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:4:3:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(H)	C[5](C[5]C[6,6]C[5])(C[6]C[6]2O)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(H){1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[6,6]C[5])(C[6]C[6]2O)(C[5]C[5]H)(H){4|C<4>,7|H<1>}	C[5](C[5]C[5]H)2(H){1|H<1>,2|C<4>}	109.7140	0.000	1	109.7140	0.000	1	109.7140	0.000	1	112.4331	1.902	7	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:4:3:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5a]C[5]H)(C[5]C[5]H)(H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]H)(H){2|H<1>,3|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|C<3>,3|H<1>}	112.9720	0.000	1	112.9720	0.000	1	113.1770	0.063	5	112.4331	1.902	7	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:4:3:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5a]C[5]H)(C[5]C[5]H)(H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HN)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HN)(C[5]C[5]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|C<3>,1|N<3>,2|H<1>}	112.9570	0.000	1	112.9570	0.000	1	113.1770	0.063	5	112.4331	1.902	7	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:4:3:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5a]C[5]H)(C[5]C[5]H)(H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]H)(H){1|H<1>,4|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5]H)(C[5]C[5]H)(H){1|N<3>,2|H<1>,5|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){2|C<3>,2|H<1>}	113.3360	0.000	1	113.3360	0.000	1	113.1770	0.063	5	112.4331	1.902	7	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:4:3:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5a]C[5]H)(C[5]C[5]H)(H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]2C[5])(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]H)(H){1|O<1>,4|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]2C[5])(C[5]C[5]H)(H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5](C[5]C[5]H)(C[5]C[5]O)(H){1|H<1>,3|C<3>}	113.3100	0.317	2	113.3100	0.100	2	113.1770	0.063	5	112.4331	1.902	7	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:4:3:1:	3:3:3:	C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(H){1|H<1>,1|S<4>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]H)(H){1|S<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S){4|C<3>,4|H<1>}	112.3160	0.216	2	112.3160	0.047	2	112.3160	0.047	2	112.3160	0.047	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:4:3:1:	3:3:4:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:B-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]BH)(C[5]C[5,6a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(BC[6a]2N[6])(C[5]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCCH)	C[5](C[5]C[5,6a]BH)(C[5]C[5,6a]C)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(BC[6a]2N[6])(C[5]C[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCCH){1|B<4>,2|C<3>,2|H<1>}	112.3870	0.000	1	112.3870	0.000	1	112.3870	0.000	1	112.2330	0.047	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:4:3:1:	3:3:4:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[3]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[3]H)(C[5]C[5,6a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]2H)(C[5]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CHHN)	C[5](C[5]C[5,6a]C[3]H)(C[5]C[5,6a]C)(H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]2H)(C[5]C[5]H)(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CHHN){1|C<4>,2|C<3>,2|H<1>}	112.0790	0.000	1	112.0790	0.000	1	112.0790	0.000	1	112.2330	0.047	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:4:3:1:	3:4:3:	C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(H){2|H<1>,6|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)(H){3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H){3|H<1>,5|C<3>}	113.0690	0.000	1	113.0690	0.000	1	114.1520	2.346	2	114.1520	2.346	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:4:3:1:	3:4:3:	C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]C[5]H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(H){1|O<2>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)(H){1|O<2>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]C[5]H){1|N<3>,3|C<3>,4|H<1>}	115.2350	0.000	1	115.2350	0.000	1	114.1520	2.346	2	114.1520	2.346	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:4:3:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HN)(C[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HN)(C[5]C[5]H)(H){3|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H){1|C<3>,1|N<3>,2|H<1>}	112.4860	0.216	2	112.4860	0.047	2	112.7365	0.786	4	112.4911	0.703	7	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:4:3:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]H)(H){1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H){1|C<3>,1|N<3>,2|H<1>}	114.0020	0.000	1	112.9870	2.060	2	112.7365	0.786	4	112.4911	0.703	7	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:4:3:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]H)(H){3|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H){1|C<3>,1|N<3>,2|H<1>}	111.9720	0.000	1	112.9870	2.060	2	112.7365	0.786	4	112.4911	0.703	7	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:4:3:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	N[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	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)	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)	C[5](C[5]N[5a]C[5]H)(C[5]C[5]H)(H){1|C<4>,2|C<3>,3|H<1>}	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>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(H){1|N<3>,3|H<1>}	111.3270	0.000	1	111.3270	0.000	1	111.7785	0.408	2	112.4911	0.703	7	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:4:3:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	N[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	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)	C[5](C[5]C[5]HO)(C[5]C[5]H)(H)	C[5](C[5]N[5a]C[5]H)(C[5]C[5]H)(H){1|O<2>,2|C<3>,3|H<1>}	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>}	C[5](C[5]C[5]HO)(C[5]C[5]H)(H){1|N<3>,3|H<1>}	112.2300	0.000	1	112.2300	0.000	1	111.7785	0.408	2	112.4911	0.703	7	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:4:3:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	N[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]N[6a]C[5]H)(C[5]C[5]H)(H)	C[5](N[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]FF)(C[5]C[5]H)(H)	C[5](C[5]N[6a]C[5]H)(C[5]C[5]H)(H){1|C<4>,1|H<1>,2|C<3>,2|F<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]H)(H){1|C<3>,1|N<3>,1|O<1>,2|F<1>,2|H<1>}	C[5](C[5]C[5]FF)(C[5]C[5]H)(H){1|C<4>,1|N<3>,2|H<1>}	112.9350	0.000	1	112.9350	0.000	1	112.9350	0.000	1	112.4911	0.703	7	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:4:3:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(COO)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(H){2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]H)(H){1|N<2>,3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(COO){2|H<1>,4|C<3>}	112.7200	0.000	1	112.7200	0.000	1	113.7390	0.595	4	113.7390	0.595	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:4:3:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(COO)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]H)(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(COO){2|C<3>,2|H<1>}	114.3340	0.099	2	114.3340	0.010	2	113.7390	0.595	4	113.7390	0.595	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:4:3:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CN[6]O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]H)(H){3|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(CN[6]O){1|C<3>,1|C<4>,2|H<1>}	113.5680	0.000	1	113.5680	0.000	1	113.7390	0.595	4	113.7390	0.595	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:4:3:2:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]C[5]O[5])(C[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]H)(O[5]C[5])	C[5](C[5]C[5]H)(C[5]O[5]O)(H)	C[5](C[5]C[6a]C[5]O[5])(C[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]H)(O[5]C[5]){1|N<3>,1|O<1>,3|C<3>,7|H<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(H){1|C<3>,1|C<4>}	109.7550	0.000	1	109.7550	0.000	1	109.7550	0.000	1	109.7550	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:4:3:2:	3:3:3:	C[5]-4:C[5]-3:O-1:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(O)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]O)(OH)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]C[5]O)	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(O){1|H<1>,2|C<4>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]O)(OH){3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]C[5]O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	108.1670	0.000	1	108.1670	0.000	1	108.1670	0.000	1	108.1670	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:4:3:2:	3:3:4:	C[5]-4:C[5]-3:O-1:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]C[5]O)(C[5]C[5]C)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)(OH)	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]C)(O){1|C<4>,1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)(OH){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	108.0440	0.000	1	108.0440	0.000	1	108.6325	0.693	2	108.6325	0.693	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:4:3:2:	3:3:4:	C[5]-4:C[5]-3:O-1:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]C[5]O)(C[5]C[5]C)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(OH)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCCH)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]C)(O){1|C<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(OH){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(CCCH){1|C<3>,1|O<2>,2|H<1>}	109.2210	0.000	1	109.2210	0.000	1	108.6325	0.693	2	108.6325	0.693	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:4:3:4:	3:3:2:	C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-3:O[5]-2:	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]O[5])(H)	C[5](C[6a]C[6a]2)(C[5]O[5]HN)(C[5]C[5]H)(CF3)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]O[5])(H){1|H<1>,1|N<3>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]HN)(C[5]C[5]H)(CF3){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	110.3600	0.000	1	110.3600	0.000	1	110.3600	0.000	1	109.3705	1.958	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:4:3:4:	3:3:2:	C[5]-4:C[5]-3:O-1:	C[5a]-3:C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[5a]C[5]C)(C[5]C[5]O)(O)	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]H)(C[5]C[5]O)(OH)	C[5](C[5]C[5a]C[5]C)(C[5]C[5]O)(O){2|C<3>,3|H<1>}	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]O)(CH3){1|C<3>,1|O<2>,2|H<1>,2|S<2>}	C[5](C[5]C[5]H)(C[5]C[5]O)(OH){1|C<3>,1|C<4>,2|H<1>}	108.3810	0.000	1	108.3810	0.000	1	108.3810	0.000	1	109.3705	1.958	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:4:3:4:	4:3:1:	C[5]-4:C[5]-3:O-1:	C[5a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5a]C[5]C)(C[5]C[5]O)(O)	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5a]2C[5])(C[5]C[5]O)(O)	C[5](C[5]C[5a]C[5]C)(C[5]C[5]O)(O){2|H<1>,4|C<3>}	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]O)(CH3){1|H<1>,1|O<1>,2|S<2>,3|C<3>}	C[5](C[5]C[5a]2C[5])(C[5]C[5]O)(O){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	108.8650	0.000	1	108.8650	0.000	1	108.8650	0.000	1	108.8650	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	3:4:4:3:	3:4:3:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[6]-4:C[5]-3:	C[5](C[5]C[5,6a]C[6]2)(C[5]C[5,6a]C[6])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)2(C[5]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]C[5]H)	C[5](C[5]C[5,6a]C[6]2)(C[5]C[5,6a]C[6])(H){2|C<3>,3|H<1>,6|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)2(C[5]C[5]H){2|C<3>,5|C<4>,9|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]C[5]H){2|C<3>,4|C<4>,5|H<1>}	113.3860	0.000	1	113.3860	0.000	1	113.3860	0.000	1	113.3860	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:2:3:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5,6]-4:O[5]-2:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]O[5]H)(C[5]C[5,5]H)(H)	C[5](C[5,6]C[5,6]C[5]O[6])(O[5]C[5,5])(C[5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5,6]O[5])(C[5]C[5]H)(H)	C[5](C[5]C[5,6]O[5]H)(C[5]C[5,5]H)(H){1|C<3>,1|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[5]O[6])(O[5]C[5,5])(C[5]C[5]H)(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,5]C[5,5]C[5,6]O[5])(C[5]C[5]H)(H){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	107.4370	0.000	1	107.4370	0.000	1	107.4370	0.000	1	108.3384	0.689	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:2:3:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:O[5]-2:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]H)(H)	C[5](C[5]C[5]2H)(O[5]C[5,5])(C[5]C[5]H)(H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5](C[5]C[5]2H)(O[5]C[5,5])(C[5]C[5]H)(H){1|H<1>,1|O<1>,6|C<4>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(H){4|C<4>,4|H<1>}	109.2170	0.000	1	108.8600	0.255	2	108.8600	0.255	2	108.3384	0.689	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:2:3:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:O[5]-2:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]H)(H)	C[5](C[5]C[5]2H)(O[5]C[5,5])(C[5]C[5]H)(H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5]2H)(O[5]C[5,5])(C[5]C[5]H)(H){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(H){1|C<3>,3|C<4>,4|H<1>}	108.5030	0.000	1	108.8600	0.255	2	108.8600	0.255	2	108.3384	0.689	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:2:3:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[6]-4:O[5]-2:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[6]O[5]H)(C[5]C[5,5]H)(H)	C[5](C[6]C[6,6a]C[6]O)(O[5]C[5,5])(C[5]C[5]H)(H)	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]H)(H)	C[5](C[5]C[6]O[5]H)(C[5]C[5,5]H)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>}	C[5](C[6]C[6,6a]C[6]O)(O[5]C[5,5])(C[5]C[5]H)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]H)(H){2|C<3>,2|C<4>,3|H<1>}	108.4960	0.000	1	108.4960	0.000	1	107.8857	0.823	3	108.3384	0.689	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:2:3:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[6]-4:O[5]-2:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[6]O[5]H)(C[5]C[5,5]H)(H)	C[5](C[6]C[6]O[6]C)(O[5]C[5,5])(C[5]C[5]H)(H)	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]H)(H)	C[5](C[5]C[6]O[5]H)(C[5]C[5,5]H)(H){1|C<3>,1|O<2>,3|C<4>}	C[5](C[6]C[6]O[6]C)(O[5]C[5,5])(C[5]C[5]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]H)(H){2|C<3>,3|C<4>,3|H<1>}	107.5805	1.043	2	107.5805	1.088	2	107.8857	0.823	3	108.3384	0.689	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:2:3:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[6]-4:O[5]-2:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[6]O[5]H)(C[5]C[5,6]H)(H)	C[5](C[6]C[6,6a]C[6]O)(O[5]C[5,6])(C[5]C[5]H)(H)	C[5](C[5,6]C[6]N[6]O[5])(C[5]C[5]H)(H)	C[5](C[5]C[6]O[5]H)(C[5]C[5,6]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5](C[6]C[6,6a]C[6]O)(O[5]C[5,6])(C[5]C[5]H)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5,6]C[6]N[6]O[5])(C[5]C[5]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	108.9465	0.457	2	108.9465	0.209	2	108.9465	0.209	2	108.3384	0.689	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:2:3:4:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5]-4:O[5]-2:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-3:	C[5](C[5]C[5]O[5]C)(C[5]C[5,5]C)(H)	C[5](C[5]C[5,6a]C[5]O)(O[5]C[5,5])(C[5]C[5]H)(CH3)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]H)(COO)	C[5](C[5]C[5]O[5]C)(C[5]C[5,5]C)(H){1|O<2>,4|C<3>}	C[5](C[5]C[5,6a]C[5]O)(O[5]C[5,5])(C[5]C[5]H)(CH3){1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]H)(COO){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	111.2360	0.000	1	111.2360	0.000	1	111.2360	0.000	1	111.2360	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	2:3:3:	C[5]-4:C[5]-3:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	O[5]-2:C[5]-3:C-3:	C[5](C[5]C[5,5]HH)(C[5]O[5]C)(O)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]O)(H)2	C[5](O[5]C[5,5])(C[5]C[5]O)(CC[6a]H)	C[5](C[5]C[5,5]HH)(C[5]O[5]C)(O){2|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]O)(H)2{1|N<3>,1|O<1>,3|C<3>}	C[5](O[5]C[5,5])(C[5]C[5]O)(CC[6a]H){2|C<3>,2|H<1>}	106.9500	0.000	1	106.9500	0.000	1	106.9500	0.000	1	106.9500	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	2:3:4:	C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	O[5]-2:C[5]-3:C-4:	C[5](C[5]C[5,5]HH)(C[5]O[5]C)(H)	C[5](C[5,5]N[5]2O[5])(C[5]C[5]H)(H)2	C[5](O[5]C[5,5])(C[5]C[5]H)(CH3)	C[5](C[5]C[5,5]HH)(C[5]O[5]C)(H){2|N<3>}	C[5](C[5,5]N[5]2O[5])(C[5]C[5]H)(H)2{2|C<3>,3|C<4>}	C[5](O[5]C[5,5])(C[5]C[5]H)(CH3){2|H<1>,2|N<3>}	109.9080	0.000	1	109.9080	0.000	1	109.9080	0.000	1	110.5570	0.842	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	2:3:4:	C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	O[5]-2:C[5]-3:C-4:	C[5](C[5]C[5,6]HH)(C[5]O[5]C)(H)	C[5](C[5,6]N[6]2O[5])(C[5]C[5]H)(H)2	C[5](O[5]C[5,6])(C[5]C[5]H)(CH3)	C[5](C[5]C[5,6]HH)(C[5]O[5]C)(H){2|N<3>}	C[5](C[5,6]N[6]2O[5])(C[5]C[5]H)(H)2{1|C<4>,4|C<3>}	C[5](O[5]C[5,6])(C[5]C[5]H)(CH3){2|H<1>,2|N<3>}	111.2060	0.000	1	111.2060	0.000	1	111.2060	0.000	1	110.5570	0.842	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:2:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:O[5]-2:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]H)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]H)(H)2	C[5](C[5]C[5]H)(O[5]C[5])(H)	C[5](C[5]C[5]HH)(C[5]O[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]H)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5]H)(O[5]C[5])(H){1|C<3>,3|H<1>}	109.3610	0.000	1	109.3610	0.000	1	109.3610	0.000	1	109.3610	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:2:3:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:O[5]-2:C-3:	C[5](C[5]C[5]HH)(C[5]O[5]C)(O)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]O)(H)2	C[5](C[5]C[5]O)(O[5]C[5])(CCH)	C[5](C[5]C[5]HH)(C[5]O[5]C)(O){1|C<3>,1|C<4>}	C[5](C[5]C[6a]O[5]C)(C[5]C[5]O)(H)2{3|C<3>}	C[5](C[5]C[5]O)(O[5]C[5])(CCH){1|C<3>,1|C<4>,2|H<1>}	107.6710	0.000	1	107.6710	0.000	1	107.6710	0.000	1	107.6710	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:2:4:	C[5]-4:C[5]-3:H-1:	Ge[5]-4:C[5]-3:H-1:H-1:	C[5]-3:O[5]-2:C-4:	C[5](C[5]Ge[5]HH)(C[5]O[5]C)(H)	C[5](Ge[5]O[5]CO)(C[5]C[5]H)(H)2	C[5](C[5]C[5]H)(O[5]Ge[5])(CCHH)	C[5](C[5]Ge[5]HH)(C[5]O[5]C)(H){1|C<4>,1|O<2>}	C[5](Ge[5]O[5]CO)(C[5]C[5]H)(H)2{1|C<4>}	C[5](C[5]C[5]H)(O[5]Ge[5])(CCHH){1|C<4>,1|O<2>,2|H<1>}	118.6110	0.000	1	118.6110	0.000	1	118.6110	0.000	1	118.6110	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[5]-3:H-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]H)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]H)(H){3|C<4>,3|H<1>}	112.4520	0.000	1	112.4520	0.000	1	112.4520	0.000	1	108.5181	2.832	39	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5,6]HH)(C[5]C[5]H)(H)	C[5](C[5,6]C[5]O[6]2)(C[5]C[5]H)(H)2	C[5](C[5]C[5,6]H)(C[5]C[5]H)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5]H)(H){1|H<1>,2|O<2>}	C[5](C[5,6]C[5]O[6]2)(C[5]C[5]H)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5,6]H)(C[5]C[5]H)(H){2|H<1>,2|O<2>}	106.6790	0.000	1	106.6790	0.000	1	106.6790	0.000	1	108.5181	2.832	39	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]Ir)(C[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H){1|Ir<6>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|Ir<6>,1|H<1>}	C[5](C[5]C[5]Ir)(C[5]C[5]H)(H){4|H<1>}	112.0450	0.000	1	112.0450	0.000	1	112.2560	0.089	2	108.5181	2.832	39	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5]SiH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H){1|Si<4>,1|C<3>,1|H<1>}	C[5](C[5]C[5]SiH)(C[5]C[5]H)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|Si<4>,3|H<1>}	112.4670	0.000	1	112.4670	0.000	1	112.2560	0.089	2	108.5181	2.832	39	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]H)(H)	C[5](C[5]N[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]H)(N[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]N[5]H)(H){1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]H)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(N[5]C[5]C)(H){4|H<1>}	110.9870	0.000	1	110.9870	0.000	1	110.9870	0.000	1	108.5181	2.832	39	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)	C[5](C[5]C[6a]N[5]C)(C[5]C[5]H)(H)2	C[5](C[5]C[5]H)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H){1|C<4>,2|C<3>}	C[5](C[5]C[6a]N[5]C)(C[5]C[5]H)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5](C[5]C[5]H)(N[5]C[5]C)(O){2|C<3>,2|H<1>}	106.8750	0.000	1	106.8750	0.000	1	106.8750	0.000	1	108.5181	2.832	39	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	O[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]H)(H)	C[5](C[5]O[5]HH)(C[5]C[5]H)(H)2	C[5](O[5]C[5]Li)(C[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]O[5]H)(H){1|Li<4>,2|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]H)(H)2{1|Li<4>,1|H<1>}	C[5](O[5]C[5]Li)(C[5]C[5]H)(H){4|H<1>}	109.2560	0.000	2	109.2560	0.000	2	109.2560	0.000	2	108.5181	2.832	39	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	N[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]HH)(C[5]C[5]H)(H)	C[5](N[5]C[5]CH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](C[5]N[5]HH)(C[5]C[5]H)(H){1|C<3>,2|H<1>}	C[5](N[5]C[5]CH)(C[5]C[5]H)(H)2{2|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]H)(H){1|C<3>,3|H<1>}	107.5300	0.000	1	107.5300	0.000	1	107.5300	0.000	1	108.5181	2.832	39	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:1:	C[5]-4:C[5]-3:I-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:I-1:	C[5](C[5]C[5]HH)(C[5]N[5]I)(I)	C[5](C[5]N[5]CH)(C[5]C[5]I)(H)2	C[5](C[5]C[5]I)(N[5]C[5]S)(I)	C[5](C[5]C[5]HH)(C[5]N[5]I)(I){1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]N[5]CH)(C[5]C[5]I)(H)2{1|I<1>,1|S<4>}	C[5](C[5]C[5]I)(N[5]C[5]S)(I){1|C<4>,3|H<1>}	111.2140	0.000	1	111.2140	0.000	1	111.2140	0.000	1	108.5181	2.832	39	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:1:	C[5]-4:C[5]-3:O-1:	C[3x5]-4:C[5]-3:H-1:H-1:	C[5,5]-3:C[5]-3:H-1:	C[5](C[5]C[3x5]HH)(C[5]C[5,5]H)(O)	C[5](C[3x5]C[5,5,6]C[5,5]C[5])(C[5]C[5]O)(H)2	C[5](C[5,5]C[3x5]C[5])(C[5]C[5]O)(H)	C[5](C[5]C[3x5]HH)(C[5]C[5,5]H)(O){3|C<4>}	C[5](C[3x5]C[5,5,6]C[5,5]C[5])(C[5]C[5]O)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5](C[5,5]C[3x5]C[5])(C[5]C[5]O)(H){3|C<4>,4|H<1>}	106.8640	0.352	2	106.8640	0.124	2	106.8640	0.124	2	108.5181	2.832	39	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:1:	C[5]-4:C[5]-3:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-3:C[5]-3:H-1:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(O)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(H)2	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]O)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(O){1|H<1>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]O)(H){2|C<4>,5|H<1>}	107.8410	0.000	1	107.8410	0.000	1	107.8410	0.000	1	108.5181	2.832	39	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:1:	C[5]-4:C[5]-3:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[5]-3:H-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]O)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(O){1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]O)(H){1|N<3>,2|C<4>,4|H<1>}	108.0260	0.000	2	108.0260	0.000	2	108.0363	0.293	7	108.5181	2.832	39	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:1:	C[5]-4:C[5]-3:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[5]-3:H-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(O){1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(H){2|C<4>,5|H<1>}	107.5665	0.131	2	107.6367	0.023	3	108.0363	0.293	7	108.5181	2.832	39	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:1:	C[5]-4:C[5]-3:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[5]-3:H-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(O){1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(H){2|C<4>,5|H<1>}	107.7770	0.000	1	107.6367	0.023	3	108.0363	0.293	7	108.5181	2.832	39	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:1:	C[5]-4:C[5]-3:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[5]-3:H-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	C[5](C[5,6]C[5,6]N[5,6])(C[5]C[5]O)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(O){1|C<4>,1|H<1>,1|N<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[5](C[5,6]C[5,6]N[5,6])(C[5]C[5]O)(H){3|C<4>,3|H<1>}	109.1410	0.000	1	109.1410	0.000	1	108.0363	0.293	7	108.5181	2.832	39	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:1:	C[5]-4:C[5]-3:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[5]-3:H-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	C[5](C[5,6]C[5,6]N[6,6])(C[5]C[5]O)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(O){1|C<4>,1|H<1>,1|N<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[5](C[5,6]C[5,6]N[6,6])(C[5]C[5]O)(H){3|C<4>,3|H<1>}	108.1510	0.000	1	108.1510	0.000	1	108.0363	0.293	7	108.5181	2.832	39	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:1:	C[5]-4:C[5]-3:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5,6]HH)(C[5]C[5]H)(O)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(H)2	C[5](C[5]C[5,6]O)(C[5]C[5]O)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5]H)(O){1|C<3>,1|C<4>,1|O<2>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]C[5,6]O)(C[5]C[5]O)(H){1|C<3>,1|C<4>,2|H<1>}	108.6180	0.000	1	108.6180	0.000	1	108.6180	0.000	1	108.5181	2.832	39	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:1:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:F-1:F-1:	C[5]-3:C[5]-3:F-1:	C[5](C[5]C[5]FF)(C[5]C[5]F)(O)	C[5](C[5]C[5]FF)(C[5]C[5]O)(F)2	C[5](C[5]C[5]C)(C[5]C[5]O)(F)	C[5](C[5]C[5]FF)(C[5]C[5]F)(O){1|C<3>,2|F<1>}	C[5](C[5]C[5]FF)(C[5]C[5]O)(F)2{1|C<3>,1|F<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(F){4|F<1>}	104.5390	0.000	1	104.5390	0.000	1	104.5390	0.000	1	108.5181	2.832	39	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:1:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(O)	C[5](C[5]C[5]2H)(C[5]C[5]O)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(O){1|H<1>,2|C<4>}	C[5](C[5]C[5]2H)(C[5]C[5]O)(H)2{2|H<1>,3|C<4>}	C[5](C[5]C[5]C)(C[5]C[5]O)(H){1|C<4>,3|H<1>}	107.5063	0.271	3	107.5063	0.073	3	108.3802	1.061	17	108.5181	2.832	39	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:1:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(O){1|H<1>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(H){1|C<4>,3|H<1>}	108.0650	0.000	1	108.0650	0.000	1	108.3802	1.061	17	108.5181	2.832	39	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:1:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[4]C[5])(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(O){1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[4]C[5])(C[5]C[5]O)(H){2|C<4>,5|H<1>}	107.6230	0.000	1	107.6230	0.000	1	108.3802	1.061	17	108.5181	2.832	39	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:1:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(O){1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(H){4|H<1>}	106.9785	0.477	2	106.9785	0.228	2	108.3802	1.061	17	108.5181	2.832	39	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:1:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]N)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(O){1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|H<1>,1|N<3>}	C[5](C[5]C[5]N)(C[5]C[5]O)(H){4|H<1>}	109.3440	0.082	2	109.3440	0.007	2	108.3802	1.061	17	108.5181	2.832	39	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:1:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]O)2(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(O){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|H<1>,1|O<1>}	C[5](C[5]C[5]O)2(H){4|H<1>}	109.6925	0.430	4	109.4632	0.402	5	108.3802	1.061	17	108.5181	2.832	39	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:1:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]O)2(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(O){1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|H<1>,1|O<2>}	C[5](C[5]C[5]O)2(H){4|H<1>}	108.5460	0.000	1	109.4632	0.402	5	108.3802	1.061	17	108.5181	2.832	39	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:1:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(O){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(H){2|C<3>,4|H<1>}	107.8900	0.000	1	107.8900	0.000	1	108.3802	1.061	17	108.5181	2.832	39	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:1:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(O)	C[5](C[5]C[5]N[5]H)(C[5]C[5]O)(H)2	C[5](C[5]C[5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(O){1|N<3>,2|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]O)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5]H)(C[5]C[5]O)(H){1|N<3>,3|H<1>}	108.0110	0.000	1	108.0110	0.000	1	108.3802	1.061	17	108.5181	2.832	39	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:1:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2	C[5](C[5]C[5]N)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(O){1|C<3>,1|H<1>,1|N<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[5]N)(C[5]C[5]O)(H){1|C<3>,3|H<1>}	108.3950	0.000	1	108.3950	0.000	1	108.3802	1.061	17	108.5181	2.832	39	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:2:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]H)(C[5]C[5]O)(OH)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|O<1>,1|O<2>}	C[5](C[5]C[5]H)(C[5]C[5]O)(OH){4|H<1>}	111.6347	0.235	3	111.6347	0.055	3	112.0143	0.613	4	108.3582	3.559	22	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:2:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)	C[5](C[5]C[5a]C[5]C)(C[5]C[5]H)(H)2	C[5](C[5]C[5]H)(C[5]C[5]O)(OH)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H){1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[5a]C[5]C)(C[5]C[5]H)(H)2{1|O<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5]H)(C[5]C[5]O)(OH){1|C<3>,1|C<4>,2|H<1>}	113.1530	0.000	1	113.1530	0.000	1	112.0143	0.613	4	108.3582	3.559	22	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:2:	C[5]-4:C[5]-3:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[5,5]HH)(C[5]C[5]O)(O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(H)2	C[5](C[5]C[5,5]C[6a])(C[5]C[5]O)(OH)	C[5](C[5]C[5,5]HH)(C[5]C[5]O)(O){3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(H)2{1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5]O)(OH){2|H<1>,4|C<3>}	107.4650	0.007	2	107.4650	0.000	2	107.4650	0.000	2	108.3582	3.559	22	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:2:	C[5]-4:C[5]-3:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:S-2:	C[5](C[5]C[5,5]HH)(C[5]C[5]S)(O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(H)2	C[5](C[5]C[5,5]C[6a])(C[5]C[5]O)(SC[6a])	C[5](C[5]C[5,5]HH)(C[5]C[5]S)(O){1|C<4>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(H)2{1|C<4>,1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5]O)(SC[6a]){1|C<4>,2|H<1>,3|C<3>}	107.3910	0.000	1	107.2165	0.061	2	107.2165	0.061	2	108.3582	3.559	22	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:2:	C[5]-4:C[5]-3:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:S-2:	C[5](C[5]C[5,5]HH)(C[5]C[5]S)(O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(H)2	C[5](C[5]C[5,5]C[6a])(C[5]C[5]O)(SC[6a])	C[5](C[5]C[5,5]HH)(C[5]C[5]S)(O){1|C<4>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(H)2{1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5]O)(SC[6a]){1|C<4>,2|H<1>,3|C<3>}	107.0420	0.000	1	107.2165	0.061	2	107.2165	0.061	2	108.3582	3.559	22	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:2:	C[5]-4:C[5]-3:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[5]-3:O-2:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(O)	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]O)(H)2	C[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]O)(OH)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(O){1|C<3>,1|C<4>,1|O<2>}	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]O)(H)2{1|O<2>,2|C<3>}	C[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]O)(OH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	107.9940	0.000	1	107.9940	0.000	1	107.9940	0.000	1	108.3582	3.559	22	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:2:	C[5]-4:C[5]-3:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[5,6]HH)(C[5]C[5]O)(O)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(H)2	C[5](C[5]C[5,6]C[5a])(C[5]C[5]O)(OH)	C[5](C[5]C[5,6]HH)(C[5]C[5]O)(O){3|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6]C[5a])(C[5]C[5]O)(OH){2|H<1>,4|C<3>}	107.8800	0.000	1	107.8800	0.000	1	107.8800	0.000	1	108.3582	3.559	22	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:2:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:I-2:	C[5](C[5]C[5]HH)(C[5]C[5]I)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]O)2(IC[6a])	C[5](C[5]C[5]HH)(C[5]C[5]I)(O){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|I<2>,1|O<1>}	C[5](C[5]C[5]O)2(IC[6a]){4|H<1>}	107.5145	0.451	4	107.5145	0.204	4	107.5145	0.204	4	108.3582	3.559	22	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:2:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[5]HH)(C[5]C[5]O)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(OH)	C[5](C[5]C[5]HH)(C[5]C[5]O)(O){1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,1|O<2>}	C[5](C[5]C[5]C)(C[5]C[5]O)(OH){4|H<1>}	108.1893	0.214	3	108.1893	0.046	3	107.5660	0.906	8	108.3582	3.559	22	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:2:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[5]HH)(C[5]C[5]O)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]H)(C[5]C[5]O)(OH)	C[5](C[5]C[5]HH)(C[5]C[5]O)(O){3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|H<1>,1|O<2>}	C[5](C[5]C[5]H)(C[5]C[5]O)(OH){4|H<1>}	107.8800	0.629	3	107.8800	0.396	3	107.5660	0.906	8	108.3582	3.559	22	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:2:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[5]HH)(C[5]C[5]O)(O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(OC)	C[5](C[5]C[5]HH)(C[5]C[5]O)(O){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]O)(OC){1|C<3>,3|H<1>}	106.1600	0.204	2	106.1600	0.041	2	107.5660	0.906	8	108.3582	3.559	22	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:3:	C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[5]-3:C-3:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]H)(CCC)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H){1|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]H)(CCC){3|C<4>,3|H<1>}	112.4320	0.000	1	112.4320	0.000	1	112.4320	0.000	1	109.5712	8.278	17	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]H)(C[5]C[5]O)(CCN)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[5]H)(C[5]C[5]O)(CCN){4|H<1>}	114.0245	0.462	2	114.0245	0.213	2	113.6502	0.258	4	109.5712	8.278	17	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]H)(C[5]C[5]O)(COO)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|C<3>,1|O<2>}	C[5](C[5]C[5]H)(C[5]C[5]O)(COO){4|H<1>}	113.2760	0.000	2	113.2760	0.000	2	113.6502	0.258	4	109.5712	8.278	17	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:N-3:	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]H)(C[5]C[5]O)(NCH)	C[5](C[5]C[5]HH)(C[5]C[5]N)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|N<3>,1|O<1>}	C[5](C[5]C[5]H)(C[5]C[5]O)(NCH){4|H<1>}	112.5840	0.000	1	112.5840	0.000	1	112.5840	0.000	1	109.5712	8.278	17	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:3:	C[5]-4:C[5]-3:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5,5]HH)(C[5]C[5]C)(O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(H)2	C[5](C[5]C[5,5]C[6a])(C[5]C[5]O)(CC[6a]O)	C[5](C[5]C[5,5]HH)(C[5]C[5]C)(O){3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(H)2{1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5]O)(CC[6a]O){2|H<1>,4|C<3>}	107.4880	0.000	1	107.4880	0.000	1	107.4880	0.000	1	109.5712	8.278	17	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:3:	C[5]-4:C[5]-3:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[5]-3:C-3:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CCC)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(O){1|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CCC){1|C<3>,2|C<4>,3|H<1>}	107.6425	0.439	2	107.6425	0.193	2	107.6425	0.193	2	109.5712	8.278	17	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:3:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]H)(C[5]C[5]O)(CCN)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(C[5]C[5]O)(CCN){4|H<1>}	107.7445	0.088	2	107.7445	0.008	2	107.4190	0.244	4	109.5712	8.278	17	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:3:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]HS)(C[5]C[5]O)(H)2	C[5](C[5]C[5]Si)(C[5]C[5]O)(COO)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|Si<4>,1|H<1>,1|S<4>}	C[5](C[5]C[5]HS)(C[5]C[5]O)(H)2{1|Si<4>,1|C<3>}	C[5](C[5]C[5]Si)(C[5]C[5]O)(COO){1|S<4>,3|H<1>}	106.7050	0.000	1	106.7050	0.000	1	107.4190	0.244	4	109.5712	8.278	17	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:3:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]C)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|H<1>,2|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2{4|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]C){1|C<3>,3|H<1>}	107.4820	0.000	1	107.4820	0.000	1	107.4190	0.244	4	109.5712	8.278	17	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:3:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5]HH)(C[5]C[5]2)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[5]HH)(C[5]C[5]2)(O){1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>}	C[5](C[5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){1|C<4>,1|N<3>,7|H<1>}	108.6600	0.000	1	108.6600	0.000	1	108.6600	0.000	1	109.5712	8.278	17	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:3:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:N-3:	C[5](C[5]C[5]HH)(C[5]C[5]N)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]H)(C[5]C[5]O)(NCH)	C[5](C[5]C[5]HH)(C[5]C[5]N)(O){3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|H<1>,1|N<3>}	C[5](C[5]C[5]H)(C[5]C[5]O)(NCH){4|H<1>}	107.8980	0.000	1	107.8980	0.000	1	107.3045	0.704	2	109.5712	8.278	17	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:3:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:N-3:	C[5](C[5]C[5]HH)(C[5]C[5]N)(O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(NC[6a]H)	C[5](C[5]C[5]HH)(C[5]C[5]N)(O){1|H<1>,2|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2{1|N<3>,3|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]O)(NC[6a]H){1|C<3>,3|H<1>}	106.7110	0.000	1	106.7110	0.000	1	107.3045	0.704	2	109.5712	8.278	17	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:3:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]N[5]C)(O)	C[5](C[5]N[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]O)(N[5]C[5]C)(CHN)	C[5](C[5]C[5]HH)(C[5]N[5]C)(O){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>}	C[5](C[5]C[5]O)(N[5]C[5]C)(CHN){4|H<1>}	107.3760	0.000	1	107.3760	0.000	1	107.3760	0.000	1	109.5712	8.278	17	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-3:C[5]-3:C-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[5]H)(H)2	C[5](C[5,5]C[5,5]N[5])(C[5]C[5]H)(CH3)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H){1|C<3>,1|C<4>,1|N<2>}	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[5]H)(H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]N[5])(C[5]C[5]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	113.3660	0.000	1	113.3660	0.000	1	113.3660	0.000	1	109.6152	3.979	65	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]H)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]H)(CH3){3|C<4>,3|H<1>}	113.6350	0.000	1	113.6350	0.000	1	113.6350	0.000	1	109.6152	3.979	65	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]C)(H)	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]H)(H)2	C[5](C[5]C[5,6]O)(C[5]C[5]H)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>}	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]H)(H)2{1|H<1>,2|C<3>,2|C<4>,2|O<1>}	C[5](C[5]C[5,6]O)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>,2|H<1>}	115.0340	0.000	1	115.0340	0.000	1	115.0340	0.000	1	109.6152	3.979	65	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]H)(C[5]C[5]O)(CC[6a]CH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]H)(C[5]C[5]O)(CC[6a]CH){4|H<1>}	113.7900	0.000	1	113.7900	0.000	1	113.9146	0.170	5	109.6152	3.979	65	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]H)(C[5]C[5]O)(CC[6a]HO)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]H)(C[5]C[5]O)(CC[6a]HO){4|H<1>}	113.9458	0.470	4	113.9458	0.221	4	113.9146	0.170	5	109.6152	3.979	65	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:Si-4:	C[5](C[5]C[5]HH)(C[5]C[5]Si)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]H)(C[5]C[5]N)(SiC3)	C[5](C[5]C[5]HH)(C[5]C[5]Si)(H){1|N<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|Si<4>,1|N<2>}	C[5](C[5]C[5]H)(C[5]C[5]N)(SiC3){4|H<1>}	115.1010	0.000	1	115.1010	0.000	1	115.1010	0.000	1	109.6152	3.979	65	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]H)(H)2	C[5](C[5]C[5]H)(N[5]C[5]S)(CHHO)	C[5](C[5]C[5]HH)(C[5]N[5]C)(H){1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]H)(H)2{1|C<4>,1|S<4>,2|C<3>}	C[5](C[5]C[5]H)(N[5]C[5]S)(CHHO){1|C<3>,3|H<1>}	111.4030	0.000	1	111.4030	0.000	1	111.5785	0.062	2	109.6152	3.979	65	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)	C[5](C[5]N[5]CH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]H)(N[5]C[5]S)(CCHS)	C[5](C[5]C[5]HH)(C[5]N[5]C)(H){1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]N[5]CH)(C[5]C[5]H)(H)2{1|C<4>,1|S<4>}	C[5](C[5]C[5]H)(N[5]C[5]S)(CCHS){1|C<4>,3|H<1>}	111.7540	0.000	1	111.7540	0.000	1	111.5785	0.062	2	109.6152	3.979	65	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:C[5]-3:O-1:	C[3,5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[3,5]HH)(C[5]C[5]C)(O)	C[5](C[3,5]C[3]C[5]O[3])(C[5]C[5]O)(H)2	C[5](C[5]C[3,5]C[5])(C[5]C[5]O)(CH3)	C[5](C[5]C[3,5]HH)(C[5]C[5]C)(O){1|O<2>,2|C<4>}	C[5](C[3,5]C[3]C[5]O[3])(C[5]C[5]O)(H)2{4|C<4>}	C[5](C[5]C[3,5]C[5])(C[5]C[5]O)(CH3){2|C<4>,2|O<2>,3|H<1>}	108.6520	0.139	5	108.6520	0.019	5	108.6520	0.019	5	109.6152	3.979	65	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:C[5]-3:O-1:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5]-3:C[5]-3:C-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]C)(O)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(H)2	C[5](C[5,5]C[5,5,6]C[5])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]C)(O){3|C<4>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[5](C[5,5]C[5,5,6]C[5])(C[5]C[5]O)(CH3){3|C<4>,4|H<1>}	108.5710	0.000	1	108.5710	0.000	1	108.5710	0.000	1	109.6152	3.979	65	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:C[5]-3:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-3:C[5]-3:C-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(O)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(H)2	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5]O)(CCHH)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(O){1|H<1>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5]O)(CCHH){3|H<1>,4|C<4>}	109.0050	0.000	1	109.0050	0.000	1	109.8670	1.486	2	109.6152	3.979	65	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:C[5]-3:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-3:C[5]-3:C-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(O)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(H)2	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(O){1|H<1>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]O)(CH3){1|C<4>,1|N<3>,5|H<1>}	110.7290	0.000	1	110.7290	0.000	1	109.8670	1.486	2	109.6152	3.979	65	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:C[5]-3:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]C)(O)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]O)(H)2	C[5](C[5]C[5,5]C)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,5]HH)(C[5]C[5]C)(O){1|N<3>,2|C<4>}	C[5](C[5,5]C[5]2N[5])(C[5]C[5]O)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5](C[5]C[5,5]C)(C[5]C[5]O)(CH3){1|C<4>,1|N<3>,2|H<1>}	107.4040	0.000	1	107.4040	0.000	1	107.4040	0.000	1	109.6152	3.979	65	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:C[5]-3:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(O)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]O)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(O){1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5]O)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CH3){2|C<4>,5|H<1>}	108.4630	0.000	1	108.4105	0.006	2	108.5217	0.062	7	109.6152	3.979	65	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:C[5]-3:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(O)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]O)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(O){1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5]O)(H)2{1|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CH3){2|C<4>,5|H<1>}	108.3580	0.000	1	108.4105	0.006	2	108.5217	0.062	7	109.6152	3.979	65	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:C[5]-3:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(O)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]O)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CCCH)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(O){3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]O)(H)2{5|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CCCH){3|C<4>,4|H<1>}	108.6450	0.000	1	108.6450	0.000	1	108.5217	0.062	7	109.6152	3.979	65	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:C[5]-3:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(O)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CCCH)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(O){1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2{1|C<3>,4|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CCCH){2|C<4>,5|H<1>}	108.4450	0.000	1	108.4450	0.000	1	108.5217	0.062	7	109.6152	3.979	65	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:C[5]-3:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(O){3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2{1|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CH3){3|C<4>,4|H<1>}	108.5700	0.000	1	108.5700	0.000	1	108.5217	0.062	7	109.6152	3.979	65	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:C[5]-3:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	C[5](C[5,6]C[4,6]C[5,6])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(O){1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[4,6]C[5,6])(C[5]C[5]O)(CH3){1|N<3>,2|C<4>,4|H<1>}	108.9810	0.000	1	108.9810	0.000	1	108.5217	0.062	7	109.6152	3.979	65	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:C[5]-3:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(O){1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CH3){2|C<4>,5|H<1>}	108.1900	0.000	1	108.1900	0.000	1	108.5217	0.062	7	109.6152	3.979	65	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:C[5]-3:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[5]-3:Si-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]Si)(O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(SiC3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]Si)(O){1|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2{1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(SiC3){1|C<3>,2|H<1>,3|C<4>}	109.4925	0.551	2	109.4925	0.303	2	109.0735	0.175	6	109.6152	3.979	65	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:C[5]-3:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[5]-3:Si-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]Si)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	C[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]O)(SiC3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]Si)(O){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]O)(SiC3){1|C<4>,2|C<3>,3|H<1>}	108.8640	0.125	4	108.8640	0.016	4	109.0735	0.175	6	109.6152	3.979	65	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:C[5]-3:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]C)(O)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(H)2	C[5](C[5]C[5,6]H)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5]C)(O){1|H<1>,2|C<4>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[5](C[5]C[5,6]H)(C[5]C[5]O)(CH3){2|C<4>,2|H<1>}	107.3940	0.000	1	107.3940	0.000	1	107.3940	0.000	1	109.6152	3.979	65	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]2H)(C[5]C[5]O)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|H<1>,2|C<4>}	C[5](C[5]C[5]2H)(C[5]C[5]O)(H)2{1|O<2>,4|C<4>}	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3){1|C<4>,3|H<1>}	108.5640	0.000	1	108.5640	0.000	1	108.8803	0.620	29	109.6152	3.979	65	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]2)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|H<1>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2{2|C<4>}	C[5](C[5]C[5]2)(C[5]C[5]O)(CH3){1|O<2>,2|C<4>,4|H<1>}	108.3350	0.000	1	108.3350	0.000	1	108.8803	0.620	29	109.6152	3.979	65	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>}	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3){1|C<4>,3|H<1>}	108.2070	0.000	1	108.6707	0.244	3	108.8803	0.620	29	109.6152	3.979	65	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|H<1>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2{2|C<4>}	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3){1|C<4>,3|H<1>}	108.9025	0.408	2	108.6707	0.244	3	108.8803	0.620	29	109.6152	3.979	65	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]CO)(C[5]C[5]O)(H)2	C[5](C[5]C[5]2)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|O<2>,2|C<4>}	C[5](C[5]C[5]CO)(C[5]C[5]O)(H)2{2|C<4>}	C[5](C[5]C[5]2)(C[5]C[5]O)(CH3){2|C<4>,2|O<2>,3|H<1>}	107.8540	0.000	1	107.8540	0.000	1	108.8803	0.620	29	109.6152	3.979	65	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]CO)(C[5]C[5]O)(H)2	C[5](C[5]C[5]H)(C[5]C[5]O)(CCCH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]CO)(C[5]C[5]O)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(C[5]C[5]O)(CCCH){1|C<4>,1|O<2>,2|H<1>}	108.2760	0.000	2	108.2760	0.000	2	108.8803	0.620	29	109.6152	3.979	65	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{2|C<4>}	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HH){4|H<1>}	108.6580	0.000	1	108.6580	0.000	1	108.8803	0.620	29	109.6152	3.979	65	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HO)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{2|C<4>}	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HO){4|H<1>}	108.8800	0.000	1	108.8800	0.000	1	108.8803	0.620	29	109.6152	3.979	65	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]H)(C[5]C[5]O)(CC[6a]CH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(C[5]C[5]O)(CC[6a]CH){4|H<1>}	108.5300	0.000	1	108.5300	0.000	1	108.8803	0.620	29	109.6152	3.979	65	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]H)(C[5]C[5]O)(CC[6a]HO)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(C[5]C[5]O)(CC[6a]HO){4|H<1>}	108.2777	0.551	4	108.2777	0.304	4	108.8803	0.620	29	109.6152	3.979	65	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]N)(C[5]C[5]O)(CCHH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,1|N<3>}	C[5](C[5]C[5]N)(C[5]C[5]O)(CCHH){4|H<1>}	108.9630	0.000	1	108.9630	0.000	1	108.8803	0.620	29	109.6152	3.979	65	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]N)(C[5]C[5]O)(CCHN)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,1|N<3>}	C[5](C[5]C[5]N)(C[5]C[5]O)(CCHN){4|H<1>}	108.9110	0.000	1	108.9110	0.000	1	108.8803	0.620	29	109.6152	3.979	65	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]O)2(CCHH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,1|O<2>}	C[5](C[5]C[5]O)2(CCHH){4|H<1>}	109.2190	0.600	4	109.2190	0.360	4	108.8803	0.620	29	109.6152	3.979	65	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]O)2(CC[6a]HH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,1|O<2>}	C[5](C[5]C[5]O)2(CC[6a]HH){4|H<1>}	110.4945	0.593	2	110.4945	0.352	2	108.8803	0.620	29	109.6152	3.979	65	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]O)2(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,1|O<2>}	C[5](C[5]C[5]O)2(CH3){4|H<1>}	110.2000	0.006	2	110.2000	0.000	2	108.8803	0.620	29	109.6152	3.979	65	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]CH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|H<1>,2|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2{1|C<4>,3|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]CH){1|C<3>,3|H<1>}	107.7970	0.000	1	107.7970	0.000	1	108.8803	0.620	29	109.6152	3.979	65	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|H<1>,2|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2{1|C<4>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CH3){3|C<3>,3|H<1>}	109.1680	0.000	1	109.1680	0.000	1	108.8803	0.620	29	109.6152	3.979	65	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]O)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|O<2>,2|C<3>}	C[5](C[5]C[6a]C[5]O)(C[5]C[5]O)(H)2{1|C<4>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CH3){1|O<2>,2|H<1>,3|C<3>}	108.9650	0.407	2	108.9650	0.166	2	108.8803	0.620	29	109.6152	3.979	65	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:Si-4:	C[5](C[5]C[5]HH)(C[5]C[5]Si)(O)	C[5](C[5]C[5]CO)(C[5]C[5]O)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(SiC3)	C[5](C[5]C[5]HH)(C[5]C[5]Si)(O){1|C<3>,1|C<4>,1|O<2>}	C[5](C[5]C[5]CO)(C[5]C[5]O)(H)2{1|Si<4>,1|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(SiC3){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	108.9170	0.000	1	108.9170	0.000	1	108.5665	0.246	2	109.6152	3.979	65	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:Si-4:	C[5](C[5]C[5]HH)(C[5]C[5]Si)(O)	C[5](C[5]C[5]C[6]O)(C[5]C[5]O)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(SiC3)	C[5](C[5]C[5]HH)(C[5]C[5]Si)(O){1|O<2>,2|C<4>}	C[5](C[5]C[5]C[6]O)(C[5]C[5]O)(H)2{1|Si<4>,1|O<2>,3|C<4>}	C[5](C[5]C[5]C)(C[5]C[5]O)(SiC3){1|C<4>,1|O<2>,2|H<1>}	108.2160	0.000	1	108.2160	0.000	1	108.5665	0.246	2	109.6152	3.979	65	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:4:2:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:Si-4:O[5]-2:	C[5](C[5]C[5]HH)(C[5]O[5]Si)(H)	C[5](C[5]O[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]H)(SiC[5]2C)(O[5]C[5])	C[5](C[5]C[5]HH)(C[5]O[5]Si)(H){2|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]H)(H)2{1|Si<4>}	C[5](C[5]C[5]H)(SiC[5]2C)(O[5]C[5]){4|H<1>}	110.2252	0.269	6	110.2252	0.072	6	110.2252	0.072	6	110.2252	0.072	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	3:4:3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(C[5]C[5]2)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5]C[5]HH)(C[5]C[5]2)(H){1|C<3>,1|N<2>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(C[5]C[5]H){1|C<4>,1|N<3>,1|O<1>,4|H<1>}	112.5060	0.000	1	112.5060	0.000	1	112.5060	0.000	1	112.5060	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[3x5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[3x5]HH)(C[5]C[5,5]H)(H)	C[5](C[3x5]C[3x5]C[5,5]C[5])(C[5]C[5]H)(H)2	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[3x5]HH)(C[5]C[5,5]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5](C[3x5]C[3x5]C[5,5]C[5])(C[5]C[5]H)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]H)(H){1|C<3>,2|C<4>,4|H<1>}	112.5415	1.630	2	112.5415	2.657	2	112.5415	2.657	2	112.2381	2.322	86	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[4,5]-4:C[5]-3:H-1:H-1:	C[4,5]-4:C[5]-3:H-1:	C[5](C[5]C[4,5]HH)(C[5]C[4,5]H)(H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]H)(H)2	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]H)(H)	C[5](C[5]C[4,5]HH)(C[5]C[4,5]H)(H){2|C<4>,2|H<1>}	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]H)(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]H)(H){1|Cl<1>,1|C<4>,4|H<1>}	113.4610	0.000	1	113.4610	0.000	1	113.4610	0.000	1	112.2381	2.322	86	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5,3x6]-4:C[5]-3:H-1:H-1:	C[5,6,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]H)(H)	C[5](C[5,3x6]C[5,6,6]C[4x6]C[6])(C[5]C[5]H)(H)2	C[5](C[5,6,6]C[5,3x6]C[3x6]C)(C[5]C[5]H)(H)	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]H)(H){4|C<4>}	C[5](C[5,3x6]C[5,6,6]C[4x6]C[6])(C[5]C[5]H)(H)2{1|C<3>,3|H<1>,5|C<4>}	C[5](C[5,6,6]C[5,3x6]C[3x6]C)(C[5]C[5]H)(H){1|C<3>,3|C<4>,3|H<1>}	113.0710	0.000	1	113.0710	0.000	1	113.0710	0.000	1	112.2381	2.322	86	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]H)(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(H)2	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]H)(H){2|C<4>,2|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(H){1|C<3>,2|C<4>,4|H<1>}	114.7230	0.000	1	113.9205	1.288	2	113.2520	1.985	3	112.2381	2.322	86	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]H)(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(H)2	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]H)(H){2|C<4>,2|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(H)2{3|C<4>,3|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(H){3|C<4>,4|H<1>}	113.1180	0.000	1	113.9205	1.288	2	113.2520	1.985	3	112.2381	2.322	86	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]H)(H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]H)(H)2	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]H)(H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]H)(H){1|C<3>,3|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]H)(H)2{1|O<1>,3|H<1>,4|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]H)(H){1|C<3>,3|C<4>,6|H<1>}	111.9150	0.000	1	111.9150	0.000	1	113.2520	1.985	3	112.2381	2.322	86	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]H)(H)2	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H){1|C<3>,1|N<3>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]H)(H)2{1|N<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	112.6330	0.000	1	112.6330	0.000	1	112.8166	0.399	18	112.2381	2.322	86	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5]H)(H)2	C[5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5]H)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H){1|Fe<10>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5]H)(H)2{2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5]H)(H){2|C<4>,3|H<1>}	113.2180	0.000	1	113.2180	0.000	1	112.8166	0.399	18	112.2381	2.322	86	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H){1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]H)(H){1|C<3>,3|C<4>,3|H<1>}	111.8600	0.000	1	111.8600	0.000	1	112.8166	0.399	18	112.2381	2.322	86	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)2	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)2{1|C<3>,1|N<3>,1|O<2>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(H){1|C<4>,1|N<3>,3|H<1>}	113.2490	0.141	2	113.2403	0.010	3	112.8166	0.399	18	112.2381	2.322	86	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)2	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)2{1|C<3>,2|O<2>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(H){1|C<3>,1|C<4>,3|H<1>}	113.2230	0.000	1	113.2403	0.010	3	112.8166	0.399	18	112.2381	2.322	86	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[5,5]C[5]N)(C[5]C[5]H)(H)2	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]H)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H){1|C<4>,1|N<3>,2|O<2>}	C[5](C[5,5]C[5,5]C[5]N)(C[5]C[5]H)(H)2{2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]H)(H){1|N<3>,2|C<4>,2|H<1>}	114.1940	0.000	1	114.1940	0.000	1	112.8166	0.399	18	112.2381	2.322	86	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]H)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]H)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H){2|C<4>,2|H<1>,2|O<1>}	113.1330	0.000	1	113.1330	0.000	1	112.8166	0.399	18	112.2381	2.322	86	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]H)(H)2	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H){1|C<4>,1|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]H)(H)2{1|C<4>,2|O<2>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(H){1|O<2>,2|C<4>,2|H<1>}	112.5620	0.000	1	112.5620	0.000	1	112.8166	0.399	18	112.2381	2.322	86	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]H)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H){1|C<3>,1|N<3>,2|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	112.8400	0.000	1	112.4810	0.258	2	112.8166	0.399	18	112.2381	2.322	86	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]H)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H){1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]H)(H)2{1|S<4>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H){1|N<3>,2|C<4>,4|H<1>}	112.1220	0.000	1	112.4810	0.258	2	112.8166	0.399	18	112.2381	2.322	86	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]H)(H)2	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H){1|N<3>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]H)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(H){1|C<3>,1|N<3>,3|H<1>}	112.2005	0.807	2	112.2005	0.651	2	112.8166	0.399	18	112.2381	2.322	86	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(H)2{2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H){1|O<2>,2|C<3>,3|H<1>}	112.6227	0.528	3	112.6227	0.279	3	112.8166	0.399	18	112.2381	2.322	86	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[5,5]P[5]H)(C[5]C[5]H)(H)2	C[5](C[5,5]C[5,5]S[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H){1|P<4>,1|S<2>,2|H<1>}	C[5](C[5,5]C[5,5]P[5]H)(C[5]C[5]H)(H)2{1|C<3>,1|P<3>,1|S<1>,1|S<2>,2|H<1>}	C[5](C[5,5]C[5,5]S[5]H)(C[5]C[5]H)(H){1|P<3>,1|P<4>,3|H<1>}	113.4930	0.000	1	113.4930	0.000	1	112.8166	0.399	18	112.2381	2.322	86	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(H)2	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(H){2|C<3>,3|H<1>}	112.6530	0.000	1	112.6530	0.000	1	112.8166	0.399	18	112.2381	2.322	86	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]HH)(C[5]C[5]H)(H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]H)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5]H)(H){1|C<3>,1|N<3>,2|H<1>}	C[5](C[5,5]C[5]2N[5])(C[5]C[5]H)(H)2{1|C<3>,1|N<3>,1|O<1>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]H)(H){1|C<3>,1|N<3>,2|H<1>}	112.2860	0.346	2	112.2860	0.120	2	110.1180	14.325	4	112.2381	2.322	86	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]HH)(C[5]C[5]H)(H)	C[5](C[5,5]C[5]3)(C[5]C[5]H)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5]H)(H){2|C<3>,2|H<1>}	C[5](C[5,5]C[5]3)(C[5]C[5]H)(H)2{1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]H)(H){2|C<3>,2|H<1>}	107.9500	4.904	2	107.9500	24.054	2	110.1180	14.325	4	112.2381	2.322	86	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5]-3:Cl-1:H-1:	C[5,6,6]-4:C[5]-3:H-1:	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)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]H)(H)	C[5](C[5]C[5,6,6]ClH)(C[5]C[5,6,6]H)(H){2|C<4>,2|H<1>}	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>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]H)(H){1|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	112.0580	0.129	2	112.0580	0.017	2	112.0580	0.017	2	112.2381	2.322	86	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6,6]H)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]C)(C[5]C[5]H)(H)2	C[5](C[5,6,6]C[5,6,6]C[3x6]C)(C[5]C[5]H)(H)	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6,6]H)(H){4|C<4>}	C[5](C[5,6,6]C[5,6,6]C[3x6]C)(C[5]C[5]H)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5](C[5,6,6]C[5,6,6]C[3x6]C)(C[5]C[5]H)(H){1|C<3>,3|C<4>,3|H<1>}	113.0990	0.000	1	113.0990	0.000	1	113.4226	0.229	5	112.2381	2.322	86	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6,6]HH)(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)(H)2	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]H)(H)	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6,6]H)(H){2|C<4>,2|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]H)(H)2{1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]H)(H){1|C<3>,2|C<4>,4|H<1>}	113.9115	0.302	2	113.5035	0.262	4	113.4226	0.229	5	112.2381	2.322	86	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6,6]HH)(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)(H)2	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]H)(H)	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6,6]H)(H){2|C<4>,2|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]H)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]H)(H){1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	112.9730	0.000	1	113.5035	0.262	4	113.4226	0.229	5	112.2381	2.322	86	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6,6]HH)(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)(H)2	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]H)(H)	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6,6]H)(H){2|C<4>,2|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]H)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]H)(H){1|C<3>,2|C<4>,4|H<1>}	113.2180	0.000	1	113.5035	0.262	4	113.4226	0.229	5	112.2381	2.322	86	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5,6,6]HH)(C[5]C[5]H)(H)	C[5](C[5,6,6]C[6,6]2C[5])(C[5]C[5]H)(H)2	C[5](C[5]C[5,6,6]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5,6,6]HH)(C[5]C[5]H)(H){2|C<4>,2|H<1>}	C[5](C[5,6,6]C[6,6]2C[5])(C[5]C[5]H)(H)2{2|O<2>,3|H<1>,4|C<4>}	C[5](C[5]C[5,6,6]HH)(C[5]C[5]H)(H){2|C<4>,2|H<1>}	112.8560	0.301	2	112.8560	0.091	2	112.8560	0.091	2	112.2381	2.322	86	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:Br-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]Br)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]H)(Br)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]Br)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2{1|Br<1>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]H)(Br){3|H<1>,4|C<4>}	110.2940	0.035	2	110.2940	0.001	2	110.2940	0.001	2	112.2381	2.322	86	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]C[6]Fe)(C[5]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]Fe)(C[5]C[5]H)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H){1|Fe<11>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]Fe)(C[5]C[5]H)(H)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]Fe)(C[5]C[5]H)(H){2|C<4>,3|H<1>}	112.1660	0.000	1	112.1660	0.000	1	112.6159	0.223	11	112.2381	2.322	86	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]H)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2{2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]H)(H){1|O<2>,2|C<4>,4|H<1>}	111.9020	0.000	1	111.9020	0.000	1	112.6159	0.223	11	112.2381	2.322	86	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]H)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H){1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2{2|N<3>,4|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]H)(H){1|C<3>,2|C<4>,3|H<1>}	113.1820	0.000	1	113.0835	0.019	2	112.6159	0.223	11	112.2381	2.322	86	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]H)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H){1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2{2|N<3>,4|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]H)(H){1|C<4>,2|C<3>,3|H<1>}	112.9850	0.000	1	113.0835	0.019	2	112.6159	0.223	11	112.2381	2.322	86	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]H)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]H)(H){1|C<4>,2|C<3>,3|H<1>}	112.6486	0.419	7	112.6486	0.175	7	112.6159	0.223	11	112.2381	2.322	86	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:I-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]I)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(I)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]I)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2{1|H<1>,1|I<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(I){2|C<4>,5|H<1>}	106.9425	0.668	2	106.9425	0.447	2	106.9425	0.447	2	112.2381	2.322	86	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]HH)(C[5]C[5]H)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(H)2	C[5](C[5]C[5,6]HN)(C[5]C[5]H)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[5](C[5]C[5,6]HN)(C[5]C[5]H)(H){1|C<3>,1|C<4>,2|H<1>}	112.0820	0.000	2	112.0820	0.000	2	110.9850	1.640	4	112.2381	2.322	86	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]HH)(C[5]C[5]H)(H)	C[5](C[5,6]C[5]O[6]2)(C[5]C[5]H)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5]H)(H){2|H<1>,2|O<2>}	C[5](C[5,6]C[5]O[6]2)(C[5]C[5]H)(H)2{2|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]H)(H){2|H<1>,2|O<2>}	109.8880	0.324	2	109.8880	0.105	2	110.9850	1.640	4	112.2381	2.322	86	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:F-1:F-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]FF)(C[5]C[5]H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(F)2	C[5](C[5]N[6a]C[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[5]FF)(C[5]C[5]H)(H){1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(F)2{1|N<3>,2|H<1>}	C[5](C[5]N[6a]C[5]H)(C[5]C[5]H)(H){1|C<4>,1|H<1>,2|C<3>,2|F<1>}	110.7190	0.000	1	110.7190	0.000	1	110.7190	0.000	1	112.2381	2.322	86	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5]AuH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]AuH)(C[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H){1|Au<3>,2|H<1>}	C[5](C[5]C[5]AuH)(C[5]C[5]H)(H)2{2|H<1>}	C[5](C[5]C[5]AuH)(C[5]C[5]H)(H){3|H<1>}	110.5440	0.000	1	110.5440	0.000	1	112.2700	0.687	25	112.2381	2.322	86	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]H)(H)2{3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H){2|C<3>,2|H<1>}	113.3865	0.488	4	113.3865	0.239	4	112.2700	0.687	25	112.2381	2.322	86	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2{1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(H){1|C<3>,3|H<1>}	112.2600	0.000	1	112.2600	0.000	1	112.2700	0.687	25	112.2381	2.322	86	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2{3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H){1|C<4>,3|H<1>}	111.4385	0.149	2	111.4385	0.022	2	112.2700	0.687	25	112.2381	2.322	86	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]HO)(C[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2{1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]C[5]H)(H){1|C<4>,3|H<1>}	111.9940	0.000	1	111.9940	0.000	1	112.2700	0.687	25	112.2381	2.322	86	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|H<1>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]H)(H){4|H<1>}	111.8977	0.562	3	111.8977	0.316	3	112.2700	0.687	25	112.2381	2.322	86	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(H){4|H<1>}	112.0285	0.360	2	112.0285	0.130	2	112.2700	0.687	25	112.2381	2.322	86	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]CO)(C[5]C[5]H)(H){4|H<1>}	112.6660	0.065	2	112.6660	0.004	2	112.2700	0.687	25	112.2381	2.322	86	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]HN)(C[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H){1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|N<3>,2|H<1>}	C[5](C[5]C[5]HN)(C[5]C[5]H)(H){4|H<1>}	113.7610	0.000	1	113.7610	0.000	1	112.2700	0.687	25	112.2381	2.322	86	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5]HN)(C[5]C[5]H)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H){1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]C[5]HN)(C[5]C[5]H)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(H){1|N<3>,3|H<1>}	112.9000	0.000	1	112.9000	0.000	1	112.2700	0.687	25	112.2381	2.322	86	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5]HN)(C[5]C[5]H)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H){1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]C[5]HN)(C[5]C[5]H)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(H){1|N<3>,2|C<3>,3|H<1>}	112.1755	0.596	4	112.1755	0.355	4	112.2700	0.687	25	112.2381	2.322	86	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5]HO)(C[5]C[5]H)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(C[5]C[5]H)(H)2{3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H){1|O<2>,3|H<1>}	111.6665	0.066	2	111.6665	0.004	2	112.2700	0.687	25	112.2381	2.322	86	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(H)2	C[5](C[5]C[5]SiO)(C[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H){1|Si<4>,1|C<3>,1|H<1>,1|O<2>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(H)2{1|Si<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5]SiO)(C[5]C[5]H)(H){1|C<3>,3|H<1>}	111.7520	0.000	1	111.7520	0.000	1	112.2700	0.687	25	112.2381	2.322	86	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	N[5,6]-4:C[5]-3:H-1:H-1:	B[5,6]-4:C[5]-3:H-1:	C[5](C[5]N[5,6]HH)(C[5]B[5,6]H)(H)	C[5](N[5,6]B[5,6]C[6]Cr)(C[5]C[5]H)(H)2	C[5](B[5,6]N[5,6]C[6]Cr)(C[5]C[5]H)(H)	C[5](C[5]N[5,6]HH)(C[5]B[5,6]H)(H){1|Cr<9>,2|C<4>}	C[5](N[5,6]B[5,6]C[6]Cr)(C[5]C[5]H)(H)2{2|C<4>,2|H<1>}	C[5](B[5,6]N[5,6]C[6]Cr)(C[5]C[5]H)(H){2|C<4>,3|H<1>}	113.9820	0.000	1	113.9820	0.000	1	113.9820	0.000	1	112.2381	2.322	86	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	N[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]N[5]HH)(C[5]C[5]H)(H)	C[5](N[5]C[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]H)(H)	C[5](C[5]N[5]HH)(C[5]C[5]H)(H){4|H<1>}	C[5](N[5]C[5]HH)(C[5]C[5]H)(H)2{3|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]H)(H){4|H<1>}	112.1785	1.310	2	112.1785	1.717	2	112.1785	1.717	2	112.2381	2.322	86	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:2:	C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-2:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(H)2	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]H)(CC)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H){1|C<4>,1|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(H)2{1|C<2>,1|O<2>,2|C<4>}	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]H)(CC){1|C<4>,1|O<2>,3|H<1>}	112.2510	0.000	1	112.2510	0.000	1	112.2510	0.000	1	109.1942	3.541	18	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:2:	C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:O-2:	C[5](C[5]C[5,5]HH)(C[5]C[5]O)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]H)(H)2	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(OC)	C[5](C[5]C[5,5]HH)(C[5]C[5]O)(H){1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]H)(H)2{1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(OC){1|N<3>,2|H<1>,3|C<3>}	111.6000	0.000	1	111.6000	0.000	1	110.7050	0.667	3	109.1942	3.541	18	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:2:	C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:O-2:	C[5](C[5]C[5,5]HH)(C[5]C[5]O)(H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]H)(H)2	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(OC)	C[5](C[5]C[5,5]HH)(C[5]C[5]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5,5]C[5]2N[5])(C[5]C[5]H)(H)2{1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(OC){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	110.5150	0.000	1	110.2575	0.133	2	110.7050	0.667	3	109.1942	3.541	18	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:2:	C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:O-2:	C[5](C[5]C[5,5]HH)(C[5]C[5]O)(H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]H)(H)2	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(OC)	C[5](C[5]C[5,5]HH)(C[5]C[5]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5,5]C[5]2N[5])(C[5]C[5]H)(H)2{1|H<1>,2|C<4>,2|O<2>,3|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(OC){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	110.0000	0.000	1	110.2575	0.133	2	110.7050	0.667	3	109.1942	3.541	18	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:2:	C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:O-2:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(OS)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2{1|H<1>,1|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(OS){2|C<4>,5|H<1>}	109.3660	0.000	1	109.3660	0.000	1	109.3660	0.000	1	109.1942	3.541	18	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:2:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C-4:C[5]-3:O[5]-2:	C[5](C[5]C[5]HH)(C[5]O[5]C)(H)	C[5](C[5]O[5]HH)(C[5]C[5]H)(H)2	C[5](CC[6a]2C[5])(C[5]C[5]H)(O[5]C[5])	C[5](C[5]C[5]HH)(C[5]O[5]C)(H){2|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]H)(H)2{1|C<4>}	C[5](CC[6a]2C[5])(C[5]C[5]H)(O[5]C[5]){4|H<1>}	109.2980	0.000	1	109.2980	0.000	1	109.2980	0.000	1	109.1942	3.541	18	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:2:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	Si-4:C[5]-3:O[5]-2:	C[5](C[5]C[5]HH)(C[5]O[5]Si)(H)	C[5](C[5]O[5]HH)(C[5]C[5]H)(H)2	C[5](SiC[6a]C[5]2)(C[5]C[5]H)(O[5]C[5])	C[5](C[5]C[5]HH)(C[5]O[5]Si)(H){2|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]H)(H)2{1|Si<4>}	C[5](SiC[6a]C[5]2)(C[5]C[5]H)(O[5]C[5]){4|H<1>}	110.2132	0.217	6	110.2132	0.047	6	110.2132	0.047	6	109.1942	3.541	18	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:2:	C[5]-4:C[5]-3:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:N-2:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]N)(O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O)(NN)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]N)(O){1|C<3>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2{1|N<2>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O)(NN){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	105.5600	0.000	1	105.7965	0.112	2	105.7965	0.112	2	109.1942	3.541	18	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:2:	C[5]-4:C[5]-3:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:N-2:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]N)(O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O)(NN)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]N)(O){1|C<3>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2{1|N<2>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O)(NN){1|C<3>,3|C<4>,3|H<1>}	106.0330	0.000	1	105.7965	0.112	2	105.7965	0.112	2	109.1942	3.541	18	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:2:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:N-2:	C[5](C[5]C[5]HH)(C[5]C[5]N)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(NO)	C[5](C[5]C[5]HH)(C[5]C[5]N)(O){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|N<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(NO){4|H<1>}	107.3985	0.141	4	107.3985	0.020	4	107.3985	0.020	4	109.1942	3.541	18	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:Cl-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(Cl)	C[5](C[5]C[5]HH)(C[5]C[5]Cl)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]Cl)(CCH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(Cl){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]Cl)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]Cl)(CCH){4|H<1>}	115.1280	0.000	1	115.1280	0.000	1	115.1280	0.000	1	111.2795	3.889	99	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[3,5]-4:C[5]-3:H-1:H-1:	C[3,5]-4:C[5]-3:C-3:	C[5](C[5]C[3,5]HH)(C[5]C[3,5]C)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]H)(H)2	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]H)(COO)	C[5](C[5]C[3,5]HH)(C[5]C[3,5]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]H)(COO){1|C<4>,4|H<1>}	112.4430	0.000	1	112.4430	0.000	1	112.4430	0.000	1	111.2795	3.889	99	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[4,5]-4:C[5]-3:H-1:H-1:	C[4,5]-4:C[5]-3:C-3:	C[5](C[5]C[4,5]HH)(C[5]C[4,5]C)(H)	C[5](C[4,5]C[4,5]C[4]C)(C[5]C[5]H)(H)2	C[5](C[4,5]C[4,5]C[4]O)(C[5]C[5]H)(CC[6a]O)	C[5](C[5]C[4,5]HH)(C[5]C[4,5]C)(H){1|O<2>,3|C<4>}	C[5](C[4,5]C[4,5]C[4]C)(C[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](C[4,5]C[4,5]C[4]O)(C[5]C[5]H)(CC[6a]O){2|C<4>,4|H<1>}	113.0280	0.000	1	113.0280	0.000	1	113.0280	0.000	1	111.2795	3.889	99	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-3:C-3:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]C)(H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]H)(H)2	C[5](C[5,5,6]C[5,5,6]C[5,6]O)(C[5]C[5]H)(CCO)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]C)(H){1|C<3>,1|O<2>,2|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]H)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5,6]O)(C[5]C[5]H)(CCO){1|C<3>,3|C<4>,3|H<1>}	112.5160	0.000	1	112.5160	0.000	1	112.5160	0.000	1	111.2795	3.889	99	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]C)(H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]H)(H)2	C[5](C[5,5]C[5,5,6]C[5]O)(C[5]C[5]H)(CCO)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]C)(H){1|C<3>,1|O<2>,2|C<4>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]H)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5,6]C[5]O)(C[5]C[5]H)(CCO){1|C<3>,2|C<4>,4|H<1>}	112.8105	0.224	2	112.8105	0.050	2	112.8105	0.050	2	111.2795	3.889	99	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]H)(CSiO)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)2{1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]H)(CSiO){1|O<1>,2|C<4>,3|H<1>}	113.8560	0.000	1	113.8560	0.000	1	113.3233	0.258	4	111.2795	3.889	99	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(COO)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H){2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(COO){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	113.1920	0.000	1	113.1920	0.000	1	113.3233	0.258	4	111.2795	3.889	99	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)	C[5](C[5,5]C[5,5]C[5]S)(C[5]C[5]H)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(COO)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H){1|C<3>,1|C<4>,1|H<1>,1|S<3>}	C[5](C[5,5]C[5,5]C[5]S)(C[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(COO){1|C<3>,1|S<3>,2|O<2>,3|H<1>}	112.6800	0.000	1	112.6800	0.000	1	113.3233	0.258	4	111.2795	3.889	99	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]C[5]H)(H)2	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]H)(COO)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H){1|C<3>,1|H<1>,2|N<3>}	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]C[5]H)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]H)(COO){1|N<3>,2|H<1>,3|C<3>}	113.5650	0.000	1	113.5650	0.000	1	113.3233	0.258	4	111.2795	3.889	99	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:N-3:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]N)(H)	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]C[5]H)(H)2	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]C[5]H)(NCC)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]N)(H){1|Zr<12>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]C[5]H)(H)2{1|H<1>,1|N<3>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]C[5]H)(NCC){2|C<4>,3|H<1>}	111.5070	0.000	1	111.5070	0.000	1	111.5070	0.000	1	111.2795	3.889	99	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5,5]HH)(C[5]C[5]C)(H)	C[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]H)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]H)(COO)	C[5](C[5]C[5,5]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]H)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]H)(COO){1|C<3>,1|C<4>,2|H<1>}	112.3940	0.000	1	112.3940	0.000	1	112.0930	0.128	4	111.2795	3.889	99	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5,5]HH)(C[5]C[5]C)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(H)2	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(COO)	C[5](C[5]C[5,5]HH)(C[5]C[5]C)(H){1|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(COO){2|H<1>,4|C<3>}	112.1000	0.000	1	112.1000	0.000	1	112.0930	0.128	4	111.2795	3.889	99	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5,5]HH)(C[5]C[5]C)(H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(H)2	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(COO)	C[5](C[5]C[5,5]HH)(C[5]C[5]C)(H){1|H<1>,1|O<2>,2|C<3>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(H)2{1|H<1>,1|O<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(COO){1|O<2>,2|H<1>,3|C<3>}	111.9390	0.496	2	111.9390	0.246	2	112.0930	0.128	4	111.2795	3.889	99	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CIS)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5]H)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CIS){1|O<1>,2|C<4>,3|H<1>}	109.5670	0.000	1	109.5670	0.000	1	112.2031	0.654	23	111.2795	3.889	99	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCO)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H){4|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]H)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCO){1|C<3>,2|C<4>,4|H<1>}	111.6305	0.305	4	111.6305	0.093	4	112.2031	0.654	23	111.2795	3.889	99	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCN)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCN){1|C<3>,1|C<4>,5|H<1>}	113.1340	0.000	1	113.1340	0.000	1	112.2031	0.654	23	111.2795	3.889	99	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCO)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCO){2|C<4>,5|H<1>}	112.3436	0.363	5	112.4433	0.119	7	112.2031	0.654	23	111.2795	3.889	99	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCO)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCO){1|C<3>,1|C<4>,5|H<1>}	112.7690	0.000	1	112.4433	0.119	7	112.2031	0.654	23	111.2795	3.889	99	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCO)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCO){1|O<2>,2|C<4>,4|H<1>}	112.6160	0.000	1	112.4433	0.119	7	112.2031	0.654	23	111.2795	3.889	99	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CC[5]Cl)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CC[5]Cl){2|C<4>,5|H<1>}	112.0735	0.192	2	112.0735	0.037	2	112.2031	0.654	23	111.2795	3.889	99	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CNO)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CNO){2|C<4>,5|H<1>}	111.7720	0.000	1	111.7720	0.000	1	112.2031	0.654	23	111.2795	3.889	99	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(COO)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H){1|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(COO){3|C<3>,3|H<1>}	112.5320	0.136	2	112.5320	0.018	2	112.2031	0.654	23	111.2795	3.889	99	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]H)(CCO)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H){1|C<3>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]H)(CCO){1|C<3>,2|C<4>,4|H<1>}	113.4070	0.000	1	113.4070	0.000	1	112.2031	0.654	23	111.2795	3.889	99	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CSiO)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2{1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CSiO){1|O<1>,2|C<4>,3|H<1>}	112.9930	0.682	2	112.9930	0.465	2	112.2031	0.654	23	111.2795	3.889	99	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(COO)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(COO){1|C<3>,2|O<2>,4|H<1>}	112.2250	0.000	1	112.2250	0.000	1	112.2031	0.654	23	111.2795	3.889	99	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CCO)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]H)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CCO){1|O<2>,2|C<3>,4|H<1>}	111.7450	0.000	1	111.7450	0.000	1	112.2031	0.654	23	111.2795	3.889	99	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5,6]HH)(C[5]C[5]C)(H)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]H)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5]H)(COO)	C[5](C[5]C[5,6]HH)(C[5]C[5]C)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]H)(H)2{1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5]H)(COO){1|C<3>,1|C<4>,2|H<1>}	111.8040	0.000	1	111.8040	0.000	1	112.2830	0.178	3	111.2795	3.889	99	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5,6]HH)(C[5]C[5]C)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(H)2	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5]H)(CC[6a]O)	C[5](C[5]C[5,6]HH)(C[5]C[5]C)(H){1|H<1>,3|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(H)2{1|H<1>,2|C<3>,2|N<3>,2|O<1>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5]H)(CC[6a]O){2|H<1>,4|C<3>}	112.6010	0.000	1	112.6010	0.000	1	112.2830	0.178	3	111.2795	3.889	99	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5,6]HH)(C[5]C[5]C)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]H)(COO)	C[5](C[5]C[5,6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(H)2{1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]H)(COO){1|C<3>,1|C<4>,2|H<1>}	112.4440	0.000	1	112.4440	0.000	1	112.2830	0.178	3	111.2795	3.889	99	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C[6]-3:	C[5](C[5]C[5,6]HH)(C[5]C[5]C[6])(H)	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]H)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]H)(C[6]C[6]2)	C[5](C[5]C[5,6]HH)(C[5]C[5]C[6])(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]H)(H)2{1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]H)(C[6]C[6]2){1|C<3>,1|N<2>,2|C<4>,5|H<1>}	113.6365	0.101	2	113.6365	0.010	2	113.6365	0.010	2	111.2795	3.889	99	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]H)(CCN)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){1|C<3>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|O<2>}	C[5](C[5]C[5]CO)(C[5]C[5]H)(CCN){1|C<3>,1|C<4>,2|H<1>}	113.6870	0.000	1	113.6870	0.000	1	112.4147	0.539	23	111.2795	3.889	99	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCO)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]H)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCO){2|C<3>,2|H<1>}	112.2190	0.000	1	112.2190	0.000	1	112.4147	0.539	23	111.2795	3.889	99	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(COO)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){1|C<2>,1|H<1>,2|C<3>}	C[5](C[5]C[5]CC)(C[5]C[5]H)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(COO){1|C<2>,2|H<1>,3|C<3>}	112.1960	0.000	1	112.1960	0.000	1	112.4147	0.539	23	111.2795	3.889	99	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]H)(COO)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(COO){1|C<4>,3|H<1>}	113.1830	0.000	1	113.1830	0.000	1	112.4147	0.539	23	111.2795	3.889	99	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(COO)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(COO){1|C<4>,2|C<3>,3|H<1>}	111.8250	0.000	1	111.8250	0.000	1	112.4147	0.539	23	111.2795	3.889	99	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]CO)(C[5]C[5]H)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]H)(CCC)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CO)(C[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]H)(CCC){2|C<4>,2|O<2>,3|H<1>}	113.0310	0.000	1	113.0310	0.000	1	112.4147	0.539	23	111.2795	3.889	99	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]H)(CC[5,6]O)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|C<3>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]H)(CC[5,6]O){4|H<1>}	112.8850	0.000	1	112.8850	0.000	1	112.4147	0.539	23	111.2795	3.889	99	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]H)(CC[6a]O)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){1|C<2>,1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|C<2>,2|C<3>}	C[5](C[5]C[5]CC)(C[5]C[5]H)(CC[6a]O){4|H<1>}	112.6030	0.000	1	112.6030	0.000	1	112.4147	0.539	23	111.2795	3.889	99	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]H)(CC[6a]O)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(CC[6a]O){4|H<1>}	111.9010	0.000	1	111.9010	0.000	1	112.4147	0.539	23	111.2795	3.889	99	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]H)(CCO)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|O<2>}	C[5](C[5]C[5]CO)(C[5]C[5]H)(CCO){4|H<1>}	112.8050	0.000	1	112.8050	0.000	1	112.4147	0.539	23	111.2795	3.889	99	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[5]H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[5]H){4|H<1>}	113.1600	0.000	1	113.1600	0.000	1	112.4147	0.539	23	111.2795	3.889	99	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[5]O)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[5]O){4|H<1>}	111.7790	0.000	1	111.7790	0.000	1	112.4147	0.539	23	111.2795	3.889	99	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(CRuC)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(CRuC){4|H<1>}	110.1170	0.000	1	110.1170	0.000	1	112.4147	0.539	23	111.2795	3.889	99	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[5a]C[5]H)(C[5]C[5]H)(COO)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5a]C[5]H)(C[5]C[5]H)(COO){1|C<3>,1|S<2>,4|H<1>}	111.4310	0.000	1	111.4310	0.000	1	112.4147	0.539	23	111.2795	3.889	99	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[6a]2C[5])(C[5]C[5]H)(H)2	C[5](C[5]C[5]HO)(C[5]C[5]H)(CRuO)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[6a]2C[5])(C[5]C[5]H)(H)2{1|H<1>,1|O<2>,5|C<3>}	C[5](C[5]C[5]HO)(C[5]C[5]H)(CRuO){2|C<3>,2|H<1>}	112.4610	0.000	1	112.4610	0.000	1	112.4147	0.539	23	111.2795	3.889	99	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]H)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(COO)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]C)(C[5]C[5]H)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(COO){2|C<3>,2|H<1>}	112.1360	0.000	1	112.1360	0.000	1	112.4147	0.539	23	111.2795	3.889	99	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]H)(CC[6a]O)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(H)2{1|H<1>,4|C<3>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(CC[6a]O){1|C<3>,3|H<1>}	112.7935	0.094	4	112.7935	0.009	4	112.4147	0.539	23	111.2795	3.889	99	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]H)(COO)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(H)2{1|H<1>,4|C<3>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(COO){1|C<3>,3|H<1>}	112.3180	0.501	2	112.3180	0.251	2	112.4147	0.539	23	111.2795	3.889	99	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(COO)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(H)2{1|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(COO){3|C<3>,3|H<1>}	112.3080	0.000	1	112.3080	0.000	1	112.4147	0.539	23	111.2795	3.889	99	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:N-3:	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[6a]C[5]O)(C[5]C[5]H)(NCS)	C[5](C[5]C[5]HH)(C[5]C[5]N)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|C<3>,1|N<3>,1|O<2>}	C[5](C[5]C[6a]C[5]O)(C[5]C[5]H)(NCS){2|C<3>,4|H<1>}	112.0940	0.301	2	112.0940	0.091	2	112.0940	0.091	2	111.2795	3.889	99	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:O-1:	C[3,5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[3,5]HH)(C[5]C[5]C)(O)	C[5](C[3,5]C[3]2C[5])(C[5]C[5]O)(H)2	C[5](C[5]C[3,5]CH)(C[5]C[5]O)(CCN)	C[5](C[5]C[3,5]HH)(C[5]C[5]C)(O){1|H<1>,3|C<4>}	C[5](C[3,5]C[3]2C[5])(C[5]C[5]O)(H)2{2|Cl<1>,1|C<3>,1|H<1>,3|C<4>}	C[5](C[5]C[3,5]CH)(C[5]C[5]O)(CCN){2|C<4>,2|H<1>}	109.7660	0.000	1	109.7660	0.000	1	109.7660	0.000	1	111.2795	3.889	99	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(O)	C[5](C[5,6]C[3,6]C[5,6]C)(C[5]C[5]O)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(CCC)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(O){1|H<1>,3|C<4>}	C[5](C[5,6]C[3,6]C[5,6]C)(C[5]C[5]O)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(CCC){2|H<1>,5|C<4>}	108.0490	0.000	1	108.0490	0.000	1	108.5897	0.269	4	111.2795	3.889	99	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(O)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCH)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(O){4|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]O)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCH){3|C<4>,4|H<1>}	108.2670	0.000	1	108.2670	0.000	1	108.5897	0.269	4	111.2795	3.889	99	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(O)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCH)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(O){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCH){2|C<4>,5|H<1>}	109.0215	0.196	2	109.0215	0.038	2	108.5897	0.269	4	111.2795	3.889	99	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C-4:C[5]-3:C[5]-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](CC[6a]C[5]H)(C[5]C[5]O)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,1|O<2>}	C[5](CC[6a]C[5]H)(C[5]C[5]O)2{4|H<1>}	109.8430	0.564	4	109.8430	0.318	4	109.8430	0.318	4	111.2795	3.889	99	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]2H)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|C<4>,3|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]O)(H)2{1|Fe<10>,1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCH){1|C<4>,3|H<1>}	107.0085	0.127	2	107.0085	0.016	2	108.2962	1.906	15	111.2795	3.889	99	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]CC)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCC)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|H<1>,3|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCC){2|C<4>,2|H<1>}	106.4645	0.317	2	106.4645	0.101	2	108.2962	1.906	15	111.2795	3.889	99	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]O)(CCH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|H<1>,3|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2{1|C<3>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]O)(CCH){1|C<4>,3|H<1>}	108.3340	0.000	1	108.3340	0.000	1	108.2962	1.906	15	111.2795	3.889	99	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]O)(CCO)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|H<1>,3|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2{1|C<3>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]O)(CCO){1|C<4>,3|H<1>}	109.6300	0.000	1	109.6300	0.000	1	108.2962	1.906	15	111.2795	3.889	99	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]O)(CC[6a]H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]O)(CC[6a]H){1|C<4>,2|C<3>,4|H<1>}	109.6480	0.000	1	109.6480	0.000	1	108.2962	1.906	15	111.2795	3.889	99	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]O)(CCH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]O)(CCH){4|H<1>}	108.5290	0.000	1	108.5290	0.000	1	108.2962	1.906	15	111.2795	3.889	99	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6]O)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6]O){4|H<1>}	107.4170	0.000	1	107.4170	0.000	1	108.2962	1.906	15	111.2795	3.889	99	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]F)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]F){4|H<1>}	107.0570	0.000	1	107.0570	0.000	1	108.2962	1.906	15	111.2795	3.889	99	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CHN)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CHN){4|H<1>}	108.8630	0.000	1	108.8630	0.000	1	108.2962	1.906	15	111.2795	3.889	99	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]H){2|C<3>,4|H<1>}	108.5300	0.000	1	108.5300	0.000	1	108.2962	1.906	15	111.2795	3.889	99	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]N[5a]C[5]H)(C[5]C[5]O)(CCH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,1|H<1>,1|N<3>}	C[5](C[5]N[5a]C[5]H)(C[5]C[5]O)(CCH){2|C<3>,4|H<1>}	108.3830	0.000	1	108.3830	0.000	1	108.2962	1.906	15	111.2795	3.889	99	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCO)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2{1|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCO){3|C<3>,3|H<1>}	110.5530	0.000	2	110.5530	0.000	2	108.2962	1.906	15	111.2795	3.889	99	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5]C[5]HH)(C[5]C[5]2)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5,6a]N[5]H)(C[5]C[5]O)2	C[5](C[5]C[5]HH)(C[5]C[5]2)(O){1|C<3>,1|N<4>,1|O<1>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5,6a]N[5]H)(C[5]C[5]O)2{2|C<4>,3|C<3>,4|H<1>}	109.2597	0.448	4	109.2597	0.201	4	108.9004	0.432	7	111.2795	3.889	99	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5]C[5]HH)(C[5]C[5]2)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]2O)(C[5]C[5]N)(C[5]C[5]O)	C[5](C[5]C[5]HH)(C[5]C[5]2)(O){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,1|N<3>}	C[5](C[5]C[5]2O)(C[5]C[5]N)(C[5]C[5]O){2|C<3>,2|O<1>,4|H<1>}	109.0830	0.000	1	109.0830	0.000	1	108.9004	0.432	7	111.2795	3.889	99	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5]C[5]HH)(C[5]C[5]2)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[5]HH)(C[5]C[5]2)(O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{2|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(C[5]C[5]O){1|C<3>,1|C<4>,5|H<1>}	108.3420	0.000	1	108.0905	0.127	2	108.9004	0.432	7	111.2795	3.889	99	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5]C[5]HH)(C[5]C[5]2)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[5]HH)(C[5]C[5]2)(O){1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{2|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(C[5]C[5]O){1|C<3>,2|C<4>,5|H<1>}	107.8390	0.000	1	108.0905	0.127	2	108.9004	0.432	7	111.2795	3.889	99	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:C[5]-3:H-1:	C[3,5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[3,5]HH)(C[5]C[5]C)(H)	C[5](C[3,5]C[3]C[5]O[3])(C[5]C[5]H)(H)2	C[5](C[5]C[3,5]C[5]H)(C[5]C[5]H)(CH3)	C[5](C[5]C[3,5]HH)(C[5]C[5]C)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[3,5]C[3]C[5]O[3])(C[5]C[5]H)(H)2{1|H<1>,4|C<4>}	C[5](C[5]C[3,5]C[5]H)(C[5]C[5]H)(CH3){2|C<4>,2|O<2>,3|H<1>}	113.3443	0.186	3	113.3443	0.035	3	113.3443	0.035	3	113.1338	1.492	34	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:C[5]-3:H-1:	C[3x5]-4:C[5]-3:H-1:H-1:	C[3x5]-4:C[5]-3:Si-4:	C[5](C[5]C[3x5]HH)(C[5]C[3x5]Si)(H)	C[5](C[3x5]C[3x5]C[5]O[5])(C[5]C[5]H)(H)2	C[5](C[3x5]C[3x5]N[5]O[5])(C[5]C[5]H)(SiC3)	C[5](C[5]C[3x5]HH)(C[5]C[3x5]Si)(H){1|C<4>,1|N<3>,2|O<2>}	C[5](C[3x5]C[3x5]C[5]O[5])(C[5]C[5]H)(H)2{1|Si<4>,1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[3x5]C[3x5]N[5]O[5])(C[5]C[5]H)(SiC3){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	116.0420	0.124	2	116.0420	0.015	2	116.0420	0.015	2	113.1338	1.492	34	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:C[5]-3:H-1:	C[4,5]-4:C[5]-3:H-1:H-1:	C[4,5]-4:C[5]-3:C-4:	C[5](C[5]C[4,5]HH)(C[5]C[4,5]C)(H)	C[5](C[4,5]C[4,5]C[4,6]N)(C[5]C[5]H)(H)2	C[5](C[4,5]C[4,5]C[4,6]H)(C[5]C[5]H)(CH3)	C[5](C[5]C[4,5]HH)(C[5]C[4,5]C)(H){1|H<1>,1|N<3>,2|C<4>}	C[5](C[4,5]C[4,5]C[4,6]N)(C[5]C[5]H)(H)2{1|H<1>,4|C<4>}	C[5](C[4,5]C[4,5]C[4,6]H)(C[5]C[5]H)(CH3){1|N<3>,2|C<4>,3|H<1>}	114.1770	0.000	1	114.1770	0.000	1	114.7550	0.668	2	113.1338	1.492	34	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:C[5]-3:H-1:	C[4,5]-4:C[5]-3:H-1:H-1:	C[4,5]-4:C[5]-3:C-4:	C[5](C[5]C[4,5]HH)(C[5]C[4,5]C)(H)	C[5](C[4,5]C[4,5]C[4]C)(C[5]C[5]H)(H)2	C[5](C[4,5]C[4,5]C[4]S)(C[5]C[5]H)(CH3)	C[5](C[5]C[4,5]HH)(C[5]C[4,5]C)(H){1|S<4>,3|C<4>}	C[5](C[4,5]C[4,5]C[4]C)(C[5]C[5]H)(H)2{1|S<4>,2|C<4>,2|H<1>}	C[5](C[4,5]C[4,5]C[4]S)(C[5]C[5]H)(CH3){2|C<4>,4|H<1>}	115.3330	0.000	1	115.3330	0.000	1	114.7550	0.668	2	113.1338	1.492	34	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)2	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(CC[6a]HO)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H){2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(CC[6a]HO){3|C<3>,3|H<1>}	112.7230	0.000	1	112.7230	0.000	1	112.7230	0.000	1	113.1338	1.492	34	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,3x6]-4:C[5]-3:C-4:	C[5](C[5]C[5,6,6]HH)(C[5]C[5,3x6]C)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]H)(H)2	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]H)(CH3)	C[5](C[5]C[5,6,6]HH)(C[5]C[5,3x6]C)(H){1|H<1>,3|C<4>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]H)(H)2{2|H<1>,4|C<4>}	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]H)(CH3){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	113.2395	0.257	2	113.2395	0.066	2	113.2395	0.066	2	113.1338	1.492	34	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2	C[5](C[5,6]C[5,6]2H)(C[5]C[5]H)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5]H)(CH3){1|O<2>,2|C<4>,4|H<1>}	112.3870	0.000	1	112.3870	0.000	1	112.8407	0.136	4	113.1338	1.492	34	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CH3){1|C<4>,1|O<2>,5|H<1>}	113.2500	0.000	1	113.2500	0.000	1	112.8407	0.136	4	113.1338	1.492	34	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CHHO)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CHHO){1|C<3>,2|O<2>,4|H<1>}	112.8630	0.184	2	112.8630	0.034	2	112.8407	0.136	4	113.1338	1.492	34	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5]CC)(C[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(CH3){2|C<3>,2|H<1>}	114.1830	0.000	1	114.1830	0.000	1	113.0389	0.798	16	113.1338	1.492	34	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(H)2	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(CC[6a]HH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){1|H<1>,1|N<4>,2|C<3>}	C[5](C[5]C[5]CC)(C[5]C[5]H)(H)2{1|C<4>,1|H<1>,1|N<4>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(CC[6a]HH){2|C<3>,2|C<4>,3|H<1>}	113.4880	0.000	1	113.4880	0.000	1	113.0389	0.798	16	113.1338	1.492	34	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2{1|H<1>,2|C<4>}	C[5](C[5]C[5]2H)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	112.7490	0.000	2	112.7130	0.004	3	113.0389	0.798	16	113.1338	1.492	34	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2{1|H<1>,2|C<4>}	C[5](C[5]C[5]2H)(C[5]C[5]H)(CH3){1|O<2>,2|C<4>,4|H<1>}	112.6410	0.000	1	112.7130	0.004	3	113.0389	0.798	16	113.1338	1.492	34	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]H)(CC[5]HH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){1|H<1>,3|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2{3|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]H)(CC[5]HH){1|C<4>,3|H<1>}	112.7020	0.000	1	112.7020	0.000	1	113.0389	0.798	16	113.1338	1.492	34	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]CO)(C[5]C[5]H)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCCO)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CO)(C[5]C[5]H)(H)2{1|H<1>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCCO){1|C<4>,1|O<2>,2|H<1>}	111.5800	0.000	1	111.5800	0.000	1	113.0389	0.798	16	113.1338	1.492	34	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]H)(CC[6a]CH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|C<4>,2|C<3>}	C[5](C[5]C[5]CC)(C[5]C[5]H)(CC[6a]CH){4|H<1>}	113.7170	0.000	1	113.7170	0.000	1	113.0389	0.798	16	113.1338	1.492	34	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|C<4>,2|C<3>}	C[5](C[5]C[5]CC)(C[5]C[5]H)(CH3){4|H<1>}	114.1870	0.000	1	114.1870	0.000	1	113.0389	0.798	16	113.1338	1.492	34	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]H)(CC3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|H<1>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(CC3){4|H<1>}	112.7145	0.521	2	112.7145	0.272	2	113.0389	0.798	16	113.1338	1.492	34	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCHH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|H<1>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCHH){4|H<1>}	113.8055	0.104	2	113.8055	0.011	2	113.0389	0.798	16	113.1338	1.492	34	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|H<1>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(CH3){4|H<1>}	113.4320	0.000	1	113.4320	0.000	1	113.0389	0.798	16	113.1338	1.492	34	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHO)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHO){4|H<1>}	113.1810	0.000	1	113.1810	0.000	1	113.0389	0.798	16	113.1338	1.492	34	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[5a]HN)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[5a]HN){4|H<1>}	110.9740	0.000	1	110.9740	0.000	1	113.0389	0.798	16	113.1338	1.492	34	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:O-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(OLi3)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|O<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(OLi3){4|H<1>}	111.4283	0.867	3	111.4283	0.751	3	111.4283	0.751	3	113.1338	1.492	34	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:S-4:	C[5](C[5]C[5]HH)(C[5]C[5]S)(H)	C[5](C[5]C[5]CS)(C[5]C[5]H)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(SCOO)	C[5](C[5]C[5]HH)(C[5]C[5]S)(H){1|C<4>,1|S<4>,2|H<1>}	C[5](C[5]C[5]CS)(C[5]C[5]H)(H)2{1|S<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(SCOO){1|C<4>,1|S<4>,2|H<1>}	111.4490	0.000	1	111.4490	0.000	1	111.4490	0.000	1	113.1338	1.492	34	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:1:1:	4:4:3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(C[5]C[5]2)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]C[5,6]O[5]O)(C[5]C[5]CC)(C[5]C[5]H)	C[5](C[5]C[5]HH)(C[5]C[5]2)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{3|C<4>}	C[5](C[5]C[5,6]O[5]O)(C[5]C[5]CC)(C[5]C[5]H){1|C<4>,2|C<3>,4|H<1>}	112.2590	0.000	1	112.2590	0.000	1	112.2590	0.000	1	112.2590	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:2:1:	3:3:1:	C[5]-4:C[5]-3:Br-1:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(Br)	C[5](C[6]C[6]2O)(C[5]C[5]Br)(O[5]C[5])(H)	C[5](C[5]C[5]Br)(C[5]O[5]O)(H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(Br){1|O<1>,1|O<2>,2|C<4>}	C[5](C[6]C[6]2O)(C[5]C[5]Br)(O[5]C[5])(H){1|O<1>,3|C<4>,4|H<1>}	C[5](C[5]C[5]Br)(C[5]O[5]O)(H){1|C<4>,1|H<1>}	111.1800	0.000	1	111.1800	0.000	1	111.1800	0.000	1	110.4121	1.983	14	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:2:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HO)(C[5]C[5]H)(H)	C[5](C[5]C[5]CO)(C[5]C[5]H)(OH)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5]HO)(C[5]C[5]H)(H){1|C<4>,1|O<1>,1|O<2>}	C[5](C[5]C[5]CO)(C[5]C[5]H)(OH)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]H)(C[5]C[5]O)(H){1|C<4>,1|H<1>,2|O<2>}	113.1275	0.357	2	113.1275	0.128	2	113.1275	0.128	2	110.4121	1.983	14	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:2:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]O[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[5]2C)(C[5]C[5]H)(O[5]C[5])(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]H)(H){1|C<3>,1|O<1>,2|C<4>}	C[5](C[5]C[5]2C)(C[5]C[5]H)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(H){1|C<4>,1|H<1>}	110.0450	0.000	1	110.0450	0.000	1	110.0450	0.000	1	110.4121	1.983	14	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:2:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(H)	C[5](C[6]C[6,6a]C[6]H)(C[5]C[5]H)(O[5]C[5])(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[6]C[6,6a]C[6]H)(C[5]C[5]H)(O[5]C[5])(H){1|C<2>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[5]H)(C[5]O[5]O)(H){1|C<4>,1|H<1>}	109.8860	0.000	1	109.8860	0.000	1	110.0741	0.172	9	110.4121	1.983	14	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:2:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(H)	C[5](C[6]C[6,6a]N[6]H)(C[5]C[5]H)(O[5]C[5])(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5](C[6]C[6,6a]N[6]H)(C[5]C[5]H)(O[5]C[5])(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[5](C[5]C[5]H)(C[5]O[5]O)(H){1|C<4>,1|H<1>}	110.1680	0.000	1	109.9210	0.122	2	110.0741	0.172	9	110.4121	1.983	14	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:2:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(H)	C[5](C[6]C[6,6a]N[6]H)(C[5]C[5]H)(O[5]C[5])(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5](C[6]C[6,6a]N[6]H)(C[5]C[5]H)(O[5]C[5])(H){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5]C[5]H)(C[5]O[5]O)(H){1|C<4>,1|H<1>}	109.6740	0.000	1	109.9210	0.122	2	110.0741	0.172	9	110.4121	1.983	14	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:2:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(H)	C[5](C[6]C[6]2C)(C[5]C[5]H)(O[5]C[5])(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(H){1|O<1>,3|C<4>}	C[5](C[6]C[6]2C)(C[5]C[5]H)(O[5]C[5])(H){1|O<1>,2|C<4>,5|H<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(H){1|C<4>,1|H<1>}	110.0890	0.000	1	110.0890	0.000	1	110.0741	0.172	9	110.4121	1.983	14	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:2:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(H)	C[5](C[6]C[6]2H)(C[5]C[5]H)(O[5]C[5])(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[6]C[6]2H)(C[5]C[5]H)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(H){1|C<4>,1|H<1>}	110.6350	0.148	2	110.5080	0.059	3	110.0741	0.172	9	110.4121	1.983	14	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:2:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(H)	C[5](C[6]C[6]2H)(C[5]C[5]H)(O[5]C[5])(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<4>}	C[5](C[6]C[6]2H)(C[5]C[5]H)(O[5]C[5])(H){1|O<1>,2|C<4>,5|H<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(H){1|C<4>,1|H<1>}	110.2540	0.000	1	110.5080	0.059	3	110.0741	0.172	9	110.4121	1.983	14	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:2:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(H)	C[5](C[6]C[6]2O)(C[5]C[5]H)(O[5]C[5])(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(H){1|O<1>,1|O<2>,2|C<4>}	C[5](C[6]C[6]2O)(C[5]C[5]H)(O[5]C[5])(H){1|O<1>,3|H<1>,4|C<4>}	C[5](C[5]C[5]H)(C[5]O[5]O)(H){1|C<4>,1|H<1>}	109.9370	0.000	1	109.9370	0.000	1	110.0741	0.172	9	110.4121	1.983	14	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:2:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(H)	C[5](C[6]C[6]O[6]C)(C[5]C[5]H)(O[5]C[5])(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[5](C[6]C[6]O[6]C)(C[5]C[5]H)(O[5]C[5])(H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(H){1|C<4>,1|H<1>}	109.3890	0.000	1	109.3890	0.000	1	110.0741	0.172	9	110.4121	1.983	14	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:2:1:	3:3:1:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HO)(C[5]C[5]H)(O)	C[5](C[5]C[5]HO)(C[5]C[5]O)(OH)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]HO)(C[5]C[5]H)(O){1|C<3>,1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]C[5]O)(OH)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(H){2|H<1>,2|O<2>}	107.6230	0.000	1	107.6230	0.000	1	107.6230	0.000	1	110.4121	1.983	14	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:2:1:	3:3:3:	C[5]-4:C[5]-3:H-1:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6]O[5]H)(C[5]C[6a]C[5])(H)	C[5](C[6]C[6]2H)(C[5]C[5]H)(O[5]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]O[5]O)	C[5](C[5]C[6]O[5]H)(C[5]C[6a]C[5])(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[6]C[6]2H)(C[5]C[5]H)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]O[5]O){1|C<4>,2|C<3>,3|H<1>}	111.4590	0.000	1	111.4590	0.000	1	111.4590	0.000	1	111.4590	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:2:1:	3:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3){1|C<4>,1|H<1>}	110.5990	0.000	1	110.7090	0.011	3	110.5760	0.078	4	109.3964	4.739	7	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:2:1:	3:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3){1|C<4>,1|H<1>}	110.7160	0.000	1	110.7090	0.011	3	110.5760	0.078	4	109.3964	4.739	7	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:2:1:	3:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(H){1|O<1>,2|H<1>,4|C<4>}	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3){1|C<4>,1|H<1>}	110.8120	0.000	1	110.7090	0.011	3	110.5760	0.078	4	109.3964	4.739	7	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:2:1:	3:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]H)(O[5]C[5])(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]H)(O[5]C[5])(H){1|H<1>,1|O<1>,4|C<4>}	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3){1|C<4>,1|H<1>}	110.1770	0.000	1	110.1770	0.000	1	110.5760	0.078	4	109.3964	4.739	7	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:2:1:	3:3:4:	C[5]-4:C[5]-3:H-1:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6]O[5]H)(C[5]C[5]C)(H)	C[5](C[6]C[6]O[6]H)(C[5]C[5]H)(O[5]C[5])(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)	C[5](C[5]C[6]O[5]H)(C[5]C[5]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[6]C[6]O[6]H)(C[5]C[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3){1|C<4>,1|H<1>}	110.9130	0.000	1	110.9130	0.000	1	110.9130	0.000	1	109.3964	4.739	7	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:2:1:	3:3:4:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HO)(C[5]C[5]C)(O)	C[5](C[5]C[5]CC)(C[5]C[5]O)(OH)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCCH)	C[5](C[5]C[5]HO)(C[5]C[5]C)(O){1|C<3>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]O)(OH)(H){2|C<4>}	C[5](C[5]C[5]C)(C[5]C[5]O)(CCCH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	106.2790	0.946	2	106.2790	0.895	2	106.2790	0.895	2	109.3964	4.739	7	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:2:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[4,5]-4:C[5]-3:O-2:H-1:	C[4,5]-4:C[5]-3:H-1:	C[5](C[5]C[4,5]HO)(C[5]C[4,5]H)(H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]H)(OH)(H)	C[5](C[4,5]C[4,5]N[4]C)(C[5]C[5]H)(H)	C[5](C[5]C[4,5]HO)(C[5]C[4,5]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]H)(OH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5](C[4,5]C[4,5]N[4]C)(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	115.2140	0.796	2	115.2140	0.634	2	115.2140	0.634	2	113.0544	3.937	17	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:2:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5]-3:O-2:H-1:	C[5,5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,5,6]HO)(C[5]C[5,5,6]H)(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(OC)(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(H)	C[5](C[5]C[5,5,6]HO)(C[5]C[5,5,6]H)(H){2|C<4>,2|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(OC)(H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	112.1030	0.000	1	112.1030	0.000	1	112.1030	0.000	1	113.0544	3.937	17	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:2:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]HO)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(OC)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[5,5]HO)(C[5]C[5,5]H)(H){2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(OC)(H){2|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	113.0360	0.000	1	113.0360	0.000	1	113.0360	0.000	1	113.0544	3.937	17	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:2:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:C-2:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]H)(CN)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(H){1|C<4>,1|H<1>,2|O<2>}	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]H)(CN)(H){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H){1|C<2>,1|C<4>,2|O<2>,3|H<1>}	111.2010	0.000	1	111.2010	0.000	1	111.2010	0.000	1	113.0544	3.937	17	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:2:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:O-2:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]HO)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[3,6]C[5,6]H)(C[5]C[5]H)(OH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)	C[5](C[5]C[5,6]HO)(C[5]C[5,6]H)(H){2|C<4>,2|H<1>}	C[5](C[5,6]C[3,6]C[5,6]H)(C[5]C[5]H)(OH)(H){1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	112.4820	0.000	1	112.4820	0.000	1	112.4820	0.000	1	113.0544	3.937	17	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:2:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:N-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HN)(C[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(NN)(H)	C[5](C[5]C[5]HN)(C[5]C[5]H)(H)	C[5](C[5]C[5]HN)(C[5]C[5]H)(H){1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(NN)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HN)(C[5]C[5]H)(H){1|C<3>,1|N<2>,2|H<1>}	112.0760	0.000	1	112.0760	0.000	1	112.0760	0.000	1	113.0544	3.937	17	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:2:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HO)(C[5]C[5]H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5]HO)(C[5]C[5]H)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(OH)(H){3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H){1|C<4>,1|O<2>,2|H<1>}	111.2790	0.000	1	111.2790	0.000	1	112.0415	0.846	8	113.0544	3.937	17	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:2:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HO)(C[5]C[5]H)(H)	C[5](C[5]C[5]CO)(C[5]C[5]H)(OH)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(H)	C[5](C[5]C[5]HO)(C[5]C[5]H)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CO)(C[5]C[5]H)(OH)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(H){1|H<1>,3|C<4>,3|O<2>}	113.0790	0.099	2	113.0790	0.010	2	112.0415	0.846	8	113.0544	3.937	17	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:2:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HO)(C[5]C[5]H)(H)	C[5](C[5]C[5]FF)(C[5]C[5]H)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]HO)(C[5]C[5]H)(H){1|C<4>,1|H<1>,2|F<1>}	C[5](C[5]C[5]FF)(C[5]C[5]H)(OC)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(H){1|H<1>,1|O<2>,2|F<1>}	112.0100	0.000	1	112.0100	0.000	1	112.0415	0.846	8	113.0544	3.937	17	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:2:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HO)(C[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(OH)(H)	C[5](C[5]N[5a]C[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[5]HO)(C[5]C[5]H)(H){1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(OH)(H){1|N<3>,2|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>}	113.0450	0.000	1	113.0450	0.000	1	112.0415	0.846	8	113.0544	3.937	17	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:2:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HO)(C[5]C[5]H)(H)	C[5](C[5]C[5]HO)(C[5]C[5]H)(OC)(H)	C[5](C[5]C[5]HN)(C[5]C[5]H)(H)	C[5](C[5]C[5]HO)(C[5]C[5]H)(H){1|N<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]C[5]H)(OC)(H){1|N<3>,2|H<1>}	C[5](C[5]C[5]HN)(C[5]C[5]H)(H){2|H<1>,2|O<2>}	110.7750	0.000	1	110.7750	0.000	1	112.0415	0.846	8	113.0544	3.937	17	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:2:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HO)(C[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(OH)(H)	C[5](C[5]C[5]HN)(C[5]C[5]H)(H)	C[5](C[5]C[5]HO)(C[5]C[5]H)(H){1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(OH)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HN)(C[5]C[5]H)(H){1|C<3>,1|O<2>,2|H<1>}	111.5325	0.218	2	111.5325	0.048	2	112.0415	0.846	8	113.0544	3.937	17	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:2:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:O-2:H-1:	S[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HO)(C[5]S[5]H)(H)	C[5](C[5]S[5]HH)(C[5]C[5]H)(OC)(H)	C[5](S[5]C[5]OO)(C[5]C[5]H)(H)	C[5](C[5]C[5]HO)(C[5]S[5]H)(H){2|H<1>,2|O<1>}	C[5](C[5]S[5]HH)(C[5]C[5]H)(OC)(H){1|H<1>,2|O<1>}	C[5](S[5]C[5]OO)(C[5]C[5]H)(H){1|O<2>,3|H<1>}	117.1330	0.000	2	117.1330	0.000	2	117.1330	0.000	2	113.0544	3.937	17	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:2:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[3]-4:C[5]-3:C[5]-3:	C[5](C[5]C[5]O[5]H)(C[5]C[3]C[5])(H)	C[5](C[5]C[5]2H)(C[5]C[5]H)(O[5]C[5])(H)	C[5](C[3]C[3]O[3]H)(C[5]C[5]H)(C[5]O[5]O)	C[5](C[5]C[5]O[5]H)(C[5]C[3]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]H)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[3]C[3]O[3]H)(C[5]C[5]H)(C[5]O[5]O){2|C<4>,2|H<1>}	109.8620	0.000	1	109.8620	0.000	1	109.8620	0.000	1	109.8620	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:2:1:	4:3:4:	C[5]-4:C[5]-3:H-1:	C[3,5]-4:C[5]-3:O-2:H-1:	C[3,5]-4:C[5]-3:C-4:	C[5](C[5]C[3,5]HO)(C[5]C[3,5]C)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]H)(OC)(H)	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]H)(CHHO)	C[5](C[5]C[3,5]HO)(C[5]C[3,5]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]H)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]H)(CHHO){1|C<3>,1|O<2>,3|H<1>}	112.9710	0.000	1	112.9710	0.000	1	112.9710	0.000	1	112.7212	0.986	10	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:2:1:	4:3:4:	C[5]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5]-3:O-2:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5](C[5]C[5,5,6]HO)(C[5]C[5,5]C)(H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]H)(OH)(H)	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]C[5]H)(CH3)	C[5](C[5]C[5,5,6]HO)(C[5]C[5,5]C)(H){1|H<1>,3|C<4>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]H)(OH)(H){4|H<1>,5|C<4>}	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]C[5]H)(CH3){1|H<1>,3|C<4>,3|O<2>}	113.6010	0.000	1	113.6010	0.000	1	113.6010	0.000	1	112.7212	0.986	10	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:2:1:	4:3:4:	C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:O-2:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5](C[5]C[5,6]HO)(C[5]C[5,6]C)(H)	C[5](C[5,6]C[3,6,6]C[5,6]C)(C[5]C[5]H)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCCO)	C[5](C[5]C[5,6]HO)(C[5]C[5,6]C)(H){1|C<3>,3|C<4>}	C[5](C[5,6]C[3,6,6]C[5,6]C)(C[5]C[5]H)(OH)(H){1|O<2>,2|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCCO){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	113.5620	0.000	1	113.5620	0.000	1	113.4250	0.038	2	112.7212	0.986	10	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:2:1:	4:3:4:	C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:O-2:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5](C[5]C[5,6]HO)(C[5]C[5,6]C)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]H)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCCH)	C[5](C[5]C[5,6]HO)(C[5]C[5,6]C)(H){1|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]H)(OH)(H){1|C<3>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCCH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	113.2880	0.000	1	113.2880	0.000	1	113.4250	0.038	2	112.7212	0.986	10	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:2:1:	4:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HO)(C[5]C[5]C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCCO)	C[5](C[5]C[5]HO)(C[5]C[5]C)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(OH)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCCO){1|C<4>,1|O<2>,2|H<1>}	111.8710	0.000	1	111.8710	0.000	1	112.2983	1.187	6	112.7212	0.986	10	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:2:1:	4:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HO)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(OC)(H)	C[5](C[5]C[5]2C)(C[5]C[5]H)(CCHH)	C[5](C[5]C[5]HO)(C[5]C[5]C)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(OC)(H){3|C<4>}	C[5](C[5]C[5]2C)(C[5]C[5]H)(CCHH){1|C<3>,2|O<2>,4|H<1>}	111.4290	0.000	2	111.4290	0.000	2	112.2983	1.187	6	112.7212	0.986	10	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:2:1:	4:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HO)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(OC)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(CCHH)	C[5](C[5]C[5]HO)(C[5]C[5]C)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(OC)(H){1|C<3>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]H)(CCHH){1|O<2>,3|H<1>}	113.4570	0.000	1	113.4570	0.000	1	112.2983	1.187	6	112.7212	0.986	10	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:2:1:	4:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HO)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HO)	C[5](C[5]C[5]HO)(C[5]C[5]C)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(OH)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HO){1|O<2>,3|H<1>}	111.7090	0.000	1	111.7090	0.000	1	112.2983	1.187	6	112.7212	0.986	10	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:2:1:	4:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HO)(C[5]C[5]C)(H)	C[5](C[5]C[5]HO)(C[5]C[5]H)(OH)(H)	C[5](C[5]C[5]HO)(C[5]C[5]H)(CHHO)	C[5](C[5]C[5]HO)(C[5]C[5]C)(H){2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(C[5]C[5]H)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]C[5]H)(CHHO){2|H<1>,2|O<2>}	113.8950	0.000	1	113.8950	0.000	1	112.2983	1.187	6	112.7212	0.986	10	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:2:2:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:O[5]-2:O-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]O[5]O)(C[5]C[5]H)(H)	C[5](C[5]C[5]2H)(C[5]C[5]H)(O[5]C[5])(OC[6])	C[5](C[5]C[5]H)(C[5]O[5]O)(H)	C[5](C[5]C[5]O[5]O)(C[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5]2H)(C[5]C[5]H)(O[5]C[5])(OC[6]){1|C<3>,1|O<1>,2|O<2>,4|H<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(H){1|C<4>,1|O<2>}	109.8340	0.000	1	109.8340	0.000	1	109.8340	0.000	1	109.8340	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:2:2:	4:3:1:	C[5]-4:C[5]-3:Cl-1:	C[4,5]-4:C[5]-3:O-2:O-2:	C[4,5]-4:C[5]-3:Cl-1:	C[5](C[5]C[4,5]OO)(C[5]C[4,5]Cl)(Cl)	C[5](C[4,5]C[4,4]C[4,5]H)(C[5]C[5]Cl)(OC)2	C[5](C[4,5]C[4,4]C[4,5]O)(C[5]C[5]Cl)(Cl)	C[5](C[5]C[4,5]OO)(C[5]C[4,5]Cl)(Cl){1|H<1>,1|O<2>,2|C<4>}	C[5](C[4,5]C[4,4]C[4,5]H)(C[5]C[5]Cl)(OC)2{1|Cl<1>,1|C<3>,1|C<4>,2|O<2>}	C[5](C[4,5]C[4,4]C[4,5]O)(C[5]C[5]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,2|O<2>}	112.8290	0.000	1	112.8290	0.000	1	112.8290	0.000	1	111.4875	3.599	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:2:2:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:O[5]-2:O-2:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]O[5]O)(C[5]C[5]H)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]H)(O[5]C[5])(OC)	C[5](C[5]O[5]HO)(C[5]C[5]H)(H)	C[5](C[5]C[5]O[5]O)(C[5]C[5]H)(H){1|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]H)(O[5]C[5])(OC){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]O[5]HO)(C[5]C[5]H)(H){1|C<4>,1|O<2>}	110.1460	0.000	1	110.1460	0.000	1	110.1460	0.000	1	111.4875	3.599	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:2:2:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C-2:C-2:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5,5]CC)(C[5]C[5]C)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(CN)2	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(COO)	C[5](C[5]C[5,5]CC)(C[5]C[5]C)(H){1|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(CN)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(COO){2|C<2>,4|C<3>}	111.1610	0.000	1	111.1610	0.000	1	111.1610	0.000	1	111.1610	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:2:2:	4:3:4:	C[5]-4:C[5]-3:O-1:	C[5,5]-4:C[5]-3:C-2:C-2:	C[5]-4:C[5]-3:P-4:	C[5](C[5]C[5,5]CC)(C[5]C[5]P)(O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CN)2	C[5](C[5]C[5,5]CO)(C[5]C[5]O)(PC[6a]3)	C[5](C[5]C[5,5]CC)(C[5]C[5]P)(O){1|O<2>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CN)2{1|N<3>,1|O<1>,1|O<2>,1|P<4>,3|C<3>}	C[5](C[5]C[5,5]CO)(C[5]C[5]O)(PC[6a]3){2|C<2>,2|C<3>}	107.1920	0.000	1	107.1920	0.000	1	107.1920	0.000	1	107.1920	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:2:4:	3:3:1:	C[5]-4:C[5]-3:H-1:	C-4:C[5]-3:O[5]-2:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]O[5]CC)(C[5]C[5]H)(H)	C[5](CC[5a]C[6a]H)(C[5]C[5]H)(O[5]C[5])(CH3)	C[5](C[5]C[5]H)(C[5]O[5]O)(H)	C[5](C[5]O[5]CC)(C[5]C[5]H)(H){1|O<1>}	C[5](CC[5a]C[6a]H)(C[5]C[5]H)(O[5]C[5])(CH3){1|H<1>,1|O<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(H){2|C<4>}	110.3910	0.000	1	110.3910	0.000	1	110.3910	0.000	1	110.6868	0.718	12	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:2:4:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:O[5]-2:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]O[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5]H)(O[5]C[5])(CH3)	C[5](C[5]C[5]H)(C[5]O[5]O)(H)	C[5](C[5]C[5]O[5]C)(C[5]C[5]H)(H){1|O<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5]H)(O[5]C[5])(CH3){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(H){2|C<4>}	110.6660	0.000	1	110.6660	0.000	1	111.4240	0.770	5	110.6868	0.718	12	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:2:4:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:O[5]-2:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]O[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]2H)(C[5]C[5]H)(O[5]C[5])(CH3)	C[5](C[5]C[5]H)(C[5]O[5]O)(H)	C[5](C[5]C[5]O[5]C)(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]2H)(C[5]C[5]H)(O[5]C[5])(CH3){1|C<3>,1|C<4>,2|O<1>,3|H<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(H){2|C<4>}	111.1830	0.000	1	111.6135	0.787	4	111.4240	0.770	5	110.6868	0.718	12	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:2:4:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:O[5]-2:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]O[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]2H)(C[5]C[5]H)(O[5]C[5])(CH3)	C[5](C[5]C[5]H)(C[5]O[5]O)(H)	C[5](C[5]C[5]O[5]C)(C[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5]2H)(C[5]C[5]H)(O[5]C[5])(CH3){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(H){2|C<4>}	111.7570	1.028	3	111.6135	0.787	4	111.4240	0.770	5	110.6868	0.718	12	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:2:4:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[6]-4:C[5]-3:O[5]-2:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6]O[5]C)(C[5]C[5]H)(H)	C[5](C[6]C[6,6a]C[6]H)(C[5]C[5]H)(O[5]C[5])(CH3)	C[5](C[5]C[5]H)(C[5]O[5]O)(H)	C[5](C[5]C[6]O[5]C)(C[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[6]C[6,6a]C[6]H)(C[5]C[5]H)(O[5]C[5])(CH3){1|C<2>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[5]H)(C[5]O[5]O)(H){2|C<4>}	110.1795	0.244	2	110.1795	0.060	2	110.1218	0.019	6	110.6868	0.718	12	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:2:4:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[6]-4:C[5]-3:O[5]-2:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6]O[5]C)(C[5]C[5]H)(H)	C[5](C[6]C[6]O[6]H)(C[5]C[5]H)(O[5]C[5])(CH3)	C[5](C[5]C[5]H)(C[5]O[5]O)(H)	C[5](C[5]C[6]O[5]C)(C[5]C[5]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[6]C[6]O[6]H)(C[5]C[5]H)(O[5]C[5])(CH3){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(H){2|C<4>}	110.0930	0.095	4	110.0930	0.009	4	110.1218	0.019	6	110.6868	0.718	12	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:2:4:	3:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:O[5]-2:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]C)(H)	C[5](C[5]C[5,6a]C[5]N)(C[5]C[5]H)(O[5]C[5])(CH3)	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)	C[5](C[5]C[5]O[5]C)(C[5]C[5]C)(H){1|N<3>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]C[5]N)(C[5]C[5]H)(O[5]C[5])(CH3){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3){2|C<4>}	111.2630	0.000	1	111.2630	0.000	1	111.7553	0.510	4	111.7553	0.510	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:2:4:	3:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:O[5]-2:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]C)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(CCHH)	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)	C[5](C[5]C[5]O[5]C)(C[5]C[5]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(CCHH){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3){2|C<4>}	112.1170	0.986	2	112.1170	0.972	2	111.7553	0.510	4	111.7553	0.510	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:2:4:	3:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:O[5]-2:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]C)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(CH3)	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)	C[5](C[5]C[5]O[5]C)(C[5]C[5]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(CH3){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3){2|C<4>}	111.5240	0.000	1	111.5240	0.000	1	111.7553	0.510	4	111.7553	0.510	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:1:	3:2:3:	C[5]-4:C[5]-3:H-1:	P[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-3:Se[5]-2:C-3:	C[5](C[5]C[6a]P[5]H)(C[5]Se[5]C)(H)	C[5](P[5]C[6a]Se[5]Se)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(Se[5]P[5])(CCH)	C[5](C[5]C[6a]P[5]H)(C[5]Se[5]C)(H){1|Se<1>,3|C<3>}	C[5](P[5]C[6a]Se[5]Se)(C[6a]C[6a]2)(C[5]C[5]H)(H){2|H<1>,5|C<3>}	C[5](C[5]C[5]H)(Se[5]P[5])(CCH){1|Se<1>,1|H<1>,2|C<3>}	123.3320	0.000	1	123.3320	0.000	1	123.3320	0.000	1	123.3320	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5,5]CH)(C[5]C[5]H)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(COO)(H)	C[5](C[5]C[5,5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5]H)(H){1|C<2>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(COO)(H){1|C<2>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5]C[5,5]C)(C[5]C[5]H)(H){1|H<1>,3|C<3>}	103.4010	0.000	1	103.4010	0.000	1	103.4010	0.000	1	109.3435	6.457	27	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(CC[6a]O)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(H){1|H<1>,2|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(CC[6a]O)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){2|C<3>,2|H<1>}	111.8320	0.000	1	111.8320	0.000	1	111.8320	0.000	1	109.3435	6.457	27	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HN)(C[5]C[5]H)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(NC[6a]C)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5]HN)(C[5]C[5]H)(H){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(NC[6a]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]H)(C[5]C[5]O)(H){1|C<4>,1|N<3>,2|H<1>}	113.0870	0.638	2	113.0870	0.407	2	112.9680	0.246	3	109.3435	6.457	27	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HN)(C[5]C[5]H)(H)	C[5](C[5]C[5]HN)(C[5]C[5]H)(NC[6a]H)(H)	C[5](C[5]C[5]C[6])(C[5]C[5]H)(H)	C[5](C[5]C[5]HN)(C[5]C[5]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5](C[5]C[5]HN)(C[5]C[5]H)(NC[6a]H)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]C[6])(C[5]C[5]H)(H){2|C<4>,2|H<1>,2|N<3>}	112.7300	0.000	1	112.7300	0.000	1	112.9680	0.246	3	109.3435	6.457	27	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(N[5]C[5]2)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(N[5]C[5]2)(H){1|H<1>,2|C<3>,3|O<1>}	C[5](C[5]C[5]H)(C[5]C[5]O)(H){1|N<3>,3|H<1>}	113.1740	0.000	1	113.1740	0.000	1	113.1740	0.000	1	109.3435	6.457	27	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:N[6]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]N[6]H)(C[5]C[5]H)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]2)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5]N[6]H)(C[5]C[5]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]2)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5]H)(C[5]C[5]O)(H){1|C<3>,1|N<3>,2|H<1>}	112.9795	0.152	2	112.9795	0.023	2	112.9795	0.023	2	109.3435	6.457	27	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[6]-4:C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6]N[5]H)(C[5]C[5]H)(H)	C[5](C[6]C[6,6a]N[6]H)(C[5]C[5]H)(N[5]C[5]C)(H)	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](C[5]C[6]N[5]H)(C[5]C[5]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[6]C[6,6a]N[6]H)(C[5]C[5]H)(N[5]C[5]C)(H){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|H<1>}	111.1295	0.114	2	111.1295	0.013	2	111.1295	0.013	2	109.3435	6.457	27	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	Ga[5]-4:C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]Ga[5]C[5]H)(C[5]C[5]H)(H)	C[5](Ga[5]N[5,6]C[5]2)(C[5]C[5]H)2(H)	C[5](C[5]C[5]H)2(H)	C[5](C[5]Ga[5]C[5]H)(C[5]C[5]H)(H){1|N<3>,2|C<4>,2|H<1>}	C[5](Ga[5]N[5,6]C[5]2)(C[5]C[5]H)2(H){3|Si<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5]H)2(H){1|Ga<4>,2|H<1>}	109.1670	0.359	4	109.1670	0.129	4	109.1670	0.129	4	109.3435	6.457	27	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:1:	3:3:1:	C[5]-4:C[5]-3:O-1:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,5]-3:C[5]-3:H-1:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]H)(O)	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]O)(H)	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[5]O)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]H)(O){1|O<2>,4|C<3>}	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]O)(H){3|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[5]O)(H){1|H<1>,1|O<2>,4|C<3>}	108.5390	0.000	1	108.5390	0.000	1	108.5390	0.000	1	109.3435	6.457	27	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:1:	3:3:1:	C[5]-4:C[5]-3:O-1:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5,6]-3:C[5]-3:H-1:	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]H)(O)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]O)(H)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]O)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]H)(O){2|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]O)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]O)(H){1|C<3>,2|H<1>,4|C<4>}	107.2025	0.288	2	107.2025	0.083	2	107.2025	0.083	2	109.3435	6.457	27	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:1:	3:3:1:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]H)(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCC)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(O){1|H<1>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCC)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(H){1|C<3>,1|C<4>,2|H<1>}	107.2835	0.411	2	107.2835	0.169	2	107.2835	0.169	2	109.3435	6.457	27	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:1:	3:3:1:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:C[6]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(O)	C[5](C[5]C[5]HN)(C[5]C[5]O)(C[6]C[6]2)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(O){1|N<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HN)(C[5]C[5]O)(C[6]C[6]2)(H){2|H<1>,2|N<3>,2|O<1>}	C[5](C[5]C[5]H)(C[5]C[5]O)(H){1|C<3>,1|N<4>,2|H<1>}	108.0343	0.127	3	108.0343	0.016	3	107.8209	0.191	8	109.3435	6.457	27	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:1:	3:3:1:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:C[6]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(O)	C[5](C[5]C[5]N[5]H)(C[5]C[5]O)(C[6]C[6]2)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(O){1|N<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]O)(C[6]C[6]2)(H){2|C<4>,2|O<1>,2|O<2>,3|H<1>}	C[5](C[5]C[5]H)(C[5]C[5]O)(H){1|C<3>,1|N<4>,2|H<1>}	107.3770	0.000	1	107.3770	0.000	1	107.8209	0.191	8	109.3435	6.457	27	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:1:	3:3:1:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:C[6]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(O)	C[5](C[5]C[5]N[6]H)(C[5]C[5]O)(C[6]C[6]2)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(O){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5]N[6]H)(C[5]C[5]O)(C[6]C[6]2)(H){2|C<4>,2|H<1>,2|O<1>,2|O<2>}	C[5](C[5]C[5]H)(C[5]C[5]O)(H){1|C<3>,1|N<3>,2|H<1>}	107.3505	0.361	2	107.7717	0.320	4	107.8209	0.191	8	109.3435	6.457	27	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:1:	3:3:1:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:C[6]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(O)	C[5](C[5]C[5]N[6]H)(C[5]C[5]O)(C[6]C[6]2)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(O){1|N<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]N[6]H)(C[5]C[5]O)(C[6]C[6]2)(H){2|C<4>,2|O<1>,2|O<2>,3|H<1>}	C[5](C[5]C[5]H)(C[5]C[5]O)(H){1|C<3>,1|N<4>,2|H<1>}	108.1930	0.346	2	107.7717	0.320	4	107.8209	0.191	8	109.3435	6.457	27	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:1:	3:3:2:	C[5]-4:C[5]-3:O-1:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,5]-3:C[5]-3:O-2:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(O)	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]O)(H)	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[5]O)(OC)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(O){1|O<2>,4|C<3>}	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]O)(H){1|O<2>,2|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[5]O)(OC){1|H<1>,1|O<2>,4|C<3>}	107.5440	0.000	2	107.5440	0.000	2	107.5440	0.000	2	107.5440	0.000	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:1:	3:3:3:	C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	N[5,6]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]C[6a])(H)	C[5](C[5,6]C[6,6a]N[5,6]C)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[5](N[5,6]C[5,6]N[6])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]C[6a])(H){1|C<4>,1|N<2>,5|C<3>}	C[5](C[5,6]C[6,6a]N[5,6]C)(C[6a]C[6a]2)(C[5]C[5]H)(H){1|N<2>,2|H<1>,5|C<3>}	C[5](N[5,6]C[5,6]N[6])(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,3|H<1>,5|C<3>}	111.9140	0.000	1	111.9140	0.000	1	111.9140	0.000	1	111.9140	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:1:	3:3:4:	C[5]-4:C[5]-3:O-1:	C[5,5]-4:C[5]-3:C-3:H-1:	C[5,5]-3:C[5]-3:C-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(O)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]O)(COO)(H)	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(O){1|C<3>,1|H<1>,1|N<3>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]O)(COO)(H){1|C<4>,1|S<4>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[5]O)(CH3){1|N<3>,2|H<1>,3|C<3>}	108.3810	0.000	1	108.3810	0.000	1	108.3810	0.000	1	108.4147	0.009	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:1:	3:3:4:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CN[5]O)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]CH)(C[5]C[5]C)(O){1|H<1>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(CN[5]O)(H){2|C<4>}	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,2|H<1>}	108.3470	0.000	1	108.3470	0.000	1	108.4520	0.022	2	108.4147	0.009	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:1:	3:3:4:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(COO)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CH3)	C[5](C[5]C[5]CH)(C[5]C[5]C)(O){1|H<1>,2|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(COO)(H){1|C<4>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CH3){2|H<1>,4|C<3>}	108.5570	0.000	1	108.5570	0.000	1	108.4520	0.022	2	108.4147	0.009	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:1:	3:3:4:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:Si-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]Si)(O)	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]O)(H)	C[5](C[5]C[5]C[6])(C[5]C[5]O)(SiC3)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]Si)(O){1|C<4>,1|O<2>,3|C<3>}	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]O)(H){1|Si<4>,1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5]C[6])(C[5]C[5]O)(SiC3){1|Cr<9>,1|H<1>,1|O<2>,2|C<3>,2|C<4>}	108.3740	0.000	1	108.3740	0.000	1	108.3740	0.000	1	108.4147	0.009	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:1:	3:4:3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)(H){1|O<2>,3|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H){4|C<3>,4|H<1>}	110.2610	0.000	1	112.3000	3.664	3	112.3000	3.664	3	112.3000	3.664	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:1:	3:4:3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)(H){4|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H){4|C<3>,4|H<1>}	113.3195	1.044	2	112.3000	3.664	3	112.3000	3.664	3	112.3000	3.664	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:N-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]HN)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(NCH)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[5,5]HN)(C[5]C[5,5]H)(H){1|C<3>,1|N<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(NCH)(H){1|C<3>,1|N<3>,3|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]H)(H){1|N<3>,2|H<1>,3|C<3>}	113.1220	0.000	1	113.1220	0.000	1	112.8917	0.056	3	113.1205	5.716	24	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:N-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]HN)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]H)(NHS)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[5,5]HN)(C[5]C[5,5]H)(H){1|N<3>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]H)(NHS)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(H){1|C<3>,2|H<1>,2|N<3>}	112.9020	0.000	1	112.9020	0.000	1	112.8917	0.056	3	113.1205	5.716	24	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:N-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]HN)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(NCN)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[5,5]HN)(C[5]C[5,5]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(NCN)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H){1|N<3>,2|C<3>,4|H<1>}	112.6510	0.000	1	112.6510	0.000	1	112.8917	0.056	3	113.1205	5.716	24	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:C-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CCH)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]H)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CCH)(H){1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]H)(H){1|C<3>,2|C<4>,4|H<1>}	111.7980	0.000	1	111.7980	0.000	1	112.0493	0.504	4	113.1205	5.716	24	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:C-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]C[6]Ru)(C[5]C[5]H)(CCC)(H)	C[5](C[5,6]C[5,6]C[6]Ru)(C[5]C[5]H)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(H){1|Ru<9>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]Ru)(C[5]C[5]H)(CCC)(H){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]Ru)(C[5]C[5]H)(H){1|C<3>,2|C<4>,2|H<1>}	111.6280	0.000	1	111.6280	0.000	1	112.0493	0.504	4	113.1205	5.716	24	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:C-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]H)(CC[6a]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(H){1|C<4>,1|H<1>,2|O<2>}	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]H)(CC[6a]O)(H){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	112.3855	1.022	2	112.3855	1.044	2	112.0493	0.504	4	113.1205	5.716	24	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:N-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]HN)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]H)(NOO)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)	C[5](C[5]C[5,6]HN)(C[5]C[5,6]H)(H){1|C<4>,1|H<1>,2|O<2>}	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]H)(NOO)(H){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H){1|C<4>,1|N<3>,2|O<2>,3|H<1>}	111.6710	0.000	1	111.6710	0.000	1	111.6710	0.000	1	113.1205	5.716	24	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:N-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]HN)(C[5]C[5]H)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(NHS)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5,6]HN)(C[5]C[5]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(NHS)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	111.4850	0.000	2	111.4850	0.000	2	111.4850	0.000	2	113.1205	5.716	24	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5]H)(H)	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[5](C[5]C[5,6]CC)(C[5]C[5]H)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5]H)(H){6|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]C[5]H)(H){5|H<1>,6|C<3>}	C[5](C[5]C[5,6]CC)(C[5]C[5]H)(H){1|H<1>,3|C<3>}	113.4700	0.000	1	113.4700	0.000	1	113.4700	0.000	1	113.1205	5.716	24	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]CO)(C[5]C[5]H)(CCH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(H){1|C<2>,1|O<2>,2|C<3>}	C[5](C[5]C[5]CO)(C[5]C[5]H)(CCH)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5]CC)(C[5]C[5]H)(H){1|C<2>,1|C<3>,1|H<1>,1|O<2>}	112.1440	0.000	1	112.1440	0.000	1	112.6145	0.443	2	113.1205	5.716	24	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]HN)(C[5]C[5]H)(CCH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(H){1|N<3>,3|H<1>}	C[5](C[5]C[5]HN)(C[5]C[5]H)(CCH)(H){3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H){1|C<3>,1|N<3>,2|H<1>}	113.0850	0.000	1	113.0850	0.000	1	112.6145	0.443	2	113.1205	5.716	24	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HN)(C[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(NCO)(H)	C[5](C[5]C[4]C[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[5]HN)(C[5]C[5]H)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(NCO)(H){1|C<4>,2|H<1>}	C[5](C[5]C[4]C[5]H)(C[5]C[5]H)(H){1|C<4>,2|N<3>,4|H<1>}	110.6940	0.000	1	110.6940	0.000	1	111.9285	1.977	6	113.1205	5.716	24	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HN)(C[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(NCS)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5]HN)(C[5]C[5]H)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(NCS)(H){3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H){1|N<3>,3|H<1>}	111.8950	0.000	1	111.8950	0.000	1	111.9285	1.977	6	113.1205	5.716	24	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HN)(C[5]C[5]H)(H)	C[5](C[5]C[5]HO)(C[5]C[5]H)(NHS)(H)	C[5](C[5]C[5]HO)(C[5]C[5]H)(H)	C[5](C[5]C[5]HN)(C[5]C[5]H)(H){2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(C[5]C[5]H)(NHS)(H){1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]C[5]H)(H){1|N<3>,1|O<2>,2|H<1>}	110.0270	0.000	1	110.0270	0.000	1	111.9285	1.977	6	113.1205	5.716	24	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HN)(C[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(NCN)(H)	C[5](C[5]C[5]HN)(C[5]C[5]H)(H)	C[5](C[5]C[5]HN)(C[5]C[5]H)(H){1|C<3>,1|N<2>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(NCN)(H){1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HN)(C[5]C[5]H)(H){1|C<3>,1|N<3>,2|H<1>}	112.1180	0.000	1	112.1180	0.000	1	111.9285	1.977	6	113.1205	5.716	24	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HN)(C[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(NCO)(H)	C[5](C[5]C[5]HO)(C[5]C[5]H)(H)	C[5](C[5]C[5]HN)(C[5]C[5]H)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(NCO)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]C[5]H)(H){1|C<3>,1|N<3>,2|H<1>}	113.4185	0.520	2	113.4185	0.270	2	111.9285	1.977	6	113.1205	5.716	24	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[3,5]-4:C[5]-3:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[3,5]H)(H)	C[5](C[5]C[3,5]HN)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[5](C[3,5]C[3]2C[5])(C[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[3,5]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5](C[5]C[3,5]HN)(C[6a]C[6a]2)(C[5]C[5]H)(H){2|C<3>,2|H<1>,3|C<4>}	C[5](C[3,5]C[3]2C[5])(C[5]C[5]H)(H){1|C<3>,1|N<3>,6|H<1>}	112.5380	0.000	1	112.5380	0.000	1	112.5380	0.000	1	113.1205	5.716	24	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	P[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]P[5]CH)(C[5]C[5]H)(H)	C[5](P[5]C[5]CW)(C[5]C[5]H)(CCH)(H)	C[5](C[5]P[5]CH)(C[5]C[5]H)(H)	C[5](C[5]P[5]CH)(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|H<1>,1|W<6>}	C[5](P[5]C[5]CW)(C[5]C[5]H)(CCH)(H){1|C<3>,2|H<1>}	C[5](C[5]P[5]CH)(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|H<1>,1|W<6>}	115.6665	0.182	2	115.6665	0.033	2	115.6665	0.033	2	113.1205	5.716	24	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	Si[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[6a]Si[5]H)(C[5]C[5]H)(H)	C[5](Si[5]C[5]NN)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[5](C[5]C[6a]Si[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[6a]Si[5]H)(C[5]C[5]H)(H){1|H<1>,2|N<3>,3|C<3>}	C[5](Si[5]C[5]NN)(C[6a]C[6a]2)(C[5]C[5]H)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]Si[5]H)(C[5]C[5]H)(H){1|H<1>,2|N<3>,3|C<3>}	119.6190	0.598	2	119.6190	0.358	2	119.6190	0.358	2	113.1205	5.716	24	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:1:	4:3:2:	C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:O-2:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]H)(OSi)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)(H){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]H)(OSi){1|S<4>,2|H<1>,3|C<3>}	113.3230	0.000	1	113.3230	0.000	1	113.3230	0.000	1	113.2085	0.026	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:1:	4:3:2:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C-2:	C[5](C[5]C[6a]C[5]H)(C[5]C[5,5]C)(H)	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(CN)	C[5](C[5]C[6a]C[5]H)(C[5]C[5,5]C)(H){1|C<2>,5|C<3>}	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]C[5]H)(H){1|C<2>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(CN){1|C<2>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	113.0940	0.000	1	113.0940	0.000	1	113.0940	0.000	1	113.2085	0.026	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C-3:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]H)(COO)(H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]H)(CC[6a]O)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(H){4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]H)(COO)(H){1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]H)(CC[6a]O){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	111.9860	0.000	1	111.9860	0.000	1	111.9860	0.000	1	113.0708	2.650	17	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]C)(H)	C[5](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]H)(COO)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]C)(H){1|O<2>,5|C<3>}	C[5](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]H)(H){1|Cl<1>,1|H<1>,1|O<1>,7|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]H)(COO){1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	114.0780	0.000	1	114.0780	0.000	1	113.8035	0.053	4	113.0708	2.650	17	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]C)(H)	C[5](C[5,5]C[5,5]N[5]C)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(COO)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]C)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,5]C[5,5]N[5]C)(C[6a]C[6a]2)(C[5]C[5]H)(H){1|C<4>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(COO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	113.6505	0.190	2	113.6505	0.036	2	113.8035	0.053	4	113.0708	2.650	17	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]C)(H)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]H)(COO)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]C)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]H)(H){1|N<3>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]H)(COO){1|H<1>,2|C<4>,3|C<3>}	113.8350	0.000	1	113.8350	0.000	1	113.8035	0.053	4	113.0708	2.650	17	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]C)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(COO)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]C)(H){1|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]H)(H){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(COO){1|H<1>,5|C<3>}	113.3490	0.000	1	113.3490	0.000	1	112.8090	0.583	2	113.0708	2.650	17	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]C)(H)	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5]H)(COO)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]C)(H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]H)(H){1|N<3>,1|O<1>,4|C<3>,6|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]H)(COO){1|C<4>,1|H<1>,2|C<3>}	112.2690	0.000	1	112.2690	0.000	1	112.8090	0.583	2	113.0708	2.650	17	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]C[5])(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]C[5])(H){2|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]H)(H){1|Br<1>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]C[5]H){3|H<1>,5|C<3>}	113.8595	0.977	2	113.8595	0.954	2	113.7657	0.503	3	113.0708	2.650	17	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]C[5])(H)	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]C[5])(H){1|O<2>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]H)(H){1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]C[5]H){1|O<2>,3|H<1>,4|C<3>}	113.5780	0.000	1	113.5780	0.000	1	113.7657	0.503	3	113.0708	2.650	17	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(COO)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(CCP)	C[5](C[5]C[5]CH)(C[5]C[5]C)(H){1|C<3>,1|H<1>,2|C<2>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(COO)(H){2|C<2>,3|C<3>}	C[5](C[5]C[5]CC)(C[5]C[5]H)(CCP){2|C<3>,2|H<1>}	113.8435	0.709	2	113.8435	0.503	2	113.8435	0.503	2	113.0708	2.650	17	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5](C[5]C[6a]C[5]H)(C[5]C[5,5]C)(H)	C[5](C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(COO)	C[5](C[5]C[6a]C[5]H)(C[5]C[5,5]C)(H){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)(H){1|N<3>,3|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(COO){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	113.4920	0.000	1	113.1090	0.293	2	113.2438	0.692	4	113.0708	2.650	17	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5](C[5]C[6a]C[5]H)(C[5]C[5,5]C)(H)	C[5](C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(COO)	C[5](C[5]C[6a]C[5]H)(C[5]C[5,5]C)(H){1|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)(H){1|N<2>,2|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(COO){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	112.7260	0.000	1	113.1090	0.293	2	113.2438	0.692	4	113.0708	2.650	17	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5](C[5]C[6a]C[5]H)(C[5]C[5,5]C)(H)	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(COO)	C[5](C[5]C[6a]C[5]H)(C[5]C[5,5]C)(H){1|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(C[5]C[5]H)(H){2|H<1>,7|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(COO){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	113.3785	1.307	2	113.3785	1.709	2	113.2438	0.692	4	113.0708	2.650	17	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:1:	4:3:3:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]N[5]H)(C[5]C[5]C)(O)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]O)(N[5]C[5]2)(H)	C[5](C[5]C[5]CC)(C[5]C[5]O)(CCH)	C[5](C[5]C[5]N[5]H)(C[5]C[5]C)(O){2|C<3>,4|C<4>}	C[5](C[5]C[6a]C[5]C)(C[5]C[5]O)(N[5]C[5]2)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>,4|C<3>}	C[5](C[5]C[5]CC)(C[5]C[5]O)(CCH){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	107.4270	0.000	1	107.4270	0.000	1	107.4270	0.000	1	113.0708	2.650	17	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:2:	3:3:1:	C[5]-4:C[5]-3:O-1:	C[5,6]-4:C[5]-3:C-3:O-2:	C[5,6]-3:C[5]-3:H-1:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]H)(O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(COO)(OC)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(H)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]H)(O){3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(COO)(OC){2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(H){1|C<3>,1|O<2>,5|C<4>}	106.8065	0.105	2	106.8065	0.011	2	106.8065	0.011	2	106.8065	0.011	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:2:	3:3:3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:S[5]-2:	C[5a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5]S[5])(C[5]C[5a]C[5])(H)	C[5](C[5]C[6a]C[5]S[5])(C[6a]C[6a]2)(C[5]C[5]H)(S[5]C[5])	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]H)(C[5]S[5]O)	C[5](C[5]C[6a]C[5]S[5])(C[5]C[5a]C[5])(H){1|O<1>,1|S<2>,6|C<3>}	C[5](C[5]C[6a]C[5]S[5])(C[6a]C[6a]2)(C[5]C[5]H)(S[5]C[5]){1|O<1>,3|H<1>,7|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]H)(C[5]S[5]O){1|C<4>,1|S<2>,4|C<3>}	118.6570	0.372	2	118.6570	0.138	2	118.6570	0.138	2	113.0093	42.703	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:2:	3:3:3:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:C-3:O-2:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]CO)(C[5]C[5]C)(O)	C[5](C[5]C[5]CC)(C[5]C[5]O)(CCO)(OH)	C[5](C[5]C[5]O)2(CCO)	C[5](C[5]C[5]CO)(C[5]C[5]C)(O){1|O<1>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]O)(CCO)(OH){1|C<3>,1|O<1>}	C[5](C[5]C[5]O)2(CCO){1|C<3>,1|O<2>,2|C<4>}	106.9240	0.000	1	106.9240	0.000	1	106.9240	0.000	1	113.0093	42.703	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:2:	3:3:3:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[6a]-3:C[5]-3:O-2:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(O)	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]O)(OH)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(O){1|O<2>,6|C<3>}	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]O)(OH){2|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O){2|H<1>,2|O<2>,6|C<3>}	107.7990	0.000	1	107.7990	0.000	1	107.7990	0.000	1	113.0093	42.703	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:2:	3:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:O-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]CO)(C[5]C[5]C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCO)(OH)	C[5](C[5]C[5]H)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]CO)(C[5]C[5]C)(H){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCO)(OH){1|C<4>,1|O<1>}	C[5](C[5]C[5]H)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	114.5190	0.000	1	114.5190	0.000	1	114.5190	0.000	1	111.3690	19.845	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:2:	3:3:4:	C[5]-4:C[5]-3:O-1:	C[5,6]-4:C[5]-3:C-3:O-2:	C[5,6]-3:C[5]-3:C-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]C)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(COO)(OC)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]C)(O){1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(COO)(OC){2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CH3){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	108.2190	0.000	1	108.2190	0.000	1	108.2190	0.000	1	111.3690	19.845	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:2:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C-3:C-2:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5,5]CC)(C[5]C[5]C)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(COO)(CN)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(COO)	C[5](C[5]C[5,5]CC)(C[5]C[5]C)(H){1|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(COO)(CN){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(COO){1|C<2>,5|C<3>}	111.7580	0.000	1	111.7580	0.000	1	111.7580	0.000	1	111.7580	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:2:	4:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:O-2:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CO)(C[5]C[5]C)(H)	C[5](C[5]C[5]HN)(C[5]C[5]H)(COO)(OH)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]CO)(C[5]C[5]C)(H){1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]C[5]HN)(C[5]C[5]H)(COO)(OH){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(CH3){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	113.6830	0.000	1	113.6830	0.000	1	113.6830	0.000	1	113.6830	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:3:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(COO)2	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(COO)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|H<1>,3|C<3>}	111.8020	0.581	2	111.8020	0.338	2	111.9110	0.205	3	110.0962	6.288	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:3:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(COO)2	C[5](C[5]C[5]C[6])(C[5]C[5]H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(COO)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]C[6])(C[5]C[5]H)(H){1|H<1>,2|C<4>,3|C<3>}	112.1290	0.000	1	112.1290	0.000	1	111.9110	0.205	3	110.0962	6.288	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:3:	3:3:1:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]2C[5])(C[5]C[5]H)(O)	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)2(C[5]C[5]O)	C[5](C[5]C[5]H)(C[5]C[5]O)(H)	C[5](C[5]C[6a]2C[5])(C[5]C[5]H)(O){2|H<1>,5|C<3>}	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)2(C[5]C[5]O){6|C<3>,6|H<1>}	C[5](C[5]C[5]H)(C[5]C[5]O)(H){1|H<1>,3|C<3>}	107.3740	0.201	2	107.3740	0.040	2	107.3740	0.040	2	110.0962	6.288	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:3:	3:3:4:	C[5]-4:C[5]-3:O-1:	C[5,6]-4:C[6a]-3:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:C-4:	C[5](C[5]C[5,6]C[6a]2)(C[5]N[5]C)(O)	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)2(C[5]C[5]O)	C[5](N[5]C[5,6]O)(C[5]C[5]O)(CCHH)	C[5](C[5]C[5,6]C[6a]2)(C[5]N[5]C)(O){1|O<1>,2|C<4>,4|C<3>}	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)2(C[5]C[5]O){1|O<1>,2|C<4>,5|C<3>,8|H<1>}	C[5](N[5]C[5,6]O)(C[5]C[5]O)(CCHH){2|C<3>,2|C<4>}	108.1200	0.000	1	108.1200	0.000	1	108.2415	0.030	2	108.2415	0.030	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:3:	3:3:4:	C[5]-4:C[5]-3:O-1:	C[5,6]-4:C[6a]-3:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:C-4:	C[5](C[5]C[5,6]C[6a]2)(C[5]N[5]C)(O)	C[5](C[5,6]C[6]N[5]O[6])(C[6a]C[6a]2)2(C[5]C[5]O)	C[5](N[5]C[5,6]O)(C[5]C[5]O)(CCHH)	C[5](C[5]C[5,6]C[6a]2)(C[5]N[5]C)(O){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	C[5](C[5,6]C[6]N[5]O[6])(C[6a]C[6a]2)2(C[5]C[5]O){1|O<1>,2|C<4>,5|C<3>,6|H<1>}	C[5](N[5]C[5,6]O)(C[5]C[5]O)(CCHH){1|C<4>,1|O<2>,2|C<3>}	108.3630	0.000	1	108.3630	0.000	1	108.2415	0.030	2	108.2415	0.030	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:3:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C-3:C-3:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]CC)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(COO)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(COO)2{1|H<1>,1|O<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]H)(H){1|C<4>,2|H<1>,4|C<3>}	111.7000	0.000	1	111.7000	0.000	1	111.7000	0.000	1	111.4623	0.060	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:3:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:C-3:C-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]CC)(C[5]C[5]H)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(COO)2	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5]H)(H)	C[5](C[5]C[5,6]CC)(C[5]C[5]H)(H){1|H<1>,3|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(COO)2{3|C<3>,4|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5]H)(H){6|C<3>}	111.4760	0.000	1	111.4760	0.000	1	111.4760	0.000	1	111.4623	0.060	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:3:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:C-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]H)(H)	C[5](C[5]C[5]CO)(C[5]C[5]H)(CCH)(COO)	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(H){1|C<2>,1|C<3>,1|H<1>,1|O<2>}	C[5](C[5]C[5]CO)(C[5]C[5]H)(CCH)(COO){1|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(H){1|C<2>,1|O<2>,2|C<3>}	111.2110	0.000	1	111.2110	0.000	1	111.2110	0.000	1	111.4623	0.060	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:4:	3:2:3:	C[5]-4:C[5]-3:O-1:	C[6]-4:C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-2:C-3:	C[5](C[5]C[5]C[6]C)(C[5]N[5]C)(O)	C[5](C[6]C[6]O[6]H)(C[5]C[5]O)(C[5]N[5]C)(CH3)	C[5](C[5]C[5]O)(N[5]C[5])(CC[5a]H)	C[5](C[5]C[5]C[6]C)(C[5]N[5]C)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[6]C[6]O[6]H)(C[5]C[5]O)(C[5]N[5]C)(CH3){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]O)(N[5]C[5])(CC[5a]H){1|C<3>,2|C<4>}	106.3300	0.000	1	106.3300	0.000	1	106.3300	0.000	1	106.3300	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:4:	3:3:1:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:C-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]H)(O)	C[5](C[5]C[5]CO)(C[5]C[5]O)(CC[5]H)(CH3)	C[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(O){1|O<2>,2|C<4>}	C[5](C[5]C[5]CO)(C[5]C[5]O)(CC[5]H)(CH3){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(H){1|C<3>,1|O<2>,2|C<4>}	107.7477	0.114	3	107.7477	0.013	3	107.7477	0.013	3	107.7477	0.013	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:4:	3:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]2C)(C[5]C[5]C)(H)	C[5](C[5]C[5]2C)(C[5]C[5]C)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]2C)(C[5]C[5]C)(H){2|C<3>,3|C<4>}	C[5](C[5]C[5]2C)(C[5]C[5]C)(C[5]C[5]H)(CH3){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3){3|C<4>}	110.9760	0.000	2	110.9760	0.000	2	110.9760	0.000	2	111.2026	0.133	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:4:	3:3:4:	C[5]-4:C[5]-3:H-1:	Ga-4:C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]GaC)(C[5]C[5]C)(H)	C[5](GaO[5]Cl2)(C[5]C[5]C)(C[5]C[5]H)(CC3)	C[5](C[5]C[5]H)2(CC3)	C[5](C[5]C[5]GaC)(C[5]C[5]C)(H){1|C<4>,1|H<1>}	C[5](GaO[5]Cl2)(C[5]C[5]C)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)2(CC3){1|Ga<4>,2|C<4>}	111.6690	0.048	2	111.6690	0.002	2	111.6690	0.002	2	111.2026	0.133	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:4:	3:3:4:	C[5]-4:C[5]-3:H-1:	Ga[4]-4:C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(H)	C[5](Ga[4]Cl[4]2Cl)(C[5]C[5]C)(C[5]C[5]H)(CC3)	C[5](C[5]C[5]H)2(CC3)	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(H){1|Cl<1>,2|Cl<2>,1|C<4>,1|H<1>}	C[5](Ga[4]Cl[4]2Cl)(C[5]C[5]C)(C[5]C[5]H)(CC3){1|Ga<4>,1|C<4>,1|H<1>}	C[5](C[5]C[5]H)2(CC3){1|Ga<4>,2|C<4>}	111.1355	0.218	2	111.1355	0.048	2	111.0828	0.110	4	111.2026	0.133	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:3:4:	3:3:4:	C[5]-4:C[5]-3:H-1:	Ga[4]-4:C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(H)	C[5](Ga[4]I[4]2I)(C[5]C[5]C)(C[5]C[5]H)(CC3)	C[5](C[5]C[5]H)2(CC3)	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(H){1|C<4>,1|H<1>,1|I<1>,2|I<2>}	C[5](Ga[4]I[4]2I)(C[5]C[5]C)(C[5]C[5]H)(CC3){1|Ga<4>,1|C<4>,1|H<1>}	C[5](C[5]C[5]H)2(CC3){1|Ga<4>,2|C<4>}	111.0300	0.522	2	111.0300	0.272	2	111.0828	0.110	4	111.2026	0.133	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:1:	3:2:1:	C[5]-4:C[5]-3:C-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(C)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[5]HO)(H)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(C[5]O[5]O)(C){1|C<4>,1|H<1>}	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[5]HO)(H){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){2|C<4>,2|H<1>}	107.8270	0.000	1	107.8270	0.000	1	107.8270	0.000	1	107.8270	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]2C)(C[5]C[5]H)(CCCH)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(H){1|O<1>,2|C<4>}	C[5](C[5]C[5]2C)(C[5]C[5]H)(CCCH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5]H)(C[5]C[5]O)(H){1|H<1>,3|C<4>}	112.9960	0.400	2	112.9960	0.160	2	112.9387	0.571	7	110.2621	5.747	23	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(CCCH)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(H){1|O<1>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]H)(CCCH)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]H)(C[5]C[5]O)(H){1|H<1>,3|C<4>}	112.9158	0.903	5	112.9158	0.815	5	112.9387	0.571	7	110.2621	5.747	23	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]H)(H)	C[5](C[5]N[5]CH)(C[5]C[5]H)(CH3)(H)	C[5](C[5]C[5]H)(N[5]C[5]S)(H)	C[5](C[5]C[5]CH)(C[5]N[5]H)(H){1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]N[5]CH)(C[5]C[5]H)(CH3)(H){1|H<1>,1|S<4>}	C[5](C[5]C[5]H)(N[5]C[5]S)(H){1|C<3>,1|C<4>,2|H<1>}	111.5470	0.000	1	111.5470	0.000	1	111.5470	0.000	1	110.2621	5.747	23	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:N-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HN)(C[5]C[5]H)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(NCCH)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5]HN)(C[5]C[5]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(NCCH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5]H)(C[5]C[5]O)(H){1|C<3>,1|N<4>,2|H<1>}	112.0480	0.449	3	112.0480	0.202	3	112.0480	0.202	3	110.2621	5.747	23	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:1:	3:3:1:	C[5]-4:C[5]-3:O-1:	C[5,3x6]-4:C[5]-3:C-4:H-1:	C[5,6,6]-3:C[5]-3:H-1:	C[5](C[5]C[5,3x6]CH)(C[5]C[5,6,6]H)(O)	C[5](C[5,3x6]C[6,6,6a]C[5,6,6]C[6,6])(C[5]C[5]O)(CCHH)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]O)(H)	C[5](C[5]C[5,3x6]CH)(C[5]C[5,6,6]H)(O){1|C<4>,2|C<3>}	C[5](C[5,3x6]C[6,6,6a]C[5,6,6]C[6,6])(C[5]C[5]O)(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]O)(H){2|C<3>,2|C<4>,3|H<1>}	108.7115	0.069	2	108.7115	0.005	2	108.7115	0.005	2	110.2621	5.747	23	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:1:	3:3:1:	C[5]-4:C[5]-3:O-1:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[5,5]-3:C[5]-3:H-1:	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5]H)(O)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(CH3)(H)	C[5](C[5,5]C[5,5,6]C[5])(C[5]C[5]O)(H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5]H)(O){3|C<4>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(CH3)(H){3|C<4>,5|H<1>}	C[5](C[5,5]C[5,5,6]C[5])(C[5]C[5]O)(H){1|H<1>,6|C<4>}	108.2250	0.000	1	108.2250	0.000	1	108.2250	0.000	1	110.2621	5.747	23	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:1:	3:3:1:	C[5]-4:C[5]-3:O-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,5]-3:C[5]-3:H-1:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]H)(O)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(CCHH)(H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]O)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]H)(O){1|H<1>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(CCHH)(H){2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]O)(H){3|C<4>,4|H<1>}	108.9670	0.000	1	108.9670	0.000	1	108.9670	0.000	1	110.2621	5.747	23	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:1:	3:3:1:	C[5]-4:C[5]-3:O-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-3:C[5]-3:H-1:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCCH)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(O){3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCCH)(H){2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(H){2|H<1>,5|C<4>}	107.7350	0.000	1	107.7350	0.000	1	107.8300	0.210	3	110.2621	5.747	23	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:1:	3:3:1:	C[5]-4:C[5]-3:O-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-3:C[5]-3:H-1:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(O){1|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(H){1|H<1>,3|C<3>,3|C<4>}	107.4270	0.000	1	107.8775	0.406	2	107.8300	0.210	3	110.2621	5.747	23	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:1:	3:3:1:	C[5]-4:C[5]-3:O-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-3:C[5]-3:H-1:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(O){3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH)(H){2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(H){1|H<1>,6|C<4>}	108.3280	0.000	1	107.8775	0.406	2	107.8300	0.210	3	110.2621	5.747	23	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:1:	3:3:1:	C[5]-4:C[5]-3:O-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5,6]CH)(C[5]C[5]H)(O)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]O)(CH3)(H)	C[5](C[5]C[5,6]H)(C[5]C[5]O)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5]H)(O){1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]O)(CH3)(H){1|O<2>,3|C<4>,4|H<1>}	C[5](C[5]C[5,6]H)(C[5]C[5]O)(H){1|H<1>,3|C<4>}	106.6220	0.000	1	106.6220	0.000	1	106.6220	0.000	1	110.2621	5.747	23	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:1:	3:3:1:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]H)(O)	C[5](C[5]C[3]C[5]H)(C[5]C[5]O)(CH3)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(O){1|H<1>,2|C<4>}	C[5](C[5]C[3]C[5]H)(C[5]C[5]O)(CH3)(H){2|H<1>,3|C<4>}	C[5](C[5]C[5]C)(C[5]C[5]O)(H){2|C<4>,2|H<1>}	107.3030	0.000	1	107.3030	0.000	1	108.2597	1.043	4	110.2621	5.747	23	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:1:	3:3:1:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]H)(O)	C[5](C[5]C[5]HO)(C[5]C[5]O)(CH3)(H)	C[5](C[5]C[5]N)(C[5]C[5]O)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(O){1|H<1>,1|N<3>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]C[5]O)(CH3)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]N)(C[5]C[5]O)(H){1|C<4>,1|O<2>,2|H<1>}	109.5980	0.000	1	109.5980	0.000	1	108.2597	1.043	4	110.2621	5.747	23	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:1:	3:3:1:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]H)(O)	C[5](C[5]C[5]N[5]H)(C[5]C[5]O)(CCCH)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(O){1|N<4>,2|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]O)(CCCH)(H){2|C<4>,3|H<1>}	C[5](C[5]C[5]H)(C[5]C[5]O)(H){1|C<4>,1|N<4>,2|H<1>}	107.6500	0.000	1	107.6500	0.000	1	108.2597	1.043	4	110.2621	5.747	23	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:1:	3:3:1:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]H)(O)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]O)(CCHH)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(O){1|C<3>,1|C<4>,1|O<2>}	C[5](C[5]C[6a]C[5]O)(C[5]C[5]O)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	108.4880	0.000	1	108.4880	0.000	1	108.2597	1.043	4	110.2621	5.747	23	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:1:	3:3:2:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[5]CH)(C[5]C[5]O)(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(OH)	C[5](C[5]C[5]CH)(C[5]C[5]O)(O){1|H<1>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(H){1|C<4>,1|O<2>}	C[5](C[5]C[5]C)(C[5]C[5]O)(OH){2|C<4>,2|H<1>}	109.0400	0.000	1	109.0400	0.000	1	109.2965	0.132	2	109.2965	0.132	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:1:	3:3:2:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[5]CH)(C[5]C[5]O)(O)	C[5](C[5]C[5]CO)(C[5]C[5]O)(CH3)(H)	C[5](C[5]C[5]O)2(OH)	C[5](C[5]C[5]CH)(C[5]C[5]O)(O){1|C<3>,2|O<2>}	C[5](C[5]C[5]CO)(C[5]C[5]O)(CH3)(H){2|O<2>}	C[5](C[5]C[5]O)2(OH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	109.5530	0.000	1	109.5530	0.000	1	109.2965	0.132	2	109.2965	0.132	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:1:	3:3:3:	C[5]-4:C[5]-3:O-1:	C[5,5]-4:C[5]-3:C-4:H-1:	N[5,5]-3:C[5]-3:C-3:	C[5](C[5]C[5,5]CH)(C[5]N[5,5]C)(O)	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5]C[5]O)(CCHH)(H)	C[5](N[5,5]C[5,5]S[5])(C[5]C[5]O)(CC[6a]H)	C[5](C[5]C[5,5]CH)(C[5]N[5,5]C)(O){1|S<4>,2|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5]C[5]O)(CCHH)(H){1|S<4>,3|C<3>}	C[5](N[5,5]C[5,5]S[5])(C[5]C[5]O)(CC[6a]H){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	108.9570	0.000	1	108.9570	0.000	1	108.9570	0.000	1	108.9570	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:1:	3:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]CO)(C[5]C[5]H)(CHHN)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(CCHH)	C[5](C[5]C[5]CH)(C[5]C[5]C)(H){1|C<4>,1|O<1>,1|O<2>}	C[5](C[5]C[5]CO)(C[5]C[5]H)(CHHN)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]H)(C[5]C[5]O)(CCHH){1|H<1>,1|O<2>,2|C<4>}	113.4840	0.000	1	113.4840	0.000	1	113.6235	0.039	2	110.5593	5.187	7	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:1:	3:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]CO)(C[5]C[5]H)(CN[5]HH)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(CCHH)	C[5](C[5]C[5]CH)(C[5]C[5]C)(H){1|C<4>,1|O<1>,1|O<2>}	C[5](C[5]C[5]CO)(C[5]C[5]H)(CN[5]HH)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]H)(C[5]C[5]O)(CCHH){1|H<1>,1|O<2>,2|C<4>}	113.7630	0.000	1	113.7630	0.000	1	113.6235	0.039	2	110.5593	5.187	7	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:1:	3:3:4:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(O)	C[5](C[5]C[5]CO)(C[5]C[5]O)(CCHH)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]CH)(C[5]C[5]C)(O){1|C<3>,1|H<1>,1|O<2>}	C[5](C[5]C[5]CO)(C[5]C[5]O)(CCHH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	109.7340	0.000	1	109.7340	0.000	1	108.9905	0.813	4	110.5593	5.187	7	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:1:	3:3:4:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(O)	C[5](C[5]C[5]C[6]H)(C[5]C[5]O)(CCHH)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]CH)(C[5]C[5]C)(O){1|C<4>,2|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]O)(CCHH)(H){1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5]H)(C[5]C[5]O)(CH3){2|C<4>,2|H<1>}	108.7427	0.922	3	108.7427	0.851	3	108.9905	0.813	4	110.5593	5.187	7	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:1:	3:3:4:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:Si-4:H-1:	C[5]-3:C[5]-3:Si-4:	C[5](C[5]C[5]SiH)(C[5]C[5]Si)(O)	C[5](C[5]C[5]CO)(C[5]C[5]O)(SiC3)(H)	C[5](C[5]C[5]C[6])(C[5]C[5]O)(SiC3)	C[5](C[5]C[5]SiH)(C[5]C[5]Si)(O){1|O<2>,2|C<4>}	C[5](C[5]C[5]CO)(C[5]C[5]O)(SiC3)(H){1|Si<4>,1|C<4>}	C[5](C[5]C[5]C[6])(C[5]C[5]O)(SiC3){1|Cr<9>,1|Si<4>,1|H<1>,1|O<2>,3|C<4>}	110.7060	0.000	1	110.7060	0.000	1	110.7060	0.000	1	110.5593	5.187	7	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[4,5]-4:C[5]-3:C-4:H-1:	C[4,5]-4:C[5]-3:H-1:	C[5](C[5]C[4,5]CH)(C[5]C[4,5]H)(H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]H)(CCOY)(H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]H)(H)	C[5](C[5]C[4,5]CH)(C[5]C[4,5]H)(H){2|C<4>,2|H<1>}	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]H)(CCOY)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]H)(H){2|C<3>,2|C<4>,2|H<1>}	114.2340	0.434	2	114.2340	0.188	2	114.2340	0.188	2	113.1020	1.607	19	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[5,5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]H)(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(CCHH)(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]H)(H){2|C<4>,2|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(CCHH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(H){1|C<3>,3|C<4>,3|H<1>}	113.8150	0.000	1	113.8150	0.000	1	113.8150	0.000	1	113.1020	1.607	19	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(CCHH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]H)(H){2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(CCHH)(H){2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H){3|C<4>,4|H<1>}	112.5545	0.228	2	112.5545	0.052	2	113.7823	4.199	4	113.1020	1.607	19	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]H)(CHHO)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]H)(H){1|C<4>,1|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]H)(CHHO)(H){2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H){2|C<4>,2|O<2>,3|H<1>}	116.8150	0.000	1	116.8150	0.000	1	113.7823	4.199	4	113.1020	1.607	19	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(CCCH)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]H)(H){1|C<3>,1|N<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(CCCH)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]H)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	113.2050	0.000	1	113.2050	0.000	1	113.7823	4.199	4	113.1020	1.607	19	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]H)(CHHO)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(H){1|C<4>,1|H<1>,2|O<2>}	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]H)(CHHO)(H){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H){2|C<4>,2|O<2>,3|H<1>}	112.0490	0.000	1	112.0490	0.000	1	112.0490	0.000	1	113.1020	1.607	19	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:S-4:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]HS)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]H)(SC[6a]OO)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)	C[5](C[5]C[5,6]HS)(C[5]C[5,6]H)(H){1|C<4>,1|H<1>,2|O<2>}	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]H)(SC[6a]OO)(H){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H){1|C<4>,1|S<4>,2|O<2>,3|H<1>}	112.0440	0.000	1	112.0440	0.000	1	112.0440	0.000	1	113.1020	1.607	19	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCl2H)(H)	C[5](C[5]Si[5]C[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(H){1|Si<4>,1|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCl2H)(H){1|Si<4>,2|H<1>}	C[5](C[5]Si[5]C[5]H)(C[5]C[5]H)(H){2|C<3>,2|H<1>,3|C<4>}	113.1100	0.000	1	113.1100	0.000	1	112.8750	1.087	7	113.1020	1.607	19	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CHHO)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(CHHO)(H){3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H){1|C<3>,1|C<4>,2|H<1>}	112.1740	0.000	1	112.1740	0.000	1	112.8750	1.087	7	113.1020	1.607	19	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]FF)(C[5]C[5]H)(CCHO)(H)	C[5](C[5]C[5]HO)(C[5]C[5]H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(H){1|H<1>,1|O<2>,2|F<1>}	C[5](C[5]C[5]FF)(C[5]C[5]H)(CCHO)(H){1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]C[5]H)(H){1|C<4>,1|H<1>,2|F<1>}	113.6980	0.000	1	113.6980	0.000	1	112.8750	1.087	7	113.1020	1.607	19	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHN)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHN)(H){3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H){1|C<4>,3|H<1>}	112.1570	0.000	1	112.1570	0.000	1	112.8750	1.087	7	113.1020	1.607	19	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HN)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HN)(H){3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H){1|C<4>,3|H<1>}	111.2390	0.000	1	111.2390	0.000	1	112.8750	1.087	7	113.1020	1.607	19	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CHHO)(H)	C[5](C[5]N[5a]C[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(H){1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(CHHO)(H){1|N<3>,2|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>}	113.6350	0.000	1	113.6350	0.000	1	112.8750	1.087	7	113.1020	1.607	19	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]OO)(C[5]C[5]H)(CCHH)(H)	C[5](C[5]C[5]HS)(C[5]C[5]H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(H){1|H<1>,1|S<4>,2|O<2>}	C[5](C[5]C[5]OO)(C[5]C[5]H)(CCHH)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]HS)(C[5]C[5]H)(H){1|C<4>,1|H<1>,2|O<2>}	114.1120	0.000	1	114.1120	0.000	1	112.8750	1.087	7	113.1020	1.607	19	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:S-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HS)(C[5]C[5]H)(H)	C[5](C[5]C[5]OO)(C[5]C[5]H)(SC[6a]OO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]HS)(C[5]C[5]H)(H){1|C<4>,1|H<1>,2|O<2>}	C[5](C[5]C[5]OO)(C[5]C[5]H)(SC[6a]OO)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(H){1|H<1>,1|S<4>,2|O<2>}	111.9350	0.000	1	111.9350	0.000	1	111.9350	0.000	1	113.1020	1.607	19	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	N[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]N[5]CH)(C[5]C[5]H)(H)	C[5](N[5]C[5]HH)(C[5]C[5]H)(CHHO)(H)	C[5](C[5]N[5]CH)(C[5]C[5]H)(H)	C[5](C[5]N[5]CH)(C[5]C[5]H)(H){1|C<4>,3|H<1>}	C[5](N[5]C[5]HH)(C[5]C[5]H)(CHHO)(H){1|C<4>,2|H<1>}	C[5](C[5]N[5]CH)(C[5]C[5]H)(H){1|C<4>,3|H<1>}	112.6865	0.631	2	112.6865	0.399	2	112.6865	0.399	2	113.1020	1.607	19	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:1:	4:3:2:	C[5]-4:C[5]-3:Cl-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:C[5]-3:O-2:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]O)(Cl)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]Cl)(CH3)(H)	C[5](C[5,5]C[5,5]C[5]Cl)(C[5]C[5]Cl)(OC)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]O)(Cl){1|Cl<1>,1|H<1>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]Cl)(CH3)(H){1|Cl<1>,2|O<2>,3|C<4>}	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>}	114.3020	0.000	1	114.3020	0.000	1	114.3020	0.000	1	114.3020	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(CCCH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(COO)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(CCCH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(COO){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	113.2240	0.000	1	113.2240	0.000	1	113.1820	0.004	2	112.3599	2.996	13	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(H)	C[5](C[5,5]C[5,5]C[5]S)(C[5]C[5]H)(CH3)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(COO)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(H){1|C<3>,1|C<4>,1|H<1>,1|S<3>}	C[5](C[5,5]C[5,5]C[5]S)(C[5]C[5]H)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(COO){1|C<3>,1|C<4>,1|S<3>,2|H<1>,2|O<2>}	113.1400	0.000	1	113.1400	0.000	1	113.1820	0.004	2	112.3599	2.996	13	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:C[5]-3:N-3:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]N)(H)	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]C[5]H)(CH3)(H)	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]C[5]H)(NCC)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]N)(H){1|Zr<12>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]C[5]H)(CH3)(H){1|H<1>,1|N<3>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]C[5]H)(NCC){2|H<1>,3|C<4>}	114.1540	0.000	1	114.1540	0.000	1	114.1540	0.000	1	112.3599	2.996	13	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5,5]CH)(C[5]C[5]C)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(CCHH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(COO)	C[5](C[5]C[5,5]CH)(C[5]C[5]C)(H){1|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(COO){1|C<4>,1|H<1>,4|C<3>}	112.9115	0.326	2	112.9115	0.106	2	113.0440	0.150	6	112.3599	2.996	13	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5,5]CH)(C[5]C[5]C)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(CC[6a]HH)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5]H)(COO)	C[5](C[5]C[5,5]CH)(C[5]C[5]C)(H){1|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(CC[6a]HH)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[5,5]CH)(C[5]C[5]H)(COO){1|C<4>,1|H<1>,2|C<3>}	112.9380	0.000	1	112.9380	0.000	1	113.0440	0.150	6	112.3599	2.996	13	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5,5]CH)(C[5]C[5]C)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(CH3)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5]H)(COO)	C[5](C[5]C[5,5]CH)(C[5]C[5]C)(H){1|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(CH3)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[5,5]CH)(C[5]C[5]H)(COO){1|C<4>,1|H<1>,2|C<3>}	112.8800	0.238	2	112.8800	0.056	2	113.0440	0.150	6	112.3599	2.996	13	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5,5]CH)(C[5]C[5]C)(H)	C[5](C[5,5]C[5]2S[5])(C[5]C[5]H)(CC[6a]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(COO)	C[5](C[5]C[5,5]CH)(C[5]C[5]C)(H){1|H<1>,1|S<2>,2|C<3>}	C[5](C[5,5]C[5]2S[5])(C[5]C[5]H)(CC[6a]HH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(COO){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	113.7430	0.000	1	113.7430	0.000	1	113.0440	0.150	6	112.3599	2.996	13	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]P)(C[5]C[5]H)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(COO)	C[5](C[5]C[5]CH)(C[5]C[5]C)(H){1|C<3>,1|P<4>,2|H<1>}	C[5](C[5]C[6a]C[5]P)(C[5]C[5]H)(CH3)(H){2|H<1>,3|C<3>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(COO){1|C<3>,1|C<4>,1|H<1>,1|P<4>}	112.3145	0.059	2	112.3145	0.003	2	112.3145	0.003	2	112.3599	2.996	13	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:1:	4:3:3:	C[5]-4:C[5]-3:O-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5,5]CH)(C[5]C[5]C)(O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CH3)(H)	C[5](C[5]C[5,5]CC)(C[5]C[5]O)(CC[6a]H)	C[5](C[5]C[5,5]CH)(C[5]C[5]C)(O){2|C<2>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CH3)(H){1|N<3>,1|O<1>,2|C<2>,3|C<3>}	C[5](C[5]C[5,5]CC)(C[5]C[5]O)(CC[6a]H){1|C<4>,1|H<1>,2|C<3>}	108.4910	0.000	1	108.4910	0.000	1	108.4910	0.000	1	112.3599	2.996	13	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:1:	4:3:3:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]CH)(C[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6]HH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(O){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6]HH)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]H){1|C<4>,3|H<1>}	108.7770	0.000	1	108.7770	0.000	1	108.7770	0.000	1	112.3599	2.996	13	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:1:	4:3:4:	C[5]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[5,5,6]-4:C[5]-3:C-4:	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]C)(H)	C[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5]C[5]H)(CCCH)(H)	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5]H)(CH3)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]C)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5]C[5]H)(CCCH)(H){2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5]H)(CH3){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	114.3430	0.000	1	114.3430	0.000	1	114.3430	0.000	1	114.6470	6.118	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:1:	4:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]2C)(C[5]C[5]H)(CCHH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]CH)(C[5]C[5]C)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]2C)(C[5]C[5]H)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(CH3){1|H<1>,3|C<4>}	113.5400	0.000	1	113.5400	0.000	1	113.3010	0.045	3	114.6470	6.118	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:1:	4:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CClHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CHHN)	C[5](C[5]C[5]CH)(C[5]C[5]C)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(CClHH)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(CHHN){2|C<4>,2|H<1>}	113.1815	0.067	2	113.1815	0.005	2	113.3010	0.045	3	114.6470	6.118	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:1:	4:3:4:	C[5]-4:C[5]-3:H-1:	P[5]-4:C[5]-3:B-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]P[5]BH)(C[5]C[5]C)(H)	C[5](P[5]C[6a]2C[5])(C[5]C[5]H)(BC[6a]2C)(H)	C[5](C[5]P[5]HH)(C[5]C[5]H)(CH3)	C[5](C[5]P[5]BH)(C[5]C[5]C)(H){2|C<3>,2|H<1>}	C[5](P[5]C[6a]2C[5])(C[5]C[5]H)(BC[6a]2C)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]P[5]HH)(C[5]C[5]H)(CH3){1|B<4>,1|H<1>,2|C<3>}	118.9890	0.000	1	118.9890	0.000	1	118.9890	0.000	1	114.6470	6.118	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:2:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]C[5]CO)(C[5]C[5]Br)(H)	C[5](C[5]C[5]2C)(C[5]C[5]H)(CCCH)(OH)	C[5](C[5]C[5]H)(C[5]C[5]O)(Br)	C[5](C[5]C[5]CO)(C[5]C[5]Br)(H){1|O<1>,2|C<4>}	C[5](C[5]C[5]2C)(C[5]C[5]H)(CCCH)(OH){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]H)(C[5]C[5]O)(Br){1|O<2>,3|C<4>}	110.2090	0.000	1	110.2090	0.000	1	110.2090	0.000	1	108.4903	2.263	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:2:	3:3:1:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]CO)(C[5]C[5]H)(O)	C[5](C[5]C[5]HO)(C[5]C[5]O)(CCHO)(OH)	C[5](C[5]C[5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5]CO)(C[5]C[5]H)(O){1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]C[5]O)(CCHO)(OH){2|H<1>}	C[5](C[5]C[5]H)(C[5]C[5]O)(H){1|C<4>,1|H<1>,2|O<2>}	107.6310	0.310	2	107.6310	0.096	2	107.6310	0.096	2	108.4903	2.263	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:2:	3:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]CO)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHH)(OH)	C[5](C[5]C[5]H)(C[5]C[5]O)(CCCH)	C[5](C[5]C[5]CO)(C[5]C[5]C)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHH)(OH){1|C<4>,1|O<1>}	C[5](C[5]C[5]H)(C[5]C[5]O)(CCCH){1|C<4>,1|O<2>,2|H<1>}	114.1840	0.000	2	114.1840	0.000	2	114.1840	0.000	2	109.9490	11.056	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:2:	3:3:4:	C[5]-4:C[5]-3:O-1:	C[5,6]-4:C[5]-3:C-4:O-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5,6]CO)(C[5]C[5]C)(O)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3)(OH)	C[5](C[5]C[5,6]H)(C[5]C[5]O)(CCHH)	C[5](C[5]C[5,6]CO)(C[5]C[5]C)(O){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3)(OH){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]H)(C[5]C[5]O)(CCHH){1|C<3>,1|O<2>,2|C<4>}	108.5630	0.000	1	108.5630	0.000	1	108.5630	0.000	1	109.9490	11.056	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:2:	3:3:4:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]CO)(C[5]C[5]C)(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)(OH)	C[5](C[5]C[5]H)(C[5]C[5]O)(CCHH)	C[5](C[5]C[5]CO)(C[5]C[5]C)(O){1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)(OH){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(C[5]C[5]O)(CCHH){1|H<1>,1|O<2>,2|C<4>}	107.7785	0.736	2	107.7785	0.542	2	107.5877	0.380	3	109.9490	11.056	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:2:	3:3:4:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]CO)(C[5]C[5]C)(O)	C[5](C[5]C[5]C[6]H)(C[5]C[5]O)(CCHH)(OH)	C[5](C[5]C[5]H)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]CO)(C[5]C[5]C)(O){1|C<4>,2|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]O)(CCHH)(OH){1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5]H)(C[5]C[5]O)(CH3){1|H<1>,1|O<2>,2|C<4>}	107.2060	0.000	1	107.2060	0.000	1	107.5877	0.380	3	109.9490	11.056	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:2:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:O-2:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(CC[6a]HH)(OH)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]H)(H){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(CC[6a]HH)(OH){3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	111.6490	0.000	1	111.6490	0.000	1	111.6490	0.000	1	112.1912	0.170	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:2:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CO)(C[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HO)(OC)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5]CO)(C[5]C[5]H)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HO)(OC){3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H){1|C<4>,1|O<2>,2|H<1>}	112.2705	0.238	2	112.2705	0.057	2	112.2705	0.057	2	112.1912	0.170	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:2:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:Si-4:O-2:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]SiO)(C[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(SiC3)(OH)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5]SiO)(C[5]C[5]H)(H){1|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(SiC3)(OH){2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H){1|Si<4>,1|C<3>,1|H<1>,1|O<2>}	112.5750	0.000	1	112.5750	0.000	1	112.5750	0.000	1	112.1912	0.170	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:3:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(CC[6a]HH)(COO)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(H){1|H<1>,2|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(CC[6a]HH)(COO){1|H<1>,3|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	113.0710	0.000	2	113.0710	0.000	2	113.0710	0.000	2	113.0710	0.000	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:3:	3:3:2:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[5]CC)(C[5]C[5]O)(O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(COO)	C[5](C[5]C[5]C)(C[5]C[5]O)(OC)	C[5](C[5]C[5]CC)(C[5]C[5]O)(O){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(COO){1|C<4>,1|O<2>,2|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]O)(OC){1|C<4>,1|H<1>,2|C<3>}	106.7280	0.000	1	106.7280	0.000	1	106.7280	0.000	1	106.7280	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:3:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:C-3:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]CC)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]H)(CH3)(COO)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)	C[5](C[5]C[5,6]CC)(C[5]C[5,6]H)(H){1|C<4>,1|H<1>,2|O<2>}	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]H)(CH3)(COO){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	112.3540	0.000	1	112.3540	0.000	1	112.3540	0.000	1	112.3540	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:3:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHH)(COO)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(CC[6a]O)	C[5](C[5]C[5]CC)(C[5]C[5]C)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHH)(COO){1|H<1>,2|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(CC[6a]O){1|C<4>,2|H<1>,3|C<3>}	113.8090	0.000	1	113.8090	0.000	1	113.8090	0.000	1	113.8090	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:3:	4:3:4:	C[5]-4:C[5]-3:H-1:	C[3,5]-4:C[5]-3:C-4:C-3:	C[3,5]-4:C[5]-3:C-4:	C[5](C[5]C[3,5]CC)(C[5]C[3,5]C)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]H)(CH3)(COO)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]H)(CH3)	C[5](C[5]C[3,5]CC)(C[5]C[3,5]C)(H){1|C<4>,2|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]H)(CH3)(COO){1|C<3>,1|C<4>,2|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]H)(CH3){1|C<4>,2|C<3>,2|H<1>}	112.9700	0.000	1	112.9700	0.000	1	112.9700	0.000	1	113.4866	0.372	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:3:	4:3:4:	C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C-4:C-3:	C[5,5]-4:C[5]-3:C-4:	C[5](C[5]C[5,5]CC)(C[5]C[5,5]C)(H)	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]H)(CCCH)(CCO)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(CH3)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]C)(H){1|C<4>,1|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]H)(CCCH)(CCO){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(CH3){1|C<3>,1|O<2>,3|C<4>}	112.7450	0.000	1	112.7450	0.000	1	112.7450	0.000	1	113.4866	0.372	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:3:	4:3:4:	C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C-4:C-3:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5,5]CC)(C[5]C[5]C)(H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(CCCH)(CCO)	C[5](C[5]C[5,5]HO)(C[5]C[5]H)(CH3)	C[5](C[5]C[5,5]CC)(C[5]C[5]C)(H){1|C<4>,1|H<1>,2|O<2>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(CCCH)(CCO){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[5,5]HO)(C[5]C[5]H)(CH3){1|C<3>,1|O<2>,2|C<4>}	114.2130	0.000	1	114.2130	0.000	1	114.2130	0.000	1	113.4866	0.372	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:3:	4:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[5]CO)(C[5]C[5]H)(CCCH)(CCO)	C[5](C[5]C[5]HO)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]CC)(C[5]C[5]C)(H){1|C<4>,1|H<1>,2|O<2>}	C[5](C[5]C[5]CO)(C[5]C[5]H)(CCCH)(CCO){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]C[5]H)(CH3){1|C<3>,1|O<2>,2|C<4>}	113.7525	0.059	2	113.7525	0.003	2	113.7525	0.003	2	113.4866	0.372	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:4:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5,6]CC)(C[5]C[5]H)(H)	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]H)(CH3)2	C[5](C[5]C[5,6]O)(C[5]C[5]H)(H)	C[5](C[5]C[5,6]CC)(C[5]C[5]H)(H){1|C<4>,1|O<1>,1|O<2>}	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]H)(CH3)2{1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]O)(C[5]C[5]H)(H){1|O<2>,3|C<4>}	114.8400	0.000	1	114.8400	0.000	1	114.8400	0.000	1	108.4285	4.610	12	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:4:	3:3:1:	C[5]-4:C[5]-3:O-1:	C[5,5]-4:C[5]-3:C-4:C-4:	C[5,5]-3:C[5]-3:Cl-1:	C[5](C[5]C[5,5]CC)(C[5]C[5,5]Cl)(O)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(CH3)2	C[5](C[5,5]C[5,5]2)(C[5]C[5]O)(Cl)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]Cl)(O){1|H<1>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(CH3)2{1|Cl<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]2)(C[5]C[5]O)(Cl){1|H<1>,6|C<4>}	107.9440	0.000	1	107.9440	0.000	1	107.9440	0.000	1	108.4285	4.610	12	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:4:	3:3:1:	C[5]-4:C[5]-3:O-1:	C[5,6]-4:C[5]-3:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5,6]CC)(C[5]C[5]H)(O)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3)2	C[5](C[5]C[5,6]H)(C[5]C[5]O)(H)	C[5](C[5]C[5,6]CC)(C[5]C[5]H)(O){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]H)(C[5]C[5]O)(H){1|C<3>,3|C<4>}	107.7080	0.000	1	107.7080	0.000	1	107.7080	0.000	1	108.4285	4.610	12	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:4:	3:3:1:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]H)(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(CH3)	C[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(O){1|H<1>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(CH3){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(H){1|H<1>,3|C<4>}	108.6360	0.000	1	108.6360	0.000	1	107.8500	0.730	9	108.4285	4.610	12	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:4:	3:3:1:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]H)(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(CHHO)	C[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(O){1|H<1>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(CHHO){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(H){1|H<1>,3|C<4>}	108.7610	0.000	1	108.7610	0.000	1	107.8500	0.730	9	108.4285	4.610	12	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:4:	3:3:1:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]H)(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[3]HH)(CH3)	C[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(O){1|H<1>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[3]HH)(CH3){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(H){1|H<1>,3|C<4>}	108.5360	0.000	1	108.5360	0.000	1	107.8500	0.730	9	108.4285	4.610	12	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:4:	3:3:1:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]H)(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HH)(CH3)	C[5](C[5]C[5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(O){1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HH)(CH3){2|H<1>}	C[5](C[5]C[5]H)(C[5]C[5]O)(H){1|H<1>,3|C<4>}	106.7690	0.000	1	106.7690	0.000	1	107.8500	0.730	9	108.4285	4.610	12	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:4:	3:3:1:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]H)(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HO)(CH3)	C[5](C[5]C[5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(O){1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HO)(CH3){2|H<1>}	C[5](C[5]C[5]H)(C[5]C[5]O)(H){1|H<1>,3|C<4>}	107.2480	0.166	4	107.2480	0.027	4	107.8500	0.730	9	108.4285	4.610	12	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:4:	3:3:1:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]H)(O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)2	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(O){1|H<1>,2|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)2{1|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(H){1|H<1>,2|C<4>,3|C<3>}	108.9560	0.000	1	108.9560	0.000	1	107.8500	0.730	9	108.4285	4.610	12	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:4:	3:3:2:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[5]CC)(C[5]C[5]O)(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(CH3)	C[5](C[5]C[5]C)(C[5]C[5]O)(OH)	C[5](C[5]C[5]CC)(C[5]C[5]O)(O){1|H<1>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(CH3){1|C<4>,1|O<2>}	C[5](C[5]C[5]C)(C[5]C[5]O)(OH){1|H<1>,3|C<4>}	108.5670	0.000	1	108.5670	0.000	1	108.5670	0.000	1	108.5670	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:4:	3:3:3:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]CC)(C[5]C[5]C)(O)	C[5](C[5]C[5]CO)(C[5]C[5]O)(CH3)2	C[5](C[5]C[5]O)2(CCO)	C[5](C[5]C[5]CC)(C[5]C[5]C)(O){1|C<3>,1|O<1>,1|O<2>}	C[5](C[5]C[5]CO)(C[5]C[5]O)(CH3)2{1|C<3>,1|O<1>}	C[5](C[5]C[5]O)2(CCO){1|C<3>,1|O<2>,2|C<4>}	110.0490	0.000	1	110.0490	0.000	1	110.0490	0.000	1	110.0490	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:4:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HO)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HO)(CH3){3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H){2|C<4>,2|H<1>}	113.8640	0.000	1	113.8640	0.000	1	113.2303	0.781	3	113.2303	0.781	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:4:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HO)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HO)2{3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H){2|C<4>,2|H<1>}	112.9135	0.979	2	112.9135	0.959	2	113.2303	0.781	3	113.2303	0.781	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:4:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C-4:C-4:	C[5,5]-4:C[5]-3:C-3:	C[5](C[5]C[5,5]CC)(C[5]C[5,5]C)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(CH3)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(CCO)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]C)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(CCO){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	114.4070	0.000	1	114.4070	0.000	1	114.4070	0.000	1	113.6953	0.664	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:4:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C-4:C-4:	C[5,5]-4:C[5]-3:N-3:	C[5](C[5]C[5,5]CC)(C[5]C[5,5]N)(H)	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]C[5]H)(CH3)2	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]C[5]H)(NCC)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]N)(H){1|Zr<12>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]C[5]H)(CH3)2{1|H<1>,1|N<3>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]C[5]H)(NCC){1|H<1>,4|C<4>}	113.8605	0.586	2	113.8605	0.344	2	113.8605	0.344	2	113.6953	0.664	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:4:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CH3)2	C[5](C[5]C[5]CH)(C[5]C[5]H)(CNO)	C[5](C[5]C[5]CC)(C[5]C[5]C)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(CNO){2|C<4>,2|H<1>}	112.6530	0.000	1	112.6530	0.000	1	112.6530	0.000	1	113.6953	0.664	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:3:4:4:	4:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHH)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]CH)	C[5](C[5]C[5]CC)(C[5]C[5]C)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHH)2{1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]CH){2|C<4>,2|H<1>}	114.1530	0.000	1	114.1530	0.000	1	114.1530	0.000	1	114.1530	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:4:3:1:	3:2:1:	C[5]-4:C[5]-3:C-1:	C[5]-4:C-4:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(C)	C[5](C[5]O[5]CH)(CC[5,6]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(C[5]O[5]O)(C){1|C<4>,1|H<1>}	C[5](C[5]O[5]CH)(CC[5,6]HH)(C[5]C[5]C)(H){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){2|C<4>,2|H<1>}	105.7620	0.000	1	105.7620	0.000	1	105.7620	0.000	1	105.7620	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:4:3:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:N[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[5]CH)(N[5]C[5]2H)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(H){1|O<1>,2|H<1>,3|C<4>}	C[5](C[5]C[5]CH)(N[5]C[5]2H)(C[5]C[5]H)(H){1|O<1>,2|C<4>,5|H<1>}	C[5](C[5]C[5]H)(C[5]C[5]O)(H){1|C<4>,1|N<4>,2|H<1>}	112.3670	0.000	1	112.3670	0.000	1	112.2690	0.019	2	110.3413	7.797	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:4:3:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:N[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[5]C[6]H)(N[5]C[5]2H)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5]C[6]H)(N[5]C[5]2H)(C[5]C[5]H)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5]H)(C[5]C[5]O)(H){1|C<3>,1|N<4>,2|H<1>}	112.1710	0.000	1	112.1710	0.000	1	112.2690	0.019	2	110.3413	7.797	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:4:3:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:N[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]N[6]H)(C[5]C[5]H)(H)	C[5](C[5]C[5]C[6]H)(N[6]C[6]2H)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5]N[6]H)(C[5]C[5]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5]C[6]H)(N[6]C[6]2H)(C[5]C[5]H)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[5](C[5]C[5]H)(C[5]C[5]O)(H){1|C<3>,1|N<4>,2|H<1>}	111.4360	0.000	1	111.9800	0.592	2	111.9800	0.592	2	110.3413	7.797	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:4:3:1:	3:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:N[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]N[6]H)(C[5]C[5]H)(H)	C[5](C[5]C[5]C[6]H)(N[6]C[6]2H)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5]N[6]H)(C[5]C[5]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5]C[6]H)(N[6]C[6]2H)(C[5]C[5]H)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5]H)(C[5]C[5]O)(H){1|C<3>,1|N<4>,2|H<1>}	112.5240	0.000	1	111.9800	0.592	2	111.9800	0.592	2	110.3413	7.797	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:4:3:1:	3:3:1:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(O)	C[5](C[5]C[5]HN)(C[6]C[6]2H)(C[5]C[5]O)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(O){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HN)(C[6]C[6]2H)(C[5]C[5]O)(H){2|H<1>,2|N<3>,2|O<1>}	C[5](C[5]C[5]H)(C[5]C[5]O)(H){1|C<4>,1|N<3>,2|H<1>}	107.0320	0.000	1	106.7750	0.132	2	106.7750	0.132	2	110.3413	7.797	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:4:3:1:	3:3:1:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(O)	C[5](C[5]C[5]HN)(C[6]C[6]2H)(C[5]C[5]O)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(O){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HN)(C[6]C[6]2H)(C[5]C[5]O)(H){2|H<1>,2|O<1>,2|O<2>}	C[5](C[5]C[5]H)(C[5]C[5]O)(H){1|C<4>,1|N<3>,2|H<1>}	106.5180	0.000	1	106.7750	0.132	2	106.7750	0.132	2	110.3413	7.797	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5]-4:C[5]-3:H-1:	C[5]-4:P[5]-4:C[5]-3:H-1:	P[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5]P[5]H)(C[5]C[6a]P[5])(H)	C[5](C[5]C[6a]P[5]H)(P[5]C[6a]C[5]2)(C[5]C[5]H)(H)	C[5](P[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[5]P[5]H)(C[5]C[6a]P[5])(H){1|H<1>,7|C<3>}	C[5](C[5]C[6a]P[5]H)(P[5]C[6a]C[5]2)(C[5]C[5]H)(H){10|C<3>}	C[5](P[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H){1|P<4>,4|H<1>,5|C<3>}	117.6860	0.000	1	117.6860	0.000	1	117.6860	0.000	1	117.6860	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C[6]H)(C[5]C[5]C)(H)	C[5](C[5]C[5]CH)(C[6]C[6]2O)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]C[6]H)(C[5]C[5]C)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5]CH)(C[6]C[6]2O)(C[5]C[5]H)(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[5](C[5]C[5]H)(C[5]C[5]O)(CH3){2|C<4>,2|H<1>}	114.4803	0.633	3	114.4803	0.401	3	114.4803	0.401	3	114.5300	0.277	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5]-4:C[5]-3:H-1:	C[6]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C[6]H)(C[5]C[5]C)(H)	C[5](C[6]C[5,6]C[6]O)(C[5]C[5]CO)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]C[6]H)(C[5]C[5]C)(H){1|O<1>,2|O<2>,3|C<4>}	C[5](C[6]C[5,6]C[6]O)(C[5]C[5]CO)(C[5]C[5]H)(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[5](C[5]C[5]H)(C[5]C[5]O)(CH3){1|H<1>,1|O<2>,2|C<4>}	114.6790	0.000	1	114.6790	0.000	1	114.6790	0.000	1	114.5300	0.277	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:4:3:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[4]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[4]C[5]H)(C[5]C[5]H)(H)	C[5](C[4]C[4]N[4]H)(C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5]HN)(C[5]C[5]H)(H)	C[5](C[5]C[4]C[5]H)(C[5]C[5]H)(H){1|C<4>,2|N<3>,4|H<1>}	C[5](C[4]C[4]N[4]H)(C[5]C[5]HH)(C[5]C[5]H)(H){1|C<3>,1|N<3>,5|H<1>}	C[5](C[5]C[5]HN)(C[5]C[5]H)(H){1|C<4>,3|H<1>}	112.2270	0.000	1	112.2270	0.000	1	112.2270	0.000	1	112.4810	1.048	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:4:3:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]C[5,5]C[5]N)(C[5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]C[5]H)(H)	C[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]H)(H){1|Zr<12>,1|N<3>,4|C<4>}	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]C[5,5]C[5]N)(C[5]C[5]H)(H){3|H<1>,6|C<4>}	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]C[5]H)(H){1|H<1>,1|N<3>,3|C<4>}	112.2570	0.000	1	112.2570	0.000	1	112.2570	0.000	1	112.4810	1.048	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:4:3:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(H)	C[5](C[5]C[5]CO)(C[6]C[6]2O)(C[5]C[5]H)(H)	C[5](C[5]C[5]HO)(C[5]C[5]H)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(H){1|H<1>,3|C<4>,3|O<2>}	C[5](C[5]C[5]CO)(C[6]C[6]2O)(C[5]C[5]H)(H){1|O<2>,4|C<4>,4|H<1>}	C[5](C[5]C[5]HO)(C[5]C[5]H)(H){1|H<1>,1|O<2>,2|C<4>}	111.8255	0.132	2	111.8255	0.017	2	111.8255	0.017	2	112.4810	1.048	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:4:3:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	Si[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]Si[5]C[5]H)(C[5]C[5]H)(H)	C[5](Si[5]C[6a]C[5]2)(C[5]C[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)	C[5](C[5]Si[5]C[5]H)(C[5]C[5]H)(H){2|C<3>,2|H<1>,3|C<4>}	C[5](Si[5]C[6a]C[5]2)(C[5]C[5]CH)(C[5]C[5]H)(H){2|C<3>,3|C<4>,6|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(H){1|Si<4>,1|C<3>,2|H<1>}	114.2700	0.000	1	114.2700	0.000	1	114.2700	0.000	1	112.4810	1.048	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:4:3:1:	4:3:3:	C[5]-4:C[5]-3:H-1:	C[3]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[3]C[5]H)(C[5]C[5]C)(H)	C[5](C[3]C[3]2H)(C[5]C[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(COO)	C[5](C[5]C[3]C[5]H)(C[5]C[5]C)(H){2|C<3>,2|C<4>,3|H<1>}	C[5](C[3]C[3]2H)(C[5]C[5]CH)(C[5]C[5]H)(H){2|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(COO){1|C<4>,2|H<1>,3|C<3>}	112.9270	0.000	1	112.9270	0.000	1	112.9270	0.000	1	112.9270	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:4:3:1:	4:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]2H)(C[5]C[5]C)(H)	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCo2C)	C[5](C[5]C[5]2H)(C[5]C[5]C)(H){1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5]HH)(C[5]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCo2C){1|C<4>,3|H<1>}	112.4780	0.000	1	112.4780	0.000	1	112.4780	0.000	1	112.4780	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:4:3:4:	3:3:1:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]C[5]2C)(C[5]C[5]Br)(O)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]H)(C[5]C[5]O)(Br)	C[5](C[5]C[5]2C)(C[5]C[5]Br)(O){2|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(C[5]C[5]O)(CH3){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]H)(C[5]C[5]O)(Br){1|O<2>,3|C<4>}	105.8790	0.000	1	105.8790	0.000	1	105.8790	0.000	1	107.5830	2.206	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:4:3:4:	3:3:1:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]2C)(C[5]C[5]H)(O)	C[5](C[5]C[5,5]O[5]H)(C[5]C[5]CH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5]2C)(C[5]C[5]H)(O){1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]O[5]H)(C[5]C[5]CH)(C[5]C[5]O)(CH3){3|C<4>,3|H<1>}	C[5](C[5]C[5]H)(C[5]C[5]O)(H){1|H<1>,3|C<4>}	108.4350	0.239	2	108.4350	0.057	2	108.4350	0.057	2	107.5830	2.206	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:4:3:4:	3:3:2:	C[5]-4:C[5]-3:O-1:	C[5]-4:N[6]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[5]N[6]C)(C[5]C[5]O)(O)	C[5](C[5]C[6a]C[5]H)(N[6]C[6]2H)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]C)(C[5]C[5]O)(OC[6])	C[5](C[5]C[5]N[6]C)(C[5]C[5]O)(O){1|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[6a]C[5]H)(N[6]C[6]2H)(C[5]C[5]O)(CH3){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(OC[6]){1|C<3>,1|C<4>,1|H<1>,1|N<4>}	107.5620	0.000	1	107.5620	0.000	1	107.5620	0.000	1	107.5620	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	4:4:3:4:	4:3:4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]2C)(C[5]C[5]C)(H)	C[5](C[5]C[5,6]O[5]O)(C[5]C[5]CH)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]2C)(C[5]C[5]C)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5](C[5]C[5,6]O[5]O)(C[5]C[5]CH)(C[5]C[5]H)(CH3){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(CH3){1|H<1>,3|C<4>}	112.5340	0.000	1	112.5340	0.000	1	112.5340	0.000	1	112.5340	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	5:3:3:1:	4:3:1:	C[5]-4:C[5]-3:H-1:	Si[4,5]-5:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]Si[4,5]C[6a]H)(C[5]C[5]H)(H)	C[5](Si[4,5]C[5]N[4]2N)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[5](C[5]Si[4,5]C[6a]H)(C[5]C[5]H)(H)	C[5](C[5]Si[4,5]C[6a]H)(C[5]C[5]H)(H){1|H<1>,3|C<3>,3|N<3>}	C[5](Si[4,5]C[5]N[4]2N)(C[6a]C[6a]2)(C[5]C[5]H)(H){2|C<4>,4|C<3>,4|H<1>}	C[5](C[5]Si[4,5]C[6a]H)(C[5]C[5]H)(H){1|H<1>,3|C<3>,3|N<3>}	119.7425	0.305	2	119.7425	0.093	2	119.7425	0.093	2	119.7425	0.093	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:1:	6:3:3:1:	6:3:4:	C[5]-4:C[5]-3:H-1:	C[5x3,6x5,20x6]-6:C[6a]-3:C[5]-3:H-1:	C[5x3,6x5,20x6]-6:C[5]-3:C-4:	C[5](C[5]C[5x3,6x5,20x6]C[6a]H)(C[5]C[5x3,6x5,20x6]C)(H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]H)(CH3)	C[5](C[5]C[5x3,6x5,20x6]C[6a]H)(C[5]C[5x3,6x5,20x6]C)(H){2|C<3>,6|B<6>}	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[6a]C[6a]2)(C[5]C[5]H)(H){1|C<4>,2|C<3>,5|B<6>,6|H<1>}	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]H)(CH3){1|C<3>,5|B<6>,5|H<1>}	116.4090	0.000	1	116.4090	0.000	1	116.4090	0.000	1	116.4090	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	3:2:1:1:	3:3:4:	C[5]-4:C[5]-3:O-2:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]S[5]HH)(C[5]C[5]C)(OH)	C[5](C[5]C[5]O)(S[5]C[5])(H)2	C[5](C[5]C[5]O)(C[5]S[5]O)(CH3)	C[5](C[5]S[5]HH)(C[5]C[5]C)(OH){1|O<1>}	C[5](C[5]C[5]O)(S[5]C[5])(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]O)(C[5]S[5]O)(CH3){2|H<1>}	117.2320	0.000	1	117.2320	0.000	1	117.2320	0.000	1	117.2320	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	3:2:2:1:	3:3:1:	C[5]-4:C[5]-3:C-2:	C[5]-3:O[5]-2:S-2:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]O[5]HS)(C[5]C[5]H)(CC[6a])	C[5](C[5]C[5]C)(O[5]C[5])(SC[6])(H)	C[5](C[5]C[5]C)(C[5]O[5]O)(H)	C[5](C[5]O[5]HS)(C[5]C[5]H)(CC[6a]){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(SC[6])(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(C[5]O[5]O)(H){1|H<1>,1|S<2>}	109.0800	0.000	1	109.0800	0.000	1	109.0800	0.000	1	109.0800	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	3:2:4:1:	3:3:2:	C[5]-4:C[5]-3:O-2:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-3:C[5]-3:O-2:	C[5](C[5]O[5]CH)(C[5]C[5]O)(OC)	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(H)	C[5](C[5]C[5]O)(C[5]O[5]O)(OH)	C[5](C[5]O[5]CH)(C[5]C[5]O)(OC){1|O<1>}	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(H){1|O<1>,1|O<2>}	C[5](C[5]C[5]O)(C[5]O[5]O)(OH){1|C<4>,1|H<1>}	109.4980	0.000	1	109.4980	0.000	1	109.5671	0.264	15	109.5671	0.264	15	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	3:2:4:1:	3:3:2:	C[5]-4:C[5]-3:O-2:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-3:C[5]-3:O-2:	C[5](C[5]O[5]CH)(C[5]C[5]O)(OH)	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(H)	C[5](C[5]C[5]O)(C[5]O[5]O)(OH)	C[5](C[5]O[5]CH)(C[5]C[5]O)(OH){1|O<1>}	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(H){1|O<1>,1|O<2>}	C[5](C[5]C[5]O)(C[5]O[5]O)(OH){1|C<4>,1|H<1>}	109.5721	0.533	14	109.5721	0.284	14	109.5671	0.264	15	109.5671	0.264	15	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	3:2:4:1:	3:3:4:	C[5]-4:C[5]-3:O-2:	C[5]-3:S[5]-2:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]S[5]CH)(C[5]C[5]C)(OH)	C[5](C[5]C[5]O)(S[5]C[5])(CH3)(H)	C[5](C[5]C[5]O)(C[5]S[5]O)(CH3)	C[5](C[5]S[5]CH)(C[5]C[5]C)(OH){1|O<1>}	C[5](C[5]C[5]O)(S[5]C[5])(CH3)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]O)(C[5]S[5]O)(CH3){1|C<4>,1|H<1>}	117.7930	0.000	1	117.7930	0.000	1	117.7930	0.000	1	117.7930	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	3:2:4:4:	3:3:3:	C[5]-4:C[5]-3:O-2:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-3:C[5]-3:C-3:	C[5](C[5]O[5]CC)(C[5]C[5]C)(OH)	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)2	C[5](C[5]C[5]O)(C[5]O[5]O)(CCC)	C[5](C[5]O[5]CC)(C[5]C[5]C)(OH){1|O<1>}	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)2{1|C<3>,1|O<1>}	C[5](C[5]C[5]O)(C[5]O[5]O)(CCC){2|C<4>}	111.7920	0.000	1	111.7920	0.000	1	111.7920	0.000	1	111.7920	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	3:2:4:4:	4:3:3:	C[5]-4:C[5]-3:S-2:	C[5]-3:O[5]-2:C-4:C-4:	S[5]-4:C[5]-3:C-3:	C[5](C[5]O[5]CC)(C[5]S[5]C)(SC[5a])	C[5](C[5]C[5]S)(O[5]S[5])(CH3)2	C[5](S[5]O[5]OO)(C[5]C[5]S)(CHN)	C[5](C[5]O[5]CC)(C[5]S[5]C)(SC[5a]){2|O<1>}	C[5](C[5]C[5]S)(O[5]S[5])(CH3)2{1|C<3>,2|O<1>}	C[5](S[5]O[5]OO)(C[5]C[5]S)(CHN){2|C<4>}	116.1750	0.000	1	116.1750	0.000	1	116.1750	0.000	1	116.1750	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:N-2:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(NO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(NO){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(O){2|C<3>,3|H<1>}	110.3400	0.000	1	110.3400	0.000	1	110.3400	0.000	1	109.3120	2.114	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:O-2:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(OZr)	C[5](C[5]C[5]C)(C[5]C[5]O)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(OZr){2|C<4>}	C[5](C[5]C[5]C)(C[5]C[5]O)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(H){1|C<4>,2|H<1>}	108.2840	0.000	1	108.2840	0.000	1	108.2840	0.000	1	109.3120	2.114	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	3:3:1:1:	3:3:4:	C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:P-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(OIr)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(PCCS)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(OIr){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)2{1|H<1>,1|P<4>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(PCCS){2|C<3>,3|H<1>}	110.3060	0.000	1	110.3060	0.000	1	111.1083	1.893	6	111.2147	1.486	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	3:3:1:1:	3:3:4:	C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:P-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(OIr)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(PIrCC)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(OIr){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)2{1|H<1>,1|P<4>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(PIrCC){2|C<3>,3|H<1>}	110.6240	0.236	2	110.6240	0.056	2	111.1083	1.893	6	111.2147	1.486	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	3:3:1:1:	3:3:4:	C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:P-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(ORh)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(PCCS)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(ORh){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)2{1|H<1>,1|P<4>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(PCCS){2|C<3>,3|H<1>}	109.5000	0.000	1	109.5000	0.000	1	111.1083	1.893	6	111.2147	1.486	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	3:3:1:1:	3:3:4:	C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:P-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(OSi)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(PRuCC)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(OSi){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)2{1|H<1>,1|P<4>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(PRuCC){2|C<3>,3|H<1>}	112.7980	0.000	2	112.7980	0.000	2	111.1083	1.893	6	111.2147	1.486	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	3:3:1:1:	3:3:4:	C[5]-4:C[5]-3:S-2:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:P-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(SIr)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(PIrCC)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(SIr){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(H)2{1|H<1>,1|P<4>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(PIrCC){2|C<3>,3|H<1>}	111.5340	0.815	2	111.5340	0.664	2	111.5340	0.664	2	111.2147	1.486	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-2:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]N[5]HH)(C[5]C[5]H)(CC)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(H)	C[5](C[5]N[5]HH)(C[5]C[5]H)(CC){1|S<4>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{3|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(H){1|S<4>,2|H<1>}	111.2820	0.000	1	111.2820	0.000	1	111.2820	0.000	1	111.2820	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	3:3:1:1:	4:3:4:	C[5]-4:C[5]-3:N-2:	C[5]-3:N[5]-3:H-1:H-1:	P[5]-4:C[5]-3:P-4:	C[5](C[5]N[5]HH)(C[5]P[5]P)(NC[6a])	C[5](C[5]C[5]N)(N[5]P[5]C)(H)2	C[5](P[5]C[6a]2N[5])(C[5]C[5]N)(PC[6a]2O)	C[5](C[5]N[5]HH)(C[5]P[5]P)(NC[6a]){1|C<4>,2|C<3>}	C[5](C[5]C[5]N)(N[5]P[5]C)(H)2{1|P<4>,2|C<3>}	C[5](P[5]C[6a]2N[5])(C[5]C[5]N)(PC[6a]2O){1|C<4>,2|H<1>,4|C<3>}	111.5810	0.000	1	111.5810	0.000	1	111.5810	0.000	1	111.5810	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	3:3:2:1:	3:3:1:	C[5]-4:C[5]-3:O-2:	C[5]-3:N[5]-3:O-2:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]HO)(C[5]C[5]H)(OC)	C[5](C[5]C[5]O)(N[5]C[5]C)(OH)(H)	C[5](C[5]C[5]O)(C[5]N[5]O)(H)	C[5](C[5]N[5]HO)(C[5]C[5]H)(OC){1|C<4>,1|O<1>}	C[5](C[5]C[5]O)(N[5]C[5]C)(OH)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]O)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<2>}	111.7615	0.439	2	111.7615	0.193	2	111.7615	0.193	2	109.5012	3.300	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	3:3:2:1:	3:3:1:	C[5]-4:C[5]-3:S-2:	C[5]-3:N[5]-3:O-2:H-1:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]N[5]HO)(C[5]C[5]Br)(SC[6a])	C[5](C[5]C[5]S)(N[5]C[5]C)(OH)(H)	C[5](C[5]C[5]S)(C[5]N[5]O)(Br)	C[5](C[5]N[5]HO)(C[5]C[5]Br)(SC[6a]){1|C<4>,1|O<1>}	C[5](C[5]C[5]S)(N[5]C[5]C)(OH)(H){1|Br<1>,1|O<1>}	C[5](C[5]C[5]S)(C[5]N[5]O)(Br){1|C<4>,1|H<1>,1|O<2>}	107.7430	0.000	1	107.7430	0.000	1	107.7430	0.000	1	109.5012	3.300	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	3:3:2:1:	3:3:1:	C[5]-4:C[5]-3:S-2:	C[5]-3:N[5]-3:O-2:H-1:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5]N[5]HO)(C[5]C[5]Cl)(SC[6a])	C[5](C[5]C[5]S)(N[5]C[5]C)(OH)(H)	C[5](C[5]C[5]S)(C[5]N[5]O)(Cl)	C[5](C[5]N[5]HO)(C[5]C[5]Cl)(SC[6a]){1|C<4>,1|O<1>}	C[5](C[5]C[5]S)(N[5]C[5]C)(OH)(H){1|Cl<1>,1|O<1>}	C[5](C[5]C[5]S)(C[5]N[5]O)(Cl){1|C<4>,1|H<1>,1|O<2>}	108.5803	0.476	3	108.5803	0.227	3	108.5803	0.227	3	109.5012	3.300	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	3:3:2:1:	4:3:2:	C[5]-4:C[5]-3:Se-2:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-3:Se-2:	C[5](C[5]C[6a]O[5]H)(C[5]C[5,6]Se)(SeC[6a])	C[5](C[6a]C[6a]2)(C[5]C[5]Se)(O[5]C[5,6])(H)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]Se)(SeC[6a])	C[5](C[5]C[6a]O[5]H)(C[5]C[5,6]Se)(SeC[6a]){2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]Se)(O[5]C[5,6])(H){1|Se<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[6]2O[5])(C[5]C[5]Se)(SeC[6a]){1|C<3>,2|C<4>,5|H<1>}	109.9610	0.000	1	109.9610	0.000	1	109.9610	0.000	1	109.9610	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	3:3:2:2:	3:3:3:	C[5]-4:C[5]-3:C-2:	C[5]-3:C[5]-3:C-2:C-2:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CN)	C[5](C[5]C[5]C)2(CN)2	C[5](C[5]C[5]C)2(CCC)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CN){1|C<2>,1|C<3>}	C[5](C[5]C[5]C)2(CN)2{2|C<3>}	C[5](C[5]C[5]C)2(CCC){3|C<2>}	111.3710	0.000	1	111.3710	0.000	1	107.0005	38.203	2	107.0005	38.203	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	3:3:2:2:	3:3:3:	C[5]-4:C[5]-3:C-2:	C[5]-3:C[5]-3:C-2:C-2:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CRu)	C[5](C[5]C[5]C)2(CN)2	C[5](C[5]C[5]C)2(CCC)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CRu){1|C<2>,1|C<3>}	C[5](C[5]C[5]C)2(CN)2{2|C<3>}	C[5](C[5]C[5]C)2(CCC){3|C<2>}	102.6300	0.000	1	102.6300	0.000	1	107.0005	38.203	2	107.0005	38.203	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	3:3:3:1:	3:3:3:	C[5]-4:C[5]-3:C-2:	N[5,5]-3:C[6a]-3:C[5]-3:H-1:	N[5,5]-3:C[5]-3:N-3:	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]N)(CN)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]C)(NHH)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]N)(CN){1|C<4>,3|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]C)(NHH){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	110.3990	0.000	1	110.3990	0.000	1	110.3990	0.000	1	110.3990	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	3:3:3:1:	3:3:4:	C[5]-4:C[5]-3:S-2:	C[5,6a]-3:C[5]-3:Si-3:H-1:	C[5,6a]-3:C[5]-3:P-4:	C[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]P)(SIr)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(SiC[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(PIrCC)	C[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]P)(SIr){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(SiC[6a]2)(H){1|H<1>,1|P<4>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(PIrCC){1|Si<3>,2|C<3>,2|H<1>}	111.2430	0.000	1	111.2430	0.000	1	111.2430	0.000	1	111.2430	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	3:3:3:1:	4:3:3:	C[5]-4:C[5]-3:C-2:	N[3,5]-3:C[6a]-3:C[5]-3:H-1:	C[3,5]-4:C[5]-3:N-3:	C[5](C[5]N[3,5]C[6a]H)(C[5]C[3,5]N)(CN)	C[5](N[3,5]C[3,5]C[3])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5](C[3,5]N[3,5]C[3]C)(C[5]C[5]C)(NHH)	C[5](C[5]N[3,5]C[6a]H)(C[5]C[3,5]N)(CN){1|C<2>,1|C<4>,2|C<3>}	C[5](N[3,5]C[3,5]C[3])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<2>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[3,5]N[3,5]C[3]C)(C[5]C[5]C)(NHH){2|C<3>,2|H<1>}	112.0550	0.000	1	112.0550	0.000	1	112.0550	0.000	1	112.0550	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	3:3:3:2:	3:3:1:	C[5]-4:C[5]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]2N[5])(C[5]C[5]H)(OC)	C[5](C[6a]C[6a]2)2(C[5]C[5]O)(N[5]C[5])	C[5](C[5]C[6a]N[5])(C[5]C[5]O)(H)	C[5](C[5]C[6a]2N[5])(C[5]C[5]H)(OC){5|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]O)(N[5]C[5]){5|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[5]O)(H){4|C<3>}	109.8700	0.000	1	109.8700	0.000	1	109.8700	0.000	1	109.8700	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	3:3:3:2:	3:3:3:	C[5]-4:C[5]-3:C-2:	C[5,6]-3:C[6a]-3:C[5]-3:C-2:	C[5,6]-3:C[5]-3:N[6]-3:	C[5](C[5]C[5,6]C[6a]C)(C[5]C[5,6]N[6])(CN)	C[5](C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]C)(CN)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(N[6]C[6]2)	C[5](C[5]C[5,6]C[6a]C)(C[5]C[5,6]N[6])(CN){3|C<3>,3|C<4>}	C[5](C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]C)(CN){1|C<2>,1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(N[6]C[6]2){1|C<2>,2|C<3>,3|C<4>,6|H<1>}	110.4030	0.000	1	110.4030	0.000	1	110.4030	0.000	1	110.4030	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	3:3:3:4:	3:2:2:	C[5]-4:C[5]-3:C-2:	C[6a]-3:C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-2:S-2:	C[5](C[5]C[6a]C[5]C)(C[5]N[5]S)(CN)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]N)(CH3)	C[5](C[5]C[5]C)(N[5]C[5])(SC[6a])	C[5](C[5]C[6a]C[5]C)(C[5]N[5]S)(CN){1|N<3>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]N)(CH3){1|S<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5])(SC[6a]){1|C<3>,1|C<4>,1|N<3>}	107.9513	0.577	4	107.9513	0.333	4	107.9513	0.333	4	107.9513	0.333	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	3:3:3:4:	3:3:3:	C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[5a])(OC)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]O)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[5a])(OC){6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)(CH3){3|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]O){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	115.1460	0.000	1	115.1460	0.000	1	115.1460	0.000	1	115.1460	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	3:3:4:1:	3:3:1:	C[5]-4:C[5]-3:O-2:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]CH)(C[5]C[5]H)(OC)	C[5](C[5]C[5]O)(N[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]O)(C[5]N[5]O)(H)	C[5](C[5]N[5]CH)(C[5]C[5]H)(OC){1|C<3>,1|O<1>}	C[5](C[5]C[5]O)(N[5]C[5]C)(CCHH)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]O)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|H<1>}	112.6730	0.000	1	112.0845	0.693	2	112.0845	0.693	2	112.0845	0.693	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	3:3:4:1:	3:3:1:	C[5]-4:C[5]-3:O-2:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]CH)(C[5]C[5]H)(OC)	C[5](C[5]C[5]O)(N[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]O)(C[5]N[5]O)(H)	C[5](C[5]N[5]CH)(C[5]C[5]H)(OC){1|C<4>,1|O<1>}	C[5](C[5]C[5]O)(N[5]C[5]C)(CCHH)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]O)(C[5]N[5]O)(H){1|H<1>,2|C<4>}	111.4960	0.000	1	112.0845	0.693	2	112.0845	0.693	2	112.0845	0.693	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	3:3:4:1:	3:3:4:	C[5]-4:C[5]-3:O-2:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]CH)(C[5]C[5]C)(OC)	C[5](C[5]C[5]O)(N[5]C[5]C)(CC[6a]HH)(H)	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)	C[5](C[5]N[5]CH)(C[5]C[5]C)(OC){1|C<4>,1|O<1>}	C[5](C[5]C[5]O)(N[5]C[5]C)(CC[6a]HH)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3){1|H<1>,2|C<4>}	111.3080	0.000	1	111.3080	0.000	1	111.3080	0.000	1	111.7650	0.418	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	3:3:4:1:	3:3:4:	C[5]-4:C[5]-3:O-2:	N[5]-3:C[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]CH)(C[5]C[5]C)(OC)	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CCHO)(H)	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)	C[5](C[5]N[5]CH)(C[5]C[5]C)(OC){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CCHO)(H){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	112.2220	0.000	1	112.2220	0.000	1	112.2220	0.000	1	111.7650	0.418	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	3:3:4:1:	4:3:2:	C[5]-4:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:N[5]-2:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N[5])(N[5]N[5])	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]CC)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N[5])(N[5]N[5])	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N[5])(N[5]N[5]){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]CC)(H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N[5])(N[5]N[5]){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	124.7970	0.235	3	124.7368	0.095	5	124.7368	0.095	5	124.7368	0.095	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	3:3:4:1:	4:3:2:	C[5]-4:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:N[5]-2:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N[5])(N[5]N[5])	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]CC)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N[5])(N[5]N[5])	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N[5])(N[5]N[5]){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]CC)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N[5])(N[5]N[5]){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	124.6465	0.493	2	124.7368	0.095	5	124.7368	0.095	5	124.7368	0.095	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	3:3:4:1:	4:3:3:	C[5]-4:C[5]-3:O-2:	C[5]-3:N[5]-3:C-4:H-1:	C-4:C[5]-3:C[5]-3:	C[5](C[5]N[5]CH)(C[5]C[5]C)(OH)	C[5](C[5]C[5]O)(N[5]C[5]H)(CC[6a]HH)(H)	C[5](CC[6a]C[5]H)(C[5]C[5]O)(C[5]N[5]O)	C[5](C[5]N[5]CH)(C[5]C[5]C)(OH){1|H<1>,1|O<1>}	C[5](C[5]C[5]O)(N[5]C[5]H)(CC[6a]HH)(H){1|C<4>,1|O<1>}	C[5](CC[6a]C[5]H)(C[5]C[5]O)(C[5]N[5]O){1|C<4>,2|H<1>}	112.7400	0.959	2	112.7400	0.919	2	112.7400	0.919	2	112.7400	0.919	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	3:3:4:2:	3:3:1:	C[5]-4:C[5]-3:O-2:	C[5]-3:N[5]-3:C-4:O-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]CO)(C[5]C[5]H)(OC)	C[5](C[5]C[5]O)(N[5]C[5]O)(CH3)(OH)	C[5](C[5]C[5]O)(C[5]N[5]O)(H)	C[5](C[5]N[5]CO)(C[5]C[5]H)(OC){1|O<1>,1|O<2>}	C[5](C[5]C[5]O)(N[5]C[5]O)(CH3)(OH){1|H<1>,1|O<1>}	C[5](C[5]C[5]O)(C[5]N[5]O)(H){1|C<4>,2|O<2>}	112.3160	0.000	1	112.3160	0.000	1	112.3160	0.000	1	112.3160	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	3:3:4:2:	3:3:3:	C[5]-4:C[5]-3:N-2:	C[5]-3:N[5]-3:C-4:C-2:	C[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]CC)(C[5]C[5]C)(NH)	C[5](C[5]C[5]N)(N[5]C[5]O)(CC[6a]HH)(CN)	C[5](C[5]C[6a]N[5])(C[5]C[5]N)(CC[6a]2)	C[5](C[5]N[5]CC)(C[5]C[5]C)(NH){1|C<3>,1|O<1>}	C[5](C[5]C[5]N)(N[5]C[5]O)(CC[6a]HH)(CN){2|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[5]N)(CC[6a]2){1|C<2>,1|C<4>,1|O<1>,2|C<3>}	105.4950	0.000	1	105.4950	0.000	1	105.4950	0.000	1	105.4950	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	3:3:4:3:	3:3:1:	C[5]-4:C[5]-3:S-2:	C[5,6a]-3:C[5]-3:P-4:C-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]CP)(C[5]C[5,6a]H)(SIr)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(PIrCC)(CCN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(H)	C[5](C[5]C[5,6a]CP)(C[5]C[5,6a]H)(SIr){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(PIrCC)(CCN){2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(H){1|H<1>,1|P<4>,3|C<3>}	110.0060	0.000	1	110.0060	0.000	1	110.0060	0.000	1	110.0060	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	3:3:4:4:	3:3:3:	C[5]-4:C[5]-3:O-2:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]CC)(C[5]C[5]C)(OC)	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)2	C[5](C[5]C[5]C)(C[5]C[5]O)(COO)	C[5](C[5]C[5]CC)(C[5]C[5]C)(OC){2|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)2{2|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]O)(COO){1|C<3>,2|C<4>}	113.2710	0.000	1	113.2710	0.000	1	113.2710	0.000	1	113.2710	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	3:3:4:4:	4:3:1:	C[5]-4:C[5]-3:C-2:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5]N[5]CC)(C[5]C[5]H)(CC)	C[5](C[5]C[5]C)(N[5]C[5]O)(CH3)2	C[5](C[5]N[5]CC)(C[5]C[5]C)(H)	C[5](C[5]N[5]CC)(C[5]C[5]H)(CC){1|O<1>,2|C<4>}	C[5](C[5]C[5]C)(N[5]C[5]O)(CH3)2{1|H<1>,2|C<4>}	C[5](C[5]N[5]CC)(C[5]C[5]C)(H){1|O<1>,2|C<4>}	112.6635	0.170	2	112.6635	0.029	2	112.6635	0.029	2	112.6635	0.029	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	3:3:4:4:	4:3:4:	C[5]-4:C[5]-3:S-2:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]N[5]CC)(C[5]C[5]C)(SC)	C[5](C[5]C[5]S)(N[5]C[5]O)(CH3)2	C[5](C[5]N[5]CC)(C[5]C[5]S)(CHHO)	C[5](C[5]N[5]CC)(C[5]C[5]C)(SC){1|O<1>,2|C<4>}	C[5](C[5]C[5]S)(N[5]C[5]O)(CH3)2{3|C<4>}	C[5](C[5]N[5]CC)(C[5]C[5]S)(CHHO){1|O<1>,2|C<4>}	113.1950	0.000	1	113.1950	0.000	1	113.1950	0.000	1	113.1950	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	3:4:2:1:	3:3:4:	C[5]-4:C[5]-3:C-2:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC)	C[5](C[5]C[5]C)(CC[6a]HH)(O[5]C[5])(H)	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC){1|O<1>}	C[5](C[5]C[5]C)(CC[6a]HH)(O[5]C[5])(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3){1|C<4>,1|H<1>}	109.6270	0.000	1	109.6270	0.000	1	109.6270	0.000	1	109.6270	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	3:4:3:1:	3:2:3:	C[5]-4:C[5]-3:C-2:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:S[5]-2:N-3:	C[5](C[5]C[5a]C[5]H)(C[5]S[5]N)(CN)	C[5](C[5a]C[5a]S[5a])(C[5]S[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(S[5]C[5])(NHH)	C[5](C[5]C[5a]C[5]H)(C[5]S[5]N)(CN){1|H<1>,1|S<2>,2|C<3>}	C[5](C[5a]C[5a]S[5a])(C[5]S[5]CH)(C[5]C[5]C)(H){1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[5]C)(S[5]C[5])(NHH){2|C<3>,2|H<1>}	115.6300	0.000	1	115.6300	0.000	1	115.6300	0.000	1	115.8970	0.245	9	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	3:4:3:1:	3:2:3:	C[5]-4:C[5]-3:C-2:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:S[5]-2:N-3:	C[5](C[5]C[6a]C[5]H)(C[5]S[5]N)(CN)	C[5](C[6a]C[6a]2)(C[5]S[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(S[5]C[5])(NHH)	C[5](C[5]C[6a]C[5]H)(C[5]S[5]N)(CN){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]S[5]CH)(C[5]C[5]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5]C)(S[5]C[5])(NHH){2|C<3>,2|H<1>}	115.9304	0.518	8	115.9304	0.268	8	115.9304	0.268	8	115.8970	0.245	9	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	3:4:3:1:	3:3:2:	C[5]-4:C[5]-3:C-2:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5a]-3:C[5]-3:O[5]-2:	C[5](C[5]C[6a]C[5]H)(C[5]C[5a]O[5])(CN)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]C)(O[5]C[5])	C[5](C[5]C[6a]C[5]H)(C[5]C[5a]O[5])(CN){1|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(H){2|H<1>,3|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]C)(O[5]C[5]){1|N<3>,3|H<1>,4|C<3>}	110.2596	0.434	5	110.2596	0.188	5	110.2596	0.188	5	110.3277	0.170	7	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	3:4:3:1:	3:3:2:	C[5]-4:C[5]-3:C-2:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-3:O[5]-2:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5])(CN)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5])(CN){1|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(H){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5]){4|C<3>,4|H<1>}	110.4980	0.431	2	110.4980	0.186	2	110.4980	0.186	2	110.3277	0.170	7	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	3:4:3:1:	3:3:3:	C[5]-4:C[5]-3:N-2:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(NN)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]N)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]N)(N[5]C[5]S)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(NN){1|S<4>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]N)(H){1|S<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]N)(N[5]C[5]S){3|C<3>,5|H<1>}	112.1020	0.000	1	112.1020	0.000	1	112.1020	0.000	1	112.6013	0.187	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	3:4:3:1:	3:3:3:	C[5]-4:C[5]-3:S-2:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(SC)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]S)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]C[5]S)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(SC){1|O<1>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]S)(H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]C[5]S){3|C<3>,5|H<1>}	112.8510	0.000	2	112.8510	0.000	2	112.8510	0.000	2	112.6013	0.187	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	3:4:3:1:	4:3:3:	C[5]-4:C[5]-3:C-2:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:N-3:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N)(CN)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(NHH)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N)(CN){2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H){1|N<3>,2|H<1>,4|C<3>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(NHH){1|C<3>,3|H<1>}	113.1177	0.294	3	113.1177	0.087	3	113.1177	0.087	3	113.0538	0.074	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	3:4:3:1:	4:3:3:	C[5]-4:C[5]-3:C-2:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(CC)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(CC){1|O<2>,2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]C[5]C)(H){3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C){1|O<2>,4|H<1>,5|C<3>}	112.8620	0.000	1	112.8620	0.000	1	112.8620	0.000	1	113.0538	0.074	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	4:3:1:1:	3:2:3:	C[5]-4:C[5]-3:C-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:S[5]-2:N-3:	C[5](C[5]C[5]HH)(C[5]S[5]N)(CN)	C[5](C[5]S[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]C)(S[5]C[5])(NC[6a]H)	C[5](C[5]C[5]HH)(C[5]S[5]N)(CN){2|H<1>}	C[5](C[5]S[5]HH)(C[5]C[5]C)(H)2{1|N<3>}	C[5](C[5]C[5]C)(S[5]C[5])(NC[6a]H){4|H<1>}	115.9600	0.000	1	115.9600	0.000	1	115.9600	0.000	1	115.9600	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	4:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-2:	C[5]-4:C[5]-3:H-1:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]H)(CN)	C[5](C[5]N[5]HH)(C[5]C[5]C)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]N[5]H)(CN){1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(H)2{1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(H){2|C<3>,4|H<1>}	110.2510	0.000	1	110.2510	0.000	1	110.2510	0.000	1	113.1094	2.948	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	4:3:1:1:	3:3:1:	C[5]-4:C[5]-3:N-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(NN)	C[5](C[5]N[5]HH)(C[5]C[5]N)(H)2	C[5](C[5]C[5]N)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(NN){1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]N)(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[5]N)(N[5]C[5]C)(O){4|H<1>}	114.1390	0.000	1	114.1390	0.000	1	114.1390	0.000	1	113.1094	2.948	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	4:3:1:1:	3:3:1:	C[5]-4:C[5]-3:O-2:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5,6]HH)(C[5]C[5]H)(OC)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(H)2	C[5](C[5]C[5,6]O)(C[5]C[5]O)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5]H)(OC){1|C<3>,1|C<4>,1|O<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,2|O<1>,3|H<1>}	C[5](C[5]C[5,6]O)(C[5]C[5]O)(H){1|C<3>,1|C<4>,2|H<1>}	114.0400	0.000	1	114.0400	0.000	1	114.0400	0.000	1	113.1094	2.948	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	4:3:1:1:	3:3:1:	C[5]-4:C[5]-3:O-2:	C[5,6]-4:C[5]-3:H-1:H-1:	N[5,6]-3:C[5]-3:H-1:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]H)(OC)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]O)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]O)(H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]O)(H){1|O<1>,2|C<4>,3|H<1>}	112.7550	0.000	1	112.7550	0.000	1	112.7550	0.000	1	113.1094	2.948	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	4:3:1:1:	3:3:1:	C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(OC)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]O)2(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(OC){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|H<1>,1|O<1>}	C[5](C[5]C[5]O)2(H){4|H<1>}	114.3620	0.000	1	114.3620	0.000	1	114.3620	0.000	1	113.1094	2.948	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	4:3:1:1:	3:3:3:	C[5]-4:C[5]-3:N-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]N[5]C)(NO)	C[5](C[5]N[5]HH)(C[5]C[5]N)(H)2	C[5](C[5]C[5]N)(N[5]C[5]S)(CC[6a]2)	C[5](C[5]C[5]HH)(C[5]N[5]C)(NO){1|S<4>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]N)(H)2{1|C<3>,1|S<4>}	C[5](C[5]C[5]N)(N[5]C[5]S)(CC[6a]2){4|H<1>}	109.0755	0.146	2	109.0755	0.021	2	109.0755	0.021	2	110.6625	2.753	11	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	4:3:1:1:	3:3:3:	C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(ORu)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]H)(C[5]C[5]O)(COO)	C[5](C[5]C[5]HH)(C[5]C[5]C)(ORu){3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(C[5]C[5]O)(COO){4|H<1>}	108.1630	0.000	2	108.1630	0.000	2	108.1630	0.000	2	110.6625	2.753	11	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	4:3:1:1:	3:3:3:	C[5]-4:C[5]-3:S-2:	C[4,5]-4:C[5]-3:H-1:H-1:	N[4,5]-3:C[5]-3:C-3:	C[5](C[5]C[4,5]HH)(C[5]N[4,5]C)(SC)	C[5](C[4,5]N[4,5]C[4]H)(C[5]C[5]S)(H)2	C[5](N[4,5]C[4,5]C[4])(C[5]C[5]S)(COO)	C[5](C[5]C[4,5]HH)(C[5]N[4,5]C)(SC){1|C<3>,1|C<4>,1|H<1>}	C[5](C[4,5]N[4,5]C[4]H)(C[5]C[5]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](N[4,5]C[4,5]C[4])(C[5]C[5]S)(COO){1|C<4>,1|O<1>,3|H<1>}	111.8300	0.269	7	111.8300	0.072	7	111.8300	0.072	7	110.6625	2.753	11	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	4:3:1:1:	3:3:4:	C[5]-4:C[5]-3:N-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:Si-4:	C[5](C[5]C[5]HH)(C[5]C[5]Si)(NS)	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	C[5](C[5]C[5]H)(C[5]C[5]N)(SiC3)	C[5](C[5]C[5]HH)(C[5]C[5]Si)(NS){3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{1|Si<4>,1|H<1>}	C[5](C[5]C[5]H)(C[5]C[5]N)(SiC3){4|H<1>}	109.4090	0.000	1	109.4090	0.000	1	109.4090	0.000	1	113.3409	2.256	9	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	4:3:1:1:	3:3:4:	C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(OC)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]O)2(CCHH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(OC){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]O)2(CCHH){4|H<1>}	114.1173	0.359	3	114.1173	0.129	3	113.8324	0.093	8	113.3409	2.256	9	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	4:3:1:1:	3:3:4:	C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(OH)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]O)2(CCHH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(OH){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]O)2(CCHH){4|H<1>}	113.6160	0.000	1	113.6160	0.000	1	113.8324	0.093	8	113.3409	2.256	9	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	4:3:1:1:	3:3:4:	C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(OH)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]O)2(CC[6a]HH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(OH){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]O)2(CC[6a]HH){4|H<1>}	113.6655	0.047	2	113.6655	0.002	2	113.8324	0.093	8	113.3409	2.256	9	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	4:3:1:1:	3:3:4:	C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(OH)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]O)2(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(OH){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]O)2(CH3){4|H<1>}	113.6800	0.001	2	113.6800	0.000	2	113.8324	0.093	8	113.3409	2.256	9	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:N-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]HH)(C[5]C[5]O)(NO)	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]N)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(NO){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(O){4|H<1>}	110.5440	0.714	4	110.5440	0.509	4	110.5440	0.509	4	111.7784	8.001	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:O-2:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(OS)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(OS){2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(H)2{3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(H){2|C<4>,5|H<1>}	116.7160	0.000	1	116.7160	0.000	1	116.7160	0.000	1	111.7784	8.001	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	4:3:1:1:	4:3:2:	C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:F-1:F-1:	C[5]-4:C[5]-3:O-2:	C[5](C[5]C[5]FF)(C[5]C[5]O)(OC[6a])	C[5](C[5]C[5]FF)(C[5]C[5]O)(F)2	C[5](C[5]C[5]FF)(C[5]C[5]O)(OC[6a])	C[5](C[5]C[5]FF)(C[5]C[5]O)(OC[6a]){4|F<1>}	C[5](C[5]C[5]FF)(C[5]C[5]O)(F)2{1|O<2>,2|F<1>}	C[5](C[5]C[5]FF)(C[5]C[5]O)(OC[6a]){4|F<1>}	111.6735	0.218	4	111.6735	0.047	4	111.6735	0.047	4	111.6735	0.047	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:N-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(NH)	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]N)(CSS)	C[5](C[5]C[5]HH)(C[5]C[5]C)(NH){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(CSS){4|H<1>}	110.5740	0.141	2	110.5740	0.020	2	110.0470	0.241	7	111.5121	2.582	17	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:N-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(NN)	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]N)(CC[6a]C)	C[5](C[5]C[5]HH)(C[5]C[5]C)(NN){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(CC[6a]C){4|H<1>}	109.5450	0.182	2	109.5450	0.033	2	110.0470	0.241	7	111.5121	2.582	17	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:N-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(NN)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]N)(CC[6a]C)	C[5](C[5]C[5]HH)(C[5]C[5]C)(NN){1|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(CC[6a]C){1|C<3>,3|H<1>}	109.8150	0.232	2	109.8150	0.054	2	110.0470	0.241	7	111.5121	2.582	17	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:N-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(NO)	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]N)(CC[6a]2)	C[5](C[5]C[5]HH)(C[5]C[5]C)(NO){2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{3|C<3>}	C[5](C[5]C[5]CC)(C[5]C[5]N)(CC[6a]2){4|H<1>}	110.4610	0.000	1	110.4610	0.000	1	110.0470	0.241	7	111.5121	2.582	17	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:O-2:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(OSi)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]O)(H)2	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]O)(CN[6]O)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(OSi){1|C<3>,1|N<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]O)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]O)(CN[6]O){1|C<4>,2|C<3>,3|H<1>}	113.2430	0.078	2	113.2430	0.006	2	113.2430	0.006	2	111.5121	2.582	17	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:F-1:F-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]FF)(C[5]C[5]C)(OH)	C[5](C[5]C[5]HH)(C[5]C[5]O)(F)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]O)	C[5](C[5]C[5]FF)(C[5]C[5]C)(OH){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(F)2{1|H<1>,2|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]O){2|C<3>,2|F<1>,2|H<1>}	110.1880	0.000	1	110.1880	0.000	1	110.1880	0.000	1	111.5121	2.582	17	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:H-1:H-1:	C-4:C[5]-3:C[5]-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(OH)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](CC[6a]C[5]H)(C[5]C[5]O)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(OH){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,1|O<1>}	C[5](CC[6a]C[5]H)(C[5]C[5]O)2{4|H<1>}	113.5545	0.110	4	113.5545	0.012	4	113.5545	0.012	4	111.5121	2.582	17	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(OAl)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCO)	C[5](C[5]C[5]HH)(C[5]C[5]C)(OAl){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCO){4|H<1>}	111.4947	0.428	3	111.4947	0.183	3	111.4947	0.183	3	111.5121	2.582	17	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	4:3:1:1:	4:3:4:	C[5]-4:C[5]-3:C-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CN)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]HH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CN){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]HH){4|H<1>}	112.9830	0.000	1	112.9830	0.000	1	112.9830	0.000	1	112.3025	0.926	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	4:3:1:1:	4:3:4:	C[5]-4:C[5]-3:N-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:P-4:	C[5](C[5]C[5]HH)(C[5]C[5]P)(NC[6a])	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]N)(PRuCC)	C[5](C[5]C[5]HH)(C[5]C[5]P)(NC[6a]){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{1|P<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(PRuCC){4|H<1>}	111.6220	0.000	1	111.6220	0.000	1	111.6220	0.000	1	112.3025	0.926	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	4:3:3:1:	2:3:3:	C[5]-4:C[5]-3:C-2:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	O[5]-2:C[5]-3:N-3:	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]N)(CN)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5](O[5]C[5,5])(C[5]C[5]C)(NHH)	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]N)(CN){4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|Br<1>,1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[5](O[5]C[5,5])(C[5]C[5]C)(NHH){1|H<1>,3|C<3>}	110.6530	0.000	1	110.6530	0.000	1	110.6530	0.000	1	110.6530	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	4:3:3:1:	4:3:1:	C[5]-4:C[5]-3:O-2:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(OC)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]O)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5]O)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(OC){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]O)(H){1|C<4>,5|C<3>,5|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]O)(H){1|H<1>,1|N<3>,2|C<3>}	114.9280	0.000	1	114.9280	0.000	1	114.8657	0.015	3	114.8657	0.015	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	4:3:3:1:	4:3:1:	C[5]-4:C[5]-3:O-2:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(OC)	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]O)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5]O)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(OC){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]O)(H){1|O<2>,2|C<4>,4|C<3>,5|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	114.7260	0.000	1	114.8345	0.024	2	114.8657	0.015	3	114.8657	0.015	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	4:3:3:1:	4:3:1:	C[5]-4:C[5]-3:O-2:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(OC)	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]O)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5]O)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(OC){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]O)(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	114.9430	0.000	1	114.8345	0.024	2	114.8657	0.015	3	114.8657	0.015	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	4:3:3:1:	4:3:3:	C[5]-4:C[5]-3:C-2:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-3:N-3:	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]N)(CN)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]C)(NHH)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]N)(CN){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]C)(NHH){1|C<4>,2|H<1>,3|C<3>}	111.1290	0.000	1	111.1290	0.000	1	111.1290	0.000	1	113.3655	0.729	17	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	4:3:3:1:	4:3:3:	C[5]-4:C[5]-3:C-2:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(CC)	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(CC){2|H<1>,6|C<3>}	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){3|H<1>,6|C<3>}	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C){4|H<1>,6|C<3>}	112.7150	0.682	2	112.7150	0.465	2	112.7150	0.465	2	113.3655	0.729	17	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	4:3:3:1:	4:3:3:	C[5]-4:C[5]-3:O-2:	C[5,5]-4:C[5]-3:C-3:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(OC)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]O)(COO)(H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]O)(COO)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(OC){1|C<3>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]O)(COO)(H){2|C<4>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]O)(COO){1|C<4>,2|H<1>,4|C<3>}	112.8615	0.185	2	112.8615	0.034	2	113.6182	0.343	14	113.3655	0.729	17	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	4:3:3:1:	4:3:3:	C[5]-4:C[5]-3:O-2:	C[5,5]-4:C[5]-3:C-3:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(OC)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(COO)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(COO)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(OC){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(COO)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(COO){3|H<1>,4|C<3>}	113.6033	0.854	4	113.6033	0.730	4	113.6182	0.343	14	113.3655	0.729	17	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	4:3:3:1:	4:3:3:	C[5]-4:C[5]-3:O-2:	C[5,5]-4:C[5]-3:C-3:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(OH)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]O)(COO)(H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]O)(COO)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(OH){1|C<3>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]O)(COO)(H){2|C<4>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]O)(COO){1|C<4>,2|H<1>,4|C<3>}	113.9700	0.218	2	113.9700	0.047	2	113.6182	0.343	14	113.3655	0.729	17	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	4:3:3:1:	4:3:3:	C[5]-4:C[5]-3:O-2:	C[5,5]-4:C[5]-3:C-3:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(OH)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(COO)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(COO)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(OH){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(COO)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(COO){3|H<1>,4|C<3>}	113.7632	0.365	6	113.7632	0.133	6	113.6182	0.343	14	113.3655	0.729	17	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	4:3:3:2:	3:3:2:	C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:C-3:O-2:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[5]CO)(C[5]C[5]O)(OC)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCH)(OC)	C[5](C[5]C[5]O)2(OH)	C[5](C[5]C[5]CO)(C[5]C[5]O)(OC){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCH)(OC){1|O<1>,1|O<2>}	C[5](C[5]C[5]O)2(OH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	112.3220	0.000	1	112.3220	0.000	1	112.3220	0.000	1	112.3220	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	4:3:3:2:	3:3:4:	C[5]-4:C[5]-3:N-2:	C[5,6]-4:C[5]-3:C-3:C-2:	C[5,6]-3:C[5]-3:Si-4:	C[5](C[5]C[5,6]CC)(C[5]C[5,6]Si)(NC)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]N)(CNO)(CN)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]N)(SiC3)	C[5](C[5]C[5,6]CC)(C[5]C[5,6]Si)(NC){1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]N)(CNO)(CN){1|Si<4>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]N)(SiC3){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	107.2640	0.134	2	107.2640	0.018	2	107.2640	0.018	2	107.2640	0.018	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	4:3:3:2:	4:3:4:	C[5]-4:C[5]-3:C-2:	C[5]-4:C[5]-3:C-3:O-2:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CO)(C[5]C[5]C)(CC)	C[5](C[5]C[5]HH)(C[5]C[5]C)(COO)(OH)	C[5](C[5]C[5]HO)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]CO)(C[5]C[5]C)(CC){1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(COO)(OH){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]C[5]C)(CH3){1|C<3>,1|O<2>,2|H<1>}	112.3960	0.000	1	112.3960	0.000	1	112.3960	0.000	1	112.3960	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	4:3:4:1:	3:3:3:	C[5]-4:C[5]-3:S-2:	C[4,5]-4:C[5]-3:C-4:H-1:	N[4,5]-3:C[5]-3:C-3:	C[5](C[5]C[4,5]CH)(C[5]N[4,5]C)(SC[4])	C[5](C[4,5]N[4,5]C[4]H)(C[5]C[5]S)(CH3)(H)	C[5](N[4,5]C[4,5]C[4])(C[5]C[5]S)(COO)	C[5](C[5]C[4,5]CH)(C[5]N[4,5]C)(SC[4]){1|C<3>,1|C<4>,1|H<1>}	C[5](C[4,5]N[4,5]C[4]H)(C[5]C[5]S)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[4,5]C[4,5]C[4])(C[5]C[5]S)(COO){1|O<1>,2|C<4>,2|H<1>}	110.5710	0.000	1	110.5710	0.000	1	110.8250	0.129	2	110.8250	0.129	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	4:3:4:1:	3:3:3:	C[5]-4:C[5]-3:S-2:	C[4,5]-4:C[5]-3:C-4:H-1:	N[4,5]-3:C[5]-3:C-3:	C[5](C[5]C[4,5]CH)(C[5]N[4,5]C)(SC[5])	C[5](C[4,5]N[4,5]C[4]H)(C[5]C[5]S)(CH3)(H)	C[5](N[4,5]C[4,5]C[4])(C[5]C[5]S)(COO)	C[5](C[5]C[4,5]CH)(C[5]N[4,5]C)(SC[5]){1|C<3>,1|C<4>,1|H<1>}	C[5](C[4,5]N[4,5]C[4]H)(C[5]C[5]S)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[4,5]C[4,5]C[4])(C[5]C[5]S)(COO){1|O<1>,2|C<4>,2|H<1>}	111.0790	0.000	1	111.0790	0.000	1	110.8250	0.129	2	110.8250	0.129	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:2:	4:4:3:1:	4:3:4:	C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]2H)(C[5]C[5]C)(OSi)	C[5](C[5]C[5]2C)(C[5]C[5]HH)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]2H)(C[5]C[5]C)(OSi){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5]2C)(C[5]C[5]HH)(C[5]C[5]O)(H){1|O<1>,3|C<4>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3){1|C<4>,3|H<1>}	114.4830	0.000	1	114.4830	0.000	1	114.4830	0.000	1	114.4830	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:2:1:1:	3:2:4:	C[5]-4:C[5]-3:C-3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C[5](C[5]O[5]HH)(C[5]N[5]C)(CC[6a]H)	C[5](C[5]C[5]C)(O[5]N[5])(H)2	C[5](C[5]C[5]C)(N[5]O[5])(CH3)	C[5](C[5]O[5]HH)(C[5]N[5]C)(CC[6a]H)	C[5](C[5]C[5]C)(O[5]N[5])(H)2{1|C<4>}	C[5](C[5]C[5]C)(N[5]O[5])(CH3){2|H<1>}	103.5500	0.000	1	103.5500	0.000	1	103.5500	0.000	1	103.5500	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:2:1:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]O[5]HH)(C[5]C[5]H)(CCH)	C[5](C[5]C[5]C)(O[5]C[5])(H)2	C[5](C[5]C[5]C)(C[5]O[5]O)(H)	C[5](C[5]O[5]HH)(C[5]C[5]H)(CCH){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(H)2{1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(C[5]O[5]O)(H){2|H<1>}	108.1560	0.000	1	108.1560	0.000	1	108.1560	0.000	1	108.1560	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:2:1:1:	3:3:3:	C[5]-4:C[5]-3:C-3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]O[5]HH)(C[5]C[5]C)(CC[6a]H)	C[5](C[5]C[5]C)(O[5]C[5])(H)2	C[5](C[5]C[5]C)(C[5]O[5]O)(CCC)	C[5](C[5]O[5]HH)(C[5]C[5]C)(CC[6a]H){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[5]C)(C[5]O[5]O)(CCC){2|H<1>}	106.1060	0.000	1	106.1060	0.000	1	106.1060	0.000	1	106.1060	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:2:1:1:	3:3:4:	C[5]-4:C[5]-3:C-3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-3:C[5]-3:S-4:	C[5](C[5]O[5]HH)(C[5]C[5]S)(CCH)	C[5](C[5]C[5]C)(O[5]C[5])(H)2	C[5](C[5]C[5]C)(C[5]O[5]C)(SC[6a]OO)	C[5](C[5]O[5]HH)(C[5]C[5]S)(CCH){1|C<4>}	C[5](C[5]C[5]C)(O[5]C[5])(H)2{1|C<4>,1|S<4>}	C[5](C[5]C[5]C)(C[5]O[5]C)(SC[6a]OO){2|H<1>}	103.5830	0.000	1	103.5830	0.000	1	103.5830	0.000	1	106.0827	7.633	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:2:1:1:	3:3:4:	C[5]-4:C[5]-3:C-3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]O[5]HH)(C[5]N[5]C)(CC[6a]H)	C[5](C[5]C[5]C)(O[5]N[5])(H)2	C[5](C[5]C[5]C)(N[5]O[5]O)(CH3)	C[5](C[5]O[5]HH)(C[5]N[5]C)(CC[6a]H){1|O<1>}	C[5](C[5]C[5]C)(O[5]N[5])(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]C)(N[5]O[5]O)(CH3){2|H<1>}	105.6160	0.000	1	105.6160	0.000	1	105.6160	0.000	1	106.0827	7.633	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:2:1:1:	3:3:4:	C[5]-4:C[5]-3:N-3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]O[5]HH)(C[5]C[5]C)(NC[6a]H)	C[5](C[5]C[5]N)(O[5]C[5])(H)2	C[5](C[5]C[5]N)(C[5]O[5]O)(CC[6a]2H)	C[5](C[5]O[5]HH)(C[5]C[5]C)(NC[6a]H){1|O<1>}	C[5](C[5]C[5]N)(O[5]C[5])(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]N)(C[5]O[5]O)(CC[6a]2H){2|H<1>}	109.0490	0.000	1	109.0490	0.000	1	109.0490	0.000	1	106.0827	7.633	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:2:1:1:	4:3:3:	C[5]-4:C[5]-3:N-3:	C[5]-3:As[5]-2:H-1:H-1:	P[5]-4:C[5]-3:C-3:	C[5](C[5]As[5]HH)(C[5]P[5]C)(NC[6a]H)	C[5](C[5]C[5]N)(As[5]P[5])(H)2	C[5](P[5]As[5]C[6a]2)(C[5]C[5]N)(CCN)	C[5](C[5]As[5]HH)(C[5]P[5]C)(NC[6a]H){2|C<3>}	C[5](C[5]C[5]N)(As[5]P[5])(H)2{3|C<3>}	C[5](P[5]As[5]C[6a]2)(C[5]C[5]N)(CCN){2|H<1>,4|C<3>}	122.1920	0.000	1	122.1920	0.000	1	122.1920	0.000	1	116.1925	71.988	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:2:1:1:	4:3:3:	C[5]-4:C[5]-3:N-3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]O[5]HH)(C[5]C[5]C)(NCH)	C[5](C[5]C[5]N)(O[5]C[5])(H)2	C[5](C[5]C[6a]O[5]C)(C[5]C[5]N)(CC[5a]O)	C[5](C[5]O[5]HH)(C[5]C[5]C)(NCH){2|C<3>}	C[5](C[5]C[5]N)(O[5]C[5])(H)2{3|C<3>}	C[5](C[5]C[6a]O[5]C)(C[5]C[5]N)(CC[5a]O){2|C<3>,2|H<1>}	110.1930	0.000	1	110.1930	0.000	1	110.1930	0.000	1	116.1925	71.988	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:2:2:1:	3:3:1:	C[5]-4:C[5]-3:N-3:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]O[5]HO)(C[5]C[5]Br)(NCC)	C[5](C[5]C[5]N)(O[5]C[5])(OC)(H)	C[5](C[5]C[5]N)(C[5]O[5]O)(Br)	C[5](C[5]O[5]HO)(C[5]C[5]Br)(NCC){1|O<1>}	C[5](C[5]C[5]N)(O[5]C[5])(OC)(H){1|Br<1>,1|O<1>}	C[5](C[5]C[5]N)(C[5]O[5]O)(Br){1|H<1>,1|O<2>}	106.3390	0.000	1	106.3390	0.000	1	106.9605	0.909	6	107.0211	0.944	16	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:2:2:1:	3:3:1:	C[5]-4:C[5]-3:N-3:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]O[5]HO)(C[5]C[5]Br)(NCC)	C[5](C[5]C[5]N)(O[5]C[5])(OC[6])(H)	C[5](C[5]C[5]N)(C[5]O[5]O)(Br)	C[5](C[5]O[5]HO)(C[5]C[5]Br)(NCC){1|O<1>}	C[5](C[5]C[5]N)(O[5]C[5])(OC[6])(H){1|Br<1>,1|O<1>}	C[5](C[5]C[5]N)(C[5]O[5]O)(Br){1|H<1>,1|O<2>}	106.3570	0.000	1	106.3570	0.000	1	106.9605	0.909	6	107.0211	0.944	16	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:2:2:1:	3:3:1:	C[5]-4:C[5]-3:N-3:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]O[5]HO)(C[5]C[5]Br)(NCH)	C[5](C[5]C[5]N)(O[5]C[5])(OC[6])(H)	C[5](C[5]C[5]N)(C[5]O[5]O)(Br)	C[5](C[5]O[5]HO)(C[5]C[5]Br)(NCH){1|O<1>}	C[5](C[5]C[5]N)(O[5]C[5])(OC[6])(H){1|Br<1>,1|O<1>}	C[5](C[5]C[5]N)(C[5]O[5]O)(Br){1|H<1>,1|O<2>}	106.7917	0.596	3	106.7917	0.355	3	106.9605	0.909	6	107.0211	0.944	16	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:2:2:1:	3:3:1:	C[5]-4:C[5]-3:N-3:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]O[5]HO)(C[5]C[5]Br)(NNS)	C[5](C[5]C[5]N)(O[5]C[5])(OC)(H)	C[5](C[5]C[5]N)(C[5]O[5]O)(Br)	C[5](C[5]O[5]HO)(C[5]C[5]Br)(NNS){1|O<1>}	C[5](C[5]C[5]N)(O[5]C[5])(OC)(H){1|Br<1>,1|O<1>}	C[5](C[5]C[5]N)(C[5]O[5]O)(Br){1|H<1>,1|O<2>}	108.6920	0.000	1	108.6920	0.000	1	106.9605	0.909	6	107.0211	0.944	16	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:2:2:1:	3:3:1:	C[5]-4:C[5]-3:N-3:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(NCC)	C[5](C[5]C[5]N)(O[5]C[5])(OC[6])(H)	C[5](C[5]C[5]N)(C[5]O[5]O)(Cl)	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(NCC){1|O<1>}	C[5](C[5]C[5]N)(O[5]C[5])(OC[6])(H){1|Cl<1>,1|O<1>}	C[5](C[5]C[5]N)(C[5]O[5]O)(Cl){1|H<1>,1|O<2>}	106.4325	0.121	2	106.4325	0.015	2	106.9694	0.263	5	107.0211	0.944	16	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:2:2:1:	3:3:1:	C[5]-4:C[5]-3:N-3:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(NCH)	C[5](C[5]C[5]N)(O[5]C[5])(OC)(H)	C[5](C[5]C[5]N)(C[5]O[5]O)(Cl)	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(NCH){1|O<1>}	C[5](C[5]C[5]N)(O[5]C[5])(OC)(H){1|Cl<1>,1|O<1>}	C[5](C[5]C[5]N)(C[5]O[5]O)(Cl){1|H<1>,1|O<2>}	107.4920	0.000	1	107.4920	0.000	1	106.9694	0.263	5	107.0211	0.944	16	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:2:2:1:	3:3:1:	C[5]-4:C[5]-3:N-3:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(NCH)	C[5](C[5]C[5]N)(O[5]C[5])(OC[6])(H)	C[5](C[5]C[5]N)(C[5]O[5]O)(Cl)	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(NCH){1|O<1>}	C[5](C[5]C[5]N)(O[5]C[5])(OC[6])(H){1|Cl<1>,1|O<1>}	C[5](C[5]C[5]N)(C[5]O[5]O)(Cl){1|H<1>,1|O<2>}	107.2450	0.192	2	107.2450	0.037	2	106.9694	0.263	5	107.0211	0.944	16	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:2:2:1:	3:3:1:	C[5]-4:C[5]-3:N[5]-3:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(N[5]C[5]2)	C[5](C[5]C[5]N[5])(O[5]C[5])(OC[6])(H)	C[5](C[5]C[5]N[5])(C[5]O[5]O)(Cl)	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(N[5]C[5]2){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[5]N[5])(O[5]C[5])(OC[6])(H){1|Cl<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5]N[5])(C[5]O[5]O)(Cl){1|H<1>,1|O<2>,2|C<4>}	106.9860	0.000	1	106.9860	0.000	1	106.9860	0.000	1	107.0211	0.944	16	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:2:2:1:	3:3:1:	C[5]-4:C[5]-3:N[6]-3:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]O[5]HO)(C[5]C[5]Br)(N[6]C[6]2)	C[5](C[5]C[5]N[6])(O[5]C[5])(OC)(H)	C[5](C[5]C[5]N[6])(C[5]O[5]O)(Br)	C[5](C[5]O[5]HO)(C[5]C[5]Br)(N[6]C[6]2){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]N[6])(O[5]C[5])(OC)(H){1|Br<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5]N[6])(C[5]O[5]O)(Br){1|H<1>,1|O<2>,2|C<3>}	109.6600	0.000	1	109.6600	0.000	1	109.6600	0.000	1	107.0211	0.944	16	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:2:2:1:	3:3:1:	C[5]-4:C[5]-3:N[6]-3:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(N[6]C[6]2)	C[5](C[5]C[5]N[6])(O[5]C[5])(OC[6])(H)	C[5](C[5]C[5]N[6])(C[5]O[5]O)(Cl)	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(N[6]C[6]2){1|O<1>,2|C<4>,4|H<1>}	C[5](C[5]C[5]N[6])(O[5]C[5])(OC[6])(H){1|Cl<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5]N[6])(C[5]O[5]O)(Cl){1|H<1>,1|O<2>,2|C<4>}	106.3607	0.359	3	106.3607	0.129	3	106.3607	0.129	3	107.0211	0.944	16	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:2:2:2:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-3:O[5]-2:C-2:C-2:	C[5]-4:C[5]-3:H-1:	C[5](C[5]O[5]CC)(C[5]C[5]H)(COO)	C[5](C[5]C[5]C)(O[5]C[5])(CN)2	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(H)	C[5](C[5]O[5]CC)(C[5]C[5]H)(COO){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(O[5]C[5])(CN)2{1|C<3>,2|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(H){2|C<2>,2|C<3>}	108.9250	0.000	1	108.9250	0.000	1	108.9250	0.000	1	108.9250	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:2:2:2:	4:3:3:	C[5]-4:C[5]-3:C-3:	C[5]-3:O[5]-2:O-2:O-2:	C[5]-4:C[5]-3:C-3:	C[5](C[5]O[5]OO)(C[5]C[5]C)(COO)	C[5](C[5]C[5]C)(O[5]C[5])(OC)2	C[5](C[5]C[6a]O[5]C)(C[5]C[5]C)(COO)	C[5](C[5]O[5]OO)(C[5]C[5]C)(COO){2|C<3>}	C[5](C[5]C[5]C)(O[5]C[5])(OC)2{3|C<3>}	C[5](C[5]C[6a]O[5]C)(C[5]C[5]C)(COO){2|C<3>,2|O<2>}	110.5480	0.000	1	110.5480	0.000	1	110.5480	0.000	1	110.5480	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:2:3:1:	3:3:4:	C[5]-4:C[5]-3:N-3:	C[5]-3:O[5]-2:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]O[5]CH)(C[5]C[5]C)(NCC)	C[5](C[5]C[5]N)(O[5]C[5])(CCH)(H)	C[5](C[5]C[5]N)(C[5]O[5]O)(CH3)	C[5](C[5]O[5]CH)(C[5]C[5]C)(NCC){1|O<1>}	C[5](C[5]C[5]N)(O[5]C[5])(CCH)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]N)(C[5]O[5]O)(CH3){1|C<3>,1|H<1>}	108.4424	0.105	5	108.4424	0.011	5	108.4424	0.011	5	108.4424	0.011	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:2:4:3:	4:3:3:	C[5]-4:C[5]-3:C-3:	C[5]-3:O[5]-2:C-4:N-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5]O[5]CN)(C[5]C[5]C)(CC[6a]Si)	C[5](C[5]C[5]C)(O[5]C[5])(CC3)(NHH)	C[5](C[5]O[5]CC)(C[5]C[5]C)(CC[6a]H)	C[5](C[5]O[5]CN)(C[5]C[5]C)(CC[6a]Si){2|C<4>}	C[5](C[5]C[5]C)(O[5]C[5])(CC3)(NHH){1|C<3>,2|C<4>}	C[5](C[5]O[5]CC)(C[5]C[5]C)(CC[6a]H){1|C<4>,1|N<3>}	104.8300	0.000	1	104.8300	0.000	1	104.8300	0.000	1	104.8300	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:2:4:4:	3:3:2:	C[5]-4:C[5]-3:C-3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-3:C[5]-3:C-2:	C[5](C[5]O[5]CC)(C[5]C[5]C)(CCH)	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2	C[5](C[5]C[5]C)(C[5]O[5]C)(CN)	C[5](C[5]O[5]CC)(C[5]C[5]C)(CCH){1|C<3>}	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2{1|C<2>,1|C<3>}	C[5](C[5]C[5]C)(C[5]O[5]C)(CN){2|C<4>}	107.6718	0.701	20	107.6718	0.491	20	107.7178	0.479	22	107.7466	0.476	23	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:2:4:4:	3:3:2:	C[5]-4:C[5]-3:C-3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-3:C[5]-3:C-2:	C[5](C[5]O[5]CC)(C[5]C[5]C)(CCH)	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2	C[5](C[5]C[5]C)(C[5]O[5]O)(CN)	C[5](C[5]O[5]CC)(C[5]C[5]C)(CCH){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2{1|C<2>,1|O<1>}	C[5](C[5]C[5]C)(C[5]O[5]O)(CN){2|C<4>}	107.8170	0.000	1	107.8170	0.000	1	107.7178	0.479	22	107.7466	0.476	23	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:2:4:4:	3:3:2:	C[5]-4:C[5]-3:C-3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-3:C[5]-3:C-2:	C[5](C[5]O[5]CC)(C[5]C[5]C)(CHN)	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2	C[5](C[5]C[5]C)(C[5]O[5]C)(CN)	C[5](C[5]O[5]CC)(C[5]C[5]C)(CHN){1|C<3>}	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2{1|C<2>,1|C<3>}	C[5](C[5]C[5]C)(C[5]O[5]C)(CN){2|C<4>}	108.5390	0.000	1	108.5390	0.000	1	107.7178	0.479	22	107.7466	0.476	23	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:2:4:4:	3:3:2:	C[5]-4:C[5]-3:C-3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-3:C[5]-3:S-2:	C[5](C[5]O[5]CC)(C[5]C[5]S)(CCH)	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2	C[5](C[5]C[5]C)(C[5]O[5]C)(SC[6a])	C[5](C[5]O[5]CC)(C[5]C[5]S)(CCH){1|C<3>}	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2{1|C<3>,1|S<2>}	C[5](C[5]C[5]C)(C[5]O[5]C)(SC[6a]){2|C<4>}	108.3800	0.000	1	108.3800	0.000	1	108.3800	0.000	1	107.7466	0.476	23	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:2:4:4:	3:3:4:	C[5]-4:C[5]-3:C-3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]O[5]CC)(C[5]C[5]C)(CCC)	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[6a]2H)	C[5](C[5]O[5]CC)(C[5]C[5]C)(CCC){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[6a]2H){2|C<4>}	109.8520	0.000	1	109.8520	0.000	1	109.8520	0.000	1	108.1573	1.558	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:2:4:4:	3:3:4:	C[5]-4:C[5]-3:C-3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-3:C[5]-3:S-4:	C[5](C[5]O[5]CC)(C[5]C[5]S)(CCH)	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2	C[5](C[5]C[5]C)(C[5]O[5]C)(SC[6a]OO)	C[5](C[5]O[5]CC)(C[5]C[5]S)(CCH){1|C<3>}	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2{1|C<3>,1|S<4>}	C[5](C[5]C[5]C)(C[5]O[5]C)(SC[6a]OO){2|C<4>}	107.9535	0.248	2	107.9535	0.062	2	107.5923	0.422	3	108.1573	1.558	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:2:4:4:	3:3:4:	C[5]-4:C[5]-3:C-3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-3:C[5]-3:S-4:	C[5](C[5]O[5]CC)(C[5]C[5]S)(CCH)	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2	C[5](C[5]C[5]C)(C[5]O[5]O)(SC[6a]OO)	C[5](C[5]O[5]CC)(C[5]C[5]S)(CCH){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2{1|O<1>,1|S<4>}	C[5](C[5]C[5]C)(C[5]O[5]O)(SC[6a]OO){2|C<4>}	106.8700	0.000	1	106.8700	0.000	1	107.5923	0.422	3	108.1573	1.558	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:2:4:4:	4:3:3:	C[5]-4:C[5]-3:C-3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5]O[5]CC)(C[5]C[5]C)(CC[6a]H)	C[5](C[5]C[5]C)(O[5]C[5])(CCHH)2	C[5](C[5]O[5]CN)(C[5]C[5]C)(CC[6a]Si)	C[5](C[5]O[5]CC)(C[5]C[5]C)(CC[6a]H){1|C<4>,1|N<3>}	C[5](C[5]C[5]C)(O[5]C[5])(CCHH)2{1|C<3>,1|C<4>,1|N<3>}	C[5](C[5]O[5]CN)(C[5]C[5]C)(CC[6a]Si){2|C<4>}	105.7710	0.000	1	105.7710	0.000	1	105.7710	0.000	1	108.7078	4.353	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:2:4:4:	4:3:3:	C[5]-4:C[5]-3:N-3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C[5]-3:N-3:	C[5](C[5]O[5]CC)(C[5]C[5]N)(NNiC)	C[5](C[5]C[5]N)(O[5]C[5])(CH3)2	C[5](C[5]O[5]CC)(C[5]C[5]N)(NNiO)	C[5](C[5]O[5]CC)(C[5]C[5]N)(NNiC){2|C<4>}	C[5](C[5]C[5]N)(O[5]C[5])(CH3)2{1|N<3>,2|C<4>}	C[5](C[5]O[5]CC)(C[5]C[5]N)(NNiO){2|C<4>}	108.1720	0.267	2	108.1720	0.071	2	109.4420	2.210	4	108.7078	4.353	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:2:4:4:	4:3:3:	C[5]-4:C[5]-3:N-3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C[5]-3:N-3:	C[5](C[5]O[5]CC)(C[5]C[5]N)(NNiO)	C[5](C[5]C[5]N)(O[5]C[5])(CH3)2	C[5](C[5]O[5]CC)(C[5]C[5]N)(NNiC)	C[5](C[5]O[5]CC)(C[5]C[5]N)(NNiO){2|C<4>}	C[5](C[5]C[5]N)(O[5]C[5])(CH3)2{1|N<3>,2|C<4>}	C[5](C[5]O[5]CC)(C[5]C[5]N)(NNiC){2|C<4>}	110.7120	0.328	2	110.7120	0.108	2	109.4420	2.210	4	108.7078	4.353	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:1:1:	3:2:1:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]HH)(C[5]O[5]O)(CHH)	C[5](C[5]C[5]C)(C[5]O[5]O)(H)2	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CHH){1|O<1>}	C[5](C[5]C[5]C)(C[5]O[5]O)(H)2{1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|O<1>,2|H<1>}	107.2100	0.000	1	107.2100	0.000	1	107.2100	0.000	1	107.2100	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:1:1:	3:2:3:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:O[5]-2:N-3:	C[5](C[5]C[5]HH)(C[5]O[5]N)(COO)	C[5](C[5]C[5]C)(C[5]O[5]O)(H)2	C[5](C[5]C[5]C)(O[5]C[5])(NC[6a]H)	C[5](C[5]C[5]HH)(C[5]O[5]N)(COO){1|O<1>}	C[5](C[5]C[5]C)(C[5]O[5]O)(H)2{1|N<3>}	C[5](C[5]C[5]C)(O[5]C[5])(NC[6a]H){1|O<1>,2|H<1>}	108.2000	0.000	1	108.2000	0.000	1	108.2000	0.000	1	108.2000	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:B-3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(BC[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]B)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]B)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(BC[6a]2){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]B)(H)2{2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]B)(H){2|C<3>,3|H<1>}	107.7610	0.195	2	107.7610	0.038	2	107.7610	0.038	2	108.3269	1.333	63	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:B-3:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(BC[6a]2)	C[5](C[5]C[5]B)(C[5]C[5]C)(H)2	C[5](C[5]C[5]B)(C[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(BC[6a]2){1|C<4>,1|H<1>}	C[5](C[5]C[5]B)(C[5]C[5]C)(H)2{2|H<1>}	C[5](C[5]C[5]B)(C[5]C[5]H)(H){1|C<4>,2|H<1>}	106.5470	0.000	1	106.5470	0.000	1	106.5470	0.000	1	108.3269	1.333	63	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(CCH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){2|C<3>,3|H<1>}	109.0150	0.165	2	109.0150	0.027	2	109.0150	0.027	2	108.3269	1.333	63	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){2|C<3>,3|H<1>}	108.7750	0.461	2	108.7750	0.213	2	108.5720	0.327	35	108.3269	1.333	63	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCO){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){2|C<3>,3|H<1>}	109.5520	0.000	1	109.5520	0.000	1	108.5720	0.327	35	108.3269	1.333	63	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5a]H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|O<2>,2|C<3>,2|H<1>}	109.1280	0.000	1	109.2584	0.073	5	108.5720	0.327	35	108.3269	1.333	63	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5a]H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){2|C<3>,3|H<1>}	109.2910	0.300	4	109.2584	0.073	5	108.5720	0.327	35	108.3269	1.333	63	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]2){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){2|C<3>,3|H<1>}	107.7860	0.000	1	107.7860	0.000	1	108.5720	0.327	35	108.3269	1.333	63	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{1|Br<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){2|C<3>,3|H<1>}	107.5200	0.000	1	108.3940	0.234	25	108.5720	0.327	35	108.3269	1.333	63	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){2|C<3>,3|H<1>}	108.4305	0.458	24	108.3940	0.234	25	108.5720	0.327	35	108.3269	1.333	63	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){2|C<3>,3|H<1>}	108.9890	0.000	1	108.9890	0.000	1	108.5720	0.327	35	108.3269	1.333	63	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]Si)	C[5](C[5]C[5]C)(C[5]C[5]O)(H)2	C[5](C[5]C[5]Si)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]Si){1|Si<4>,1|O<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(H)2{1|Si<4>,1|H<1>}	C[5](C[5]C[5]Si)(C[5]C[5]C)(H){1|O<1>,2|H<1>}	105.4580	0.000	1	105.4580	0.000	1	105.4580	0.000	1	108.3269	1.333	63	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:O-1:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCH)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)2	C[5](C[5]C[5]C)2(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCH){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]C)2(O){3|H<1>}	106.5630	0.000	1	106.5630	0.000	1	106.8118	0.102	4	108.3269	1.333	63	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:O-1:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)2	C[5](C[5]C[5]C)(C[5]C[5]H)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]H){2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H)2{1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(O){3|H<1>}	107.1470	0.000	1	107.1470	0.000	1	106.8118	0.102	4	108.3269	1.333	63	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:O-1:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]H)	C[5](C[5]C[5]C)2(H)2	C[5](C[5]C[5]C)(C[5]C[5]H)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]H){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)2(H)2{1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(O){1|C<4>,2|H<1>}	107.0210	0.000	1	107.0210	0.000	1	106.8118	0.102	4	108.3269	1.333	63	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:O-1:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CSiH)	C[5](C[5]C[5]N[5])(C[5]C[5]C)(H)2	C[5](C[5]C[5]C)2(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CSiH){1|C<4>,1|N<3>}	C[5](C[5]C[5]N[5])(C[5]C[5]C)(H)2{1|O<1>,3|C<4>}	C[5](C[5]C[5]C)2(O){1|N<3>,2|H<1>}	106.5160	0.000	1	106.5160	0.000	1	106.8118	0.102	4	108.3269	1.333	63	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCC)	C[5](C[5]C[5]C)(C[5]N[5]O)(H)2	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCC){1|C<3>,1|O<1>}	C[5](C[5]C[5]C)(C[5]N[5]O)(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|O<1>,2|H<1>}	107.9790	0.000	1	107.9790	0.000	1	107.3727	0.132	7	108.3269	1.333	63	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[5]H)	C[5](C[5]C[5]C)(C[5]N[5]O)(H)2	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[5]H){1|C<4>,1|O<1>}	C[5](C[5]C[5]C)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|O<1>,2|H<1>}	107.2600	0.359	2	107.2600	0.129	2	107.3727	0.132	7	108.3269	1.333	63	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]H)	C[5](C[5]C[5]C)(C[5]N[5]O)(H)2	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]H){1|C<4>,1|O<1>}	C[5](C[5]C[5]C)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|O<1>,2|H<1>}	107.2767	0.344	3	107.2767	0.118	3	107.3727	0.132	7	108.3269	1.333	63	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]H)	C[5](C[5]C[5]C)(C[5]N[5]O)(H)2	C[5](C[5]C[5]C)(N[5]C[5]H)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]H){1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(C[5]N[5]O)(H)2{1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(N[5]C[5]H)(O){1|O<1>,2|H<1>}	107.2800	0.000	1	107.2800	0.000	1	107.3727	0.132	7	108.3269	1.333	63	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:H-1:	N[5]-3:C[5]-3:O-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[5]H)	C[5](C[5]C[5]C)(C[5]N[5]O)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[5]H){1|C<3>,1|O<1>}	C[5](C[5]C[5]C)(C[5]N[5]O)(H)2{1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(O){1|O<1>,2|C<3>,2|H<1>}	107.6630	0.000	1	107.6630	0.000	1	107.6630	0.000	1	108.3269	1.333	63	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]HH)(C[5]C[5]H)(CC[6a]C)	C[5](C[5]C[5]C)(N[5]C[5]C)(H)2	C[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](C[5]N[5]HH)(C[5]C[5]H)(CC[6a]C){2|C<3>}	C[5](C[5]C[5]C)(N[5]C[5]C)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]N[5]C)(H){1|C<3>,2|H<1>}	106.5000	0.000	1	106.5000	0.000	1	106.5000	0.000	1	108.3269	1.333	63	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	N[5,5a]-3:C[5]-3:H-1:H-1:	C[5,5a]-3:C[5]-3:O-1:	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	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]C)(O)	C[5](C[5]N[5,5a]HH)(C[5]C[5,5a]O)(CC[5a]H){2|C<3>}	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>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]C)(O){2|C<3>,3|H<1>}	109.3580	0.000	1	109.3580	0.000	1	109.3580	0.000	1	108.3269	1.333	63	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6]C[6]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(O){2|C<3>,2|C<4>,3|H<1>}	108.1940	0.000	1	108.1940	0.000	1	109.1365	1.777	2	108.3269	1.333	63	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6]N[6]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6]N[6]2){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H)2{1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(O){2|C<3>,2|H<1>,3|N<3>}	110.0790	0.000	1	110.0790	0.000	1	109.1365	1.777	2	108.3269	1.333	63	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:Br-1:H-1:	C[5,6a]-3:C[5]-3:Br-1:	C[5](C[5]C[5,6a]BrH)(C[5]C[5,6a]Br)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(Br)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(Br)	C[5](C[5]C[5,6a]BrH)(C[5]C[5,6a]Br)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(Br)(H){1|Br<1>,1|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(Br){1|Br<1>,2|H<1>,4|C<3>}	107.0350	0.000	1	107.0350	0.000	1	107.0350	0.000	1	108.3269	1.333	63	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)2{2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H){3|H<1>,4|C<3>}	110.6660	1.648	4	110.6660	2.715	4	110.6660	2.715	4	108.3269	1.333	63	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:P[5]-3:	C[5,6]-3:C[5]-3:H-1:H-1:	C[5,6]-3:C[5]-3:H-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(P[5]P[5]2)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]P[5])(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]P[5])(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(P[5]P[5]2){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]P[5])(H)2{1|H<1>,2|C<3>,2|P<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]P[5])(H){1|C<2>,1|C<3>,2|P<3>,3|H<1>}	108.6700	0.000	1	108.6700	0.000	1	108.6700	0.000	1	108.3269	1.333	63	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:1:1:	3:3:2:	C[5]-4:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:O-2:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OFe)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OFe){2|C<3>,3|H<1>}	108.0830	0.000	1	108.0830	0.000	1	108.0830	0.000	1	108.0830	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:1:1:	3:3:3:	C[5]-4:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:N-3:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(CCO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NHH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(CCO){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NHH){2|C<3>,3|H<1>}	109.6080	0.000	1	109.6080	0.000	1	109.6080	0.000	1	109.6268	0.582	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:1:1:	3:3:3:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCN)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)2	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]C)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCN){2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]C){3|H<1>}	109.8443	0.600	3	109.8443	0.361	3	109.8443	0.361	3	109.6268	0.582	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:1:1:	3:3:3:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:H-1:	N[5]-3:C[5]-3:N-3:	C[5](C[5]C[5]HH)(C[5]N[5]N)(COO)	C[5](C[5]C[5]C)(C[5]N[5]O)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(NHH)	C[5](C[5]C[5]HH)(C[5]N[5]N)(COO){1|C<3>,1|O<1>}	C[5](C[5]C[5]C)(C[5]N[5]O)(H)2{1|C<3>,1|N<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(NHH){1|O<1>,2|C<3>,2|H<1>}	108.3490	0.000	1	108.3490	0.000	1	108.3490	0.000	1	109.6268	0.582	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:1:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]C)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)2{1|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]C){3|H<1>,4|C<3>}	110.2710	0.000	1	110.2710	0.000	1	110.2710	0.000	1	109.6268	0.582	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:1:1:	3:3:4:	C[5]-4:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(CHO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(CHO){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{1|Cl<1>,1|C<4>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){2|C<3>,3|H<1>}	111.5600	0.000	1	111.5600	0.000	1	111.5600	0.000	1	110.1664	2.494	22	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:1:1:	3:3:4:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]H)	C[5](C[5]C[5]C)(C[5]C[5]O)(H)2	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]HH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]H){1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]HH){1|O<1>,2|H<1>}	108.0500	0.000	1	108.0500	0.000	1	107.8225	1.410	4	110.1664	2.494	22	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:1:1:	3:3:4:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]H)	C[5](C[5]C[5]C)(C[5]C[5]O)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]H){1|C<3>,1|O<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CH3){1|O<1>,2|C<3>,2|H<1>}	106.9840	0.000	1	106.9840	0.000	1	107.8225	1.410	4	110.1664	2.494	22	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:1:1:	3:3:4:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHN)	C[5](C[5]C[5]C)(C[5]C[5]O)(H)2	C[5](C[5]C[5]C)2(CCHH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHN){1|C<4>,1|O<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(H)2{2|C<4>}	C[5](C[5]C[5]C)2(CCHH){1|O<1>,2|H<1>}	106.8460	0.000	1	106.8460	0.000	1	107.8225	1.410	4	110.1664	2.494	22	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:1:1:	3:3:4:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(COO)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)2	C[5](C[5]C[5]C)(C[5]C[5]H)(CCHH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(COO){1|C<3>,1|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CCHH){1|C<3>,2|H<1>}	109.4100	0.000	1	109.4100	0.000	1	107.8225	1.410	4	110.1664	2.494	22	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:1:1:	3:3:4:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]N[5]C)(CCO)	C[5](C[5]C[5]C)(C[5]N[5]O)(H)2	C[5](C[5]C[5]C)(N[5]C[5]H)(CH3)	C[5](C[5]C[5]HH)(C[5]N[5]C)(CCO){1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]H)(CH3){1|O<1>,2|H<1>}	108.3240	0.000	1	108.3240	0.000	1	108.8733	0.354	3	110.1664	2.494	22	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:1:1:	3:3:4:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]N[5]C)(COO)	C[5](C[5]C[5]C)(C[5]N[5]O)(H)2	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]C[5]HH)(C[5]N[5]C)(COO){1|C<4>,1|O<1>}	C[5](C[5]C[5]C)(C[5]N[5]O)(H)2{2|C<4>}	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3){1|O<1>,2|H<1>}	109.5060	0.000	1	109.5060	0.000	1	108.8733	0.354	3	110.1664	2.494	22	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:1:1:	3:3:4:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]N[5]C)(COO)	C[5](C[5]C[5]C)(C[5]N[5]O)(H)2	C[5](C[5]C[5]C)(N[5]C[5]H)(CH3)	C[5](C[5]C[5]HH)(C[5]N[5]C)(COO){1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]H)(CH3){1|O<1>,2|H<1>}	108.7900	0.000	1	108.7900	0.000	1	108.8733	0.354	3	110.1664	2.494	22	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:1:1:	3:3:4:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]HH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(C[6a]C[6a]2){2|F<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]HH){3|H<1>,4|C<3>}	111.1195	0.087	2	111.1195	0.008	2	111.1195	0.008	2	110.1664	2.494	22	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:1:1:	3:3:4:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:P-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(PC[6]2Ru)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(C[6a]C[6a]2){2|C<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)2{1|H<1>,1|P<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(PC[6]2Ru){3|H<1>,4|C<3>}	109.5180	0.000	1	109.5180	0.000	1	109.5180	0.000	1	110.1664	2.494	22	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:1:1:	3:3:4:	C[5]-4:C[5]-3:N-3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:P-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(NCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PCCS)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(NCC){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H)2{1|H<1>,1|P<4>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PCCS){2|C<3>,3|H<1>}	110.1700	0.000	1	110.1700	0.000	1	110.7773	0.349	7	110.1664	2.494	22	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:1:1:	3:3:4:	C[5]-4:C[5]-3:N-3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:P-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(NCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PIrCC)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(NCC){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H)2{1|H<1>,1|P<4>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PIrCC){2|C<3>,3|H<1>}	110.7550	0.000	1	110.7550	0.000	1	110.7773	0.349	7	110.1664	2.494	22	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:1:1:	3:3:4:	C[5]-4:C[5]-3:N-3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:P-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(NCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PRuCC)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(NCC){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H)2{1|H<1>,1|P<4>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PRuCC){2|C<3>,3|H<1>}	110.9032	0.642	5	110.9032	0.412	5	110.7773	0.349	7	110.1664	2.494	22	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:1:1:	3:3:4:	C[5]-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(N[5]C[5]2)	C[5](C[5]C[5]N[5])(C[5]C[5]C)(H)2	C[5](C[5]C[5]N[5])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(N[5]C[5]2){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[5]C[5]N[5])(C[5]C[5]C)(H)2{1|O<1>,3|C<4>}	C[5](C[5]C[5]N[5])(C[5]C[5]O)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	111.4480	0.000	1	111.4480	0.000	1	111.4480	0.000	1	110.1664	2.494	22	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:1:1:	3:3:4:	C[5]-4:C[5]-3:S-3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:P-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(SIrC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(PIrCC)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(SIrC){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(H)2{1|H<1>,1|P<4>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(PIrCC){2|C<3>,3|H<1>}	112.7740	0.000	1	112.7740	0.000	1	111.8483	0.709	3	110.1664	2.494	22	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:1:1:	3:3:4:	C[5]-4:C[5]-3:S-3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:P-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(SPtC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(PPtCC)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(SPtC){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(H)2{1|H<1>,1|P<4>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(PPtCC){2|C<3>,3|H<1>}	111.3855	0.364	2	111.3855	0.133	2	111.8483	0.709	3	110.1664	2.494	22	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]N[5]HH)(C[5]C[5]H)(CCH)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(H)	C[5](C[5]N[5]HH)(C[5]C[5]H)(CCH){1|S<4>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{3|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(H){1|S<4>,2|H<1>}	110.9420	0.000	1	110.9420	0.000	1	111.6600	1.031	2	110.9057	2.223	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]N[5]HH)(C[5]C[5]H)(COO)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	C[5](C[5]N[5]CH)(C[5]C[5]C)(H)	C[5](C[5]N[5]HH)(C[5]C[5]H)(COO){1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<4>,2|H<1>}	C[5](C[5]N[5]CH)(C[5]C[5]C)(H){1|S<4>,2|H<1>}	112.3780	0.000	1	112.3780	0.000	1	111.6600	1.031	2	110.9057	2.223	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]N[5]HH)(C[5]C[5]2)(C[5]C[5]H)	C[5](C[5]C[5]2)(N[5]C[5]S)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]2)(H)	C[5](C[5]N[5]HH)(C[5]C[5]2)(C[5]C[5]H){1|O<1>,1|S<4>,2|H<1>,3|C<4>}	C[5](C[5]C[5]2)(N[5]C[5]S)(H)2{2|C<3>,3|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]2)(H){1|S<4>,2|C<3>,2|H<1>}	109.3970	0.000	1	109.3970	0.000	1	109.3970	0.000	1	110.9057	2.223	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:1:1:	4:3:3:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5]C[5]HH)(C[5]C[5]2)(CCH)	C[5](C[5]C[5]C)(C[5]C[5]O)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)2	C[5](C[5]C[5]HH)(C[5]C[5]2)(CCH){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]C)(C[5]C[5]O)(H)2{2|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	106.8600	0.000	1	106.8600	0.000	1	106.8600	0.000	1	109.4533	2.270	11	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:1:1:	4:3:3:	C[5]-4:C[5]-3:C-3:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH)	C[5](C[5]C[5]C)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH){1|C<4>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]C)(H)2{1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH){1|C<4>,2|H<1>}	109.8967	0.108	4	109.8967	0.012	4	109.7126	1.701	10	109.4533	2.270	11	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:1:1:	4:3:3:	C[5]-4:C[5]-3:C-3:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CC[6a]C)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH){1|S<4>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(CC[6a]C){1|S<4>,2|H<1>}	107.0850	0.000	1	107.0850	0.000	1	109.7126	1.701	10	109.4533	2.270	11	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:1:1:	4:3:3:	C[5]-4:C[5]-3:C-3:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCO)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CC[5]H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCO){1|S<4>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(CC[5]H){1|S<4>,2|H<1>}	111.6500	0.000	1	111.6500	0.000	1	109.7126	1.701	10	109.4533	2.270	11	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:1:1:	4:3:3:	C[5]-4:C[5]-3:C-3:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CC[5]H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCO)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CC[5]H){1|S<4>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCO){1|S<4>,2|H<1>}	110.1480	0.000	1	110.1480	0.000	1	109.7126	1.701	10	109.4533	2.270	11	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:1:1:	4:3:3:	C[5]-4:C[5]-3:C-3:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CC[6a]C)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CC[6a]C){1|S<4>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH){1|S<4>,2|H<1>}	107.8790	0.000	1	107.8790	0.000	1	109.7126	1.701	10	109.4533	2.270	11	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:1:1:	4:3:3:	C[5]-4:C[5]-3:C-3:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CFeC)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CFeC)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CFeC){1|S<4>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(CFeC){1|S<4>,2|H<1>}	110.3885	0.112	2	110.3885	0.013	2	109.7126	1.701	10	109.4533	2.270	11	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:1:1:	4:3:4:	C[5]-4:C[5]-3:C-3:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCCH)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH){1|S<4>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCCH){1|S<4>,2|H<1>}	111.1360	0.000	1	111.1360	0.000	1	110.8310	0.186	2	110.8310	0.186	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:1:1:	4:3:4:	C[5]-4:C[5]-3:C-3:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH){1|S<4>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH){1|S<4>,2|H<1>}	110.5260	0.000	1	110.5260	0.000	1	110.8310	0.186	2	110.8310	0.186	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:O-2:H-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(CCH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|O<2>,2|C<3>,2|H<1>}	108.9495	0.087	2	108.9495	0.008	2	108.3447	1.101	3	108.7131	0.727	7	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:O-2:H-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(CC[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(CC[6a]2){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OC)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|O<2>,2|C<3>,2|H<1>}	107.1350	0.000	1	107.1350	0.000	1	108.3447	1.101	3	108.7131	0.727	7	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:N-2:H-1:	N[5]-3:C[5]-3:O-1:	C[5](C[5]C[5]HN)(C[5]N[5]O)(CC[6a]H)	C[5](C[5]C[5]C)(C[5]N[5]O)(NC)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(O)	C[5](C[5]C[5]HN)(C[5]N[5]O)(CC[6a]H){1|C<3>,1|O<1>}	C[5](C[5]C[5]C)(C[5]N[5]O)(NC)(H){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(O){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	109.7150	0.000	1	109.7150	0.000	1	109.7150	0.000	1	108.7131	0.727	7	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:O-2:H-1:	C[5]-3:C[5]-3:O-1:	C[5](C[5]C[5]HO)(C[5]C[5]O)(CCN)	C[5](C[5]C[5]C)(C[5]C[5]H)(OH)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(O)	C[5](C[5]C[5]HO)(C[5]C[5]O)(CCN){2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(OH)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(O){1|O<2>,2|H<1>}	108.6240	0.000	1	108.6240	0.000	1	108.6240	0.000	1	108.7131	0.727	7	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:O-2:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]HO)(C[5]N[5]O)(CCN)	C[5](C[5]C[5]C)(C[5]N[5]O)(OH)(H)	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	C[5](C[5]C[5]HO)(C[5]N[5]O)(CCN){1|C<4>,1|O<1>}	C[5](C[5]C[5]C)(C[5]N[5]O)(OH)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|H<1>,1|O<1>,1|O<2>}	109.4110	0.000	1	109.4110	0.000	1	109.4110	0.000	1	108.7131	0.727	7	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(H){1|H<1>,3|C<3>}	108.2080	0.000	1	108.2080	0.000	1	108.2080	0.000	1	108.7131	0.727	7	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:2:1:	3:3:2:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]O)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H)	C[5](C[5]C[5]C)(C[5]O[5]O)(OC)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]O)(COO){1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H){1|C<2>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5]C)(C[5]O[5]O)(OC){1|C<3>,1|H<1>}	109.6840	0.000	1	109.6840	0.000	1	109.6840	0.000	1	109.6840	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:2:1:	3:3:3:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(CCH)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H)	C[5](C[5]C[5]C)(C[5]O[5]O)(CCH)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(CCH){1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5]C)(C[5]O[5]O)(CCH){1|C<3>,1|H<1>}	107.7280	0.000	1	107.7280	0.000	1	106.2855	4.162	2	106.2855	4.162	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:2:1:	3:3:3:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(CHH)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5])(C[5]C[5]C)(COO)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(CHH){3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H){2|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5])(C[5]C[5]C)(COO){1|H<1>,3|C<3>}	104.8430	0.000	1	104.8430	0.000	1	106.2855	4.162	2	106.2855	4.162	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:2:1:	3:3:4:	C[5]-4:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:O-2:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]C)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]C)(COO){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){1|O<2>,2|C<3>,2|H<1>}	111.9300	0.000	1	111.9300	0.000	1	111.9300	0.000	1	109.6563	2.523	14	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:2:1:	3:3:4:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:O-2:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HO)(C[5]C[5]C)(CCC)	C[5](C[5]C[5]C)(C[5]C[5]O)(OC)(H)	C[5](C[5]C[5]Si)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]HO)(C[5]C[5]C)(CCC){1|Si<4>,1|O<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(OC)(H){1|Si<4>,1|C<4>}	C[5](C[5]C[5]Si)(C[5]C[5]C)(CCHH){1|H<1>,1|O<1>,1|O<2>}	105.0520	0.000	1	105.0520	0.000	1	105.0520	0.000	1	109.6563	2.523	14	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:2:1:	3:3:4:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(CCC)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)(O[5]C[5])(H)	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(CCC){1|O<1>,2|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3){1|C<3>,1|H<1>}	108.6020	0.000	1	108.6020	0.000	1	109.0960	0.488	2	109.6563	2.523	14	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:2:1:	3:3:4:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(CCH)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H)	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(CCH){1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3){1|C<3>,1|H<1>}	109.5900	0.000	1	109.5900	0.000	1	109.0960	0.488	2	109.6563	2.523	14	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:2:1:	3:3:4:	C[5]-4:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]2)(C[5]C[5]C)	C[5](C[6a]C[6a]2)(C[5]C[5]2)(O[5]C[5])(H)	C[5](C[5]C[5]2)(C[5]O[5]O)(CCHH)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]2)(C[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]2)(O[5]C[5])(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5]2)(C[5]O[5]O)(CCHH){1|C<4>,1|H<1>,2|C<3>}	109.9315	0.466	6	109.9315	0.217	6	109.9315	0.217	6	109.6563	2.523	14	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:2:1:	3:3:4:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:O-2:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCHH)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(OH)(H){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCHH){1|O<2>,2|H<1>,4|C<3>}	109.9885	1.155	2	109.9885	1.333	2	109.9885	1.333	2	109.6563	2.523	14	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:2:1:	3:3:4:	C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:O-2:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]C)(N[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(OC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CCHH)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]C)(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(OC)(H){1|H<1>,2|C<4>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CCHH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	111.1120	0.000	1	111.1120	0.000	1	111.1120	0.000	1	109.6563	2.523	14	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:2:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(CCHH)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(CCHH){1|H<1>,3|C<3>}	109.3360	0.000	1	109.3360	0.000	1	109.3360	0.000	1	109.6563	2.523	14	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:2:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]H)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H)	C[5](C[5]O[5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]H)(COO){2|C<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H){2|C<2>,2|C<3>,3|H<1>}	C[5](C[5]O[5]CC)(C[5]C[5]C)(H){1|C<3>,1|H<1>}	111.8560	0.000	1	111.8560	0.000	1	111.8560	0.000	1	113.7745	14.819	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:2:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-3:S[5]-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[6a]S[5]H)(C[5]C[5]H)(CHO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(S[5]C[5])(H)	C[5](C[5]S[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[6a]S[5]H)(C[5]C[5]H)(CHO){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(S[5]C[5])(H){1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]S[5]HH)(C[5]C[5]C)(H){1|C<3>,1|H<1>}	116.9795	0.245	2	116.9795	0.060	2	116.9795	0.060	2	113.7745	14.819	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:2:1:	4:3:1:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[6a]O[5]H)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[5](C[5,6]O[5]S[6]2)(C[5]C[6a]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5,6]H)(C[6a]C[6a]2){2|H<1>,2|S<2>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6])(H){2|S<2>,3|H<1>,4|C<3>}	C[5](C[5,6]O[5]S[6]2)(C[5]C[6a]C[5])(H){1|H<1>,2|C<4>,3|C<3>}	109.2830	0.000	1	109.2830	0.000	1	109.2830	0.000	1	113.7745	14.819	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:2:1:	4:3:3:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H)	C[5](C[5]O[5]CC)(C[5]C[5]C)(COO)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(COO){1|C<4>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H){1|C<2>,1|C<4>,1|H<1>,4|C<3>}	C[5](C[5]O[5]CC)(C[5]C[5]C)(COO){1|C<3>,1|H<1>}	110.1480	0.000	1	110.1480	0.000	1	110.1480	0.000	1	110.1480	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:2:1:	4:3:4:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H)	C[5](C[5]O[5]CC)(C[5]C[5]C)(CH3)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(COO){2|C<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H){1|C<4>,2|C<2>,2|C<3>,2|H<1>}	C[5](C[5]O[5]CC)(C[5]C[5]C)(CH3){1|C<3>,1|H<1>}	112.6145	0.114	2	112.6145	0.013	2	112.6145	0.013	2	112.6145	0.013	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:2:2:	3:3:3:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-3:O[5]-2:O-2:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[6a]O[5]O)(C[5]C[5]C)(CCH)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(OH)	C[5](C[5]C[6a]O[5])(C[5]C[5]C)(CC[6a]O)	C[5](C[5]C[6a]O[5]O)(C[5]C[5]C)(CCH){3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(OH){2|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5])(C[5]C[5]C)(CC[6a]O){1|O<2>,3|C<3>}	106.5600	0.000	1	106.5600	0.000	1	106.5600	0.000	1	107.5540	1.976	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:2:2:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:O[5]-2:O-2:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]O[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(OH)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O)	C[5](C[5]C[6a]O[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(OH){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O){1|O<2>,2|H<1>,5|C<3>}	108.5480	0.000	1	108.5480	0.000	1	108.5480	0.000	1	107.5540	1.976	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:2:2:	3:4:4:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:O[5]-2:O-2:	C[5]-3:C[5]-4:C-4:	C[5](C[5]C[6a]O[5]O)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(OH)	C[5](C[5]C[6a]C[5])(C[5]O[5]CO)(CCFF)	C[5](C[5]C[6a]O[5]O)(C[6a]C[6a]2)(C[5]C[5]C){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(OH){1|H<1>,1|O<2>,3|C<4>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]O[5]CO)(CCFF){1|O<2>,3|C<3>}	108.8590	0.154	2	108.8590	0.024	2	108.8590	0.024	2	108.8590	0.024	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:2:3:	3:3:1:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:O-2:C-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(OC[6])(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(OC[6])(COO){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H){1|H<1>,1|O<2>,5|C<3>}	109.0690	0.000	1	109.0690	0.000	1	109.0690	0.000	1	108.3770	0.958	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:2:3:	3:3:1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:O[5]-2:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(COO)	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(H)	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(COO){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(H){4|C<3>}	107.6850	0.000	1	107.6850	0.000	1	107.6850	0.000	1	108.3770	0.958	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:2:3:	3:4:1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:O[5]-2:C-3:	C[5]-3:C[5]-4:H-1:	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(COO)	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(H)	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]H){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(COO){4|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(H){4|C<3>}	108.2310	0.000	1	108.2310	0.000	1	108.2310	0.000	1	108.2310	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:2:3:	4:3:1:	C[5]-4:C[5]-3:N-3:	C[6a]-3:C[5]-3:S[5]-2:C-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[6a]S[5]C)(C[5]C[5]H)(NOO)	C[5](C[6a]C[6a]2)(C[5]C[5]N)(S[5]C[5])(COO)	C[5](C[5]S[5]HH)(C[5]C[5]N)(H)	C[5](C[5]C[6a]S[5]C)(C[5]C[5]H)(NOO){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]N)(S[5]C[5])(COO){2|C<3>,5|H<1>}	C[5](C[5]S[5]HH)(C[5]C[5]N)(H){2|C<3>}	120.3290	0.000	1	120.3290	0.000	1	120.3290	0.000	1	120.3290	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:2:3:	4:3:3:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-3:O[5]-2:C-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[6a]O[5]C)(C[5]C[5]C)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(CC[6a]O)	C[5](C[5]O[5]OO)(C[5]C[5]C)(COO)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]C)(COO){2|C<3>,2|O<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(CC[6a]O){2|H<1>,2|O<2>,3|C<3>}	C[5](C[5]O[5]OO)(C[5]C[5]C)(COO){2|C<3>}	109.8370	0.000	1	109.8370	0.000	1	109.8370	0.000	1	108.9190	1.685	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:2:3:	4:3:3:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-3:O[5]-2:C-3:	C[5]-4:C[5]-3:N-3:	C[5](C[5]C[6a]O[5]C)(C[5]C[5]N)(CC[5a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(CCH)	C[5](C[5]O[5]HH)(C[5]C[5]C)(NCH)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]N)(CC[5a]O){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(CCH){1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]C)(NCH){2|C<3>}	108.0010	0.000	1	108.0010	0.000	1	108.0010	0.000	1	108.9190	1.685	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:2:4:	3:3:3:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[6a]O[5]C)(C[5]C[5]C)(CHH)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(CH3)	C[5](C[5]C[6a]O[5])(C[5]C[5]C)(COO)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]C)(CHH){3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(CH3){2|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5])(C[5]C[5]C)(COO){1|C<4>,3|C<3>}	105.6590	0.000	1	105.6590	0.000	1	107.5675	7.285	2	108.6582	2.460	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:2:4:	3:3:3:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[6a]O[5]C)(C[5]C[5]C)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(CBrHH)	C[5](C[5]C[5]C)(C[5]O[5]N)(COO)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]C)(COO){1|N<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(CBrHH){1|N<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5]C)(C[5]O[5]N)(COO){1|C<3>,1|C<4>}	109.4760	0.000	1	109.4760	0.000	1	107.5675	7.285	2	108.6582	2.460	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:2:4:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:O[5]-2:C-4:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]O[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(CCHH)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O)	C[5](C[5]C[6a]O[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(CCHH){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O){1|C<4>,2|H<1>,5|C<3>}	109.6480	0.000	1	109.6480	0.000	1	109.2035	0.482	4	108.6582	2.460	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:2:4:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:O[5]-2:C-4:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]O[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(CH3)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]C)	C[5](C[5]C[6a]O[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(CH3){1|Cl<1>,1|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]C){1|C<4>,2|H<1>,5|C<3>}	109.8650	0.000	1	109.8650	0.000	1	109.2035	0.482	4	108.6582	2.460	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:2:4:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:O[5]-2:C-4:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]O[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(CH3)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O)	C[5](C[5]C[6a]O[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(CH3){1|Cl<1>,1|H<1>,1|O<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O){1|C<4>,2|H<1>,5|C<3>}	108.6505	0.445	2	108.6505	0.198	2	109.2035	0.482	4	108.6582	2.460	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:1:	3:2:1:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]H)	C[5](C[5]C[5]C)(C[5]O[5]O)(CCC)(H)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]H){1|O<1>}	C[5](C[5]C[5]C)(C[5]O[5]O)(CCC)(H){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|H<1>,1|O<1>}	105.6440	0.000	1	105.6440	0.000	1	105.6440	0.000	1	104.7733	0.569	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:1:	3:2:1:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-2:H-1:	C[5](C[5]C[6a]N[5]H)(C[5]N[5]H)(CC[6a]2)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]S)(H)	C[5](C[5]C[5]C)(N[5]N[5])(H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]H)(CC[6a]2){1|S<4>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]S)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5]C)(N[5]N[5])(H){1|C<3>,1|H<1>,1|S<4>}	104.3380	0.006	2	104.3380	0.000	2	104.3380	0.000	2	104.7733	0.569	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:1:	3:2:2:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:H-1:	C[5]-3:S[5]-2:S-2:	C[5](C[5]C[6a]C[5]H)(C[5]S[5]S)(CCO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]S[5]C)(H)	C[5](C[5]C[5]C)(S[5]C[5])(SC)	C[5](C[5]C[6a]C[5]H)(C[5]S[5]S)(CCO){3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]S[5]C)(H){1|S<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]C)(S[5]C[5])(SC){1|H<1>,2|C<3>}	115.2290	0.000	1	115.2290	0.000	1	115.2290	0.000	1	115.2290	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:1:	3:2:3:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-3:O[5]-2:C-3:	C[5](C[5]C[6a]N[5]H)(C[5]O[5]C)(CC[6a]O)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)(N[5]O[5]C)(H)	C[5](C[5]C[5]C)(O[5]N[5])(CC[6a]O)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]C)(CC[6a]O){1|C<4>,2|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)(N[5]O[5]C)(H){1|H<1>,4|C<3>}	C[5](C[5]C[5]C)(O[5]N[5])(CC[6a]O){1|C<3>,1|C<4>,1|H<1>}	107.3410	0.000	1	107.3410	0.000	1	107.7820	0.389	2	107.7820	0.389	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:1:	3:2:3:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-3:O[5]-2:C-3:	C[5](C[5]C[6a]N[5]H)(C[5]O[5]C)(CC[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]O[5]C)(H)	C[5](C[5]C[5]C)(O[5]N[5])(CC[6a]O)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]C)(CC[6a]O){1|C<4>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]O[5]C)(H){2|H<1>,3|C<3>}	C[5](C[5]C[5]C)(O[5]N[5])(CC[6a]O){1|C<3>,1|C<4>,1|H<1>}	108.2230	0.000	1	108.2230	0.000	1	107.7820	0.389	2	107.7820	0.389	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:N-3:H-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]O)(CC[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]O)(CC[6a]2){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NCH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|N<3>,2|C<3>,2|H<1>}	107.6240	0.000	1	107.6240	0.000	1	107.4220	0.082	2	109.0287	0.822	30	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:N-3:H-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]O)(CC[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NHS)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]O)(CC[6a]2){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NHS)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|N<3>,2|C<3>,2|H<1>}	107.2200	0.000	1	107.2200	0.000	1	107.4220	0.082	2	109.0287	0.822	30	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(CCN)	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(CCN){4|C<3>}	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	109.5610	0.000	1	109.5610	0.000	1	108.8131	0.148	7	109.0287	0.822	30	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(CC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(CC[6a]H){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){2|H<1>,3|C<3>}	108.6885	0.216	6	108.6885	0.047	6	108.8131	0.148	7	109.0287	0.822	30	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]H)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H)	C[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]H)(COO){1|S<4>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H){1|Br<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5]C)(C[5]N[5]C)(H){1|C<3>,1|H<1>,1|S<4>}	111.7630	0.000	1	111.7630	0.000	1	111.7630	0.000	1	109.0287	0.822	30	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[6a]N[5]H)(C[5]N[5]H)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]C)(H)	C[5](C[5]C[5]C)(N[5]N[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]H)(COO){4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]C)(H){3|C<3>,3|H<1>}	C[5](C[5]C[5]C)(N[5]N[5]C)(H){1|H<1>,2|C<3>}	110.3603	0.184	3	110.3603	0.034	3	110.3603	0.034	3	109.0287	0.822	30	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	N[5,5]-3:C[6a]-3:C[5]-3:H-1:	N[5,5]-3:C[5]-3:H-1:	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]H)(CCO)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]C)(H)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]H)(CCO){1|C<4>,3|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,4|C<3>,4|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]C)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	109.9700	0.000	1	109.7885	0.066	2	109.7885	0.066	2	109.0287	0.822	30	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	N[5,5]-3:C[6a]-3:C[5]-3:H-1:	N[5,5]-3:C[5]-3:H-1:	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]H)(CCO)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]C)(H)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]H)(CCO){1|C<4>,3|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){2|C<4>,3|C<3>,4|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]C)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	109.6070	0.000	1	109.7885	0.066	2	109.7885	0.066	2	109.0287	0.822	30	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[5]C[5]2){1|H<1>,1|O<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O){1|C<4>,2|H<1>,4|C<3>}	108.8554	0.270	12	108.7979	0.110	13	108.7979	0.110	13	109.0287	0.822	30	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[5]C[5]2){1|H<1>,2|O<2>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O){2|C<4>,2|H<1>,3|C<3>}	108.1080	0.000	1	108.7979	0.110	13	108.7979	0.110	13	109.0287	0.822	30	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:I-1:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]I)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(I)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]I)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|I<1>,3|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(I){2|H<1>,5|C<3>}	108.0040	0.000	1	108.0040	0.000	1	108.0040	0.000	1	109.0287	0.822	30	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H){1|O<2>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(H){1|H<1>,4|C<3>}	109.5260	0.000	1	109.5260	0.000	1	109.5260	0.000	1	109.0287	0.822	30	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:1:	3:3:2:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[6a]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCrO)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(OC)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCrO){1|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(OC){1|H<1>,2|C<3>}	107.2820	0.000	1	107.2820	0.000	1	107.2820	0.000	1	108.1299	6.604	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:1:	3:3:2:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(CC[6a]2)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]S)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(CC[6a]2){1|S<4>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]S)(H){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]){1|S<4>,3|C<3>,3|H<1>}	105.0550	0.000	1	105.0550	0.000	1	104.7390	0.200	2	108.1299	6.604	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:1:	3:3:2:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(CC[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)(N[5]N[5]S)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(CC[6a]H){1|S<4>,4|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)(N[5]N[5]S)(H){1|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]){1|S<4>,3|C<3>,3|H<1>}	104.4230	0.000	1	104.4230	0.000	1	104.7390	0.200	2	108.1299	6.604	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:1:	3:3:2:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:O[5]-2:	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5])(CC[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]O[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5])(CC[6a]O){1|C<4>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]O[5]C)(H){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]N[5]){1|C<4>,3|C<3>,3|H<1>}	107.4120	0.000	1	107.4120	0.000	1	107.4120	0.000	1	108.1299	6.604	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:1:	3:3:2:	C[5]-4:C[5]-3:C-3:	N[5]-3:C[6a]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]O)(COO)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]N[5]O)(OH)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]O)(COO){1|O<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[5]C)(C[5]N[5]O)(OH){1|H<1>,2|C<3>}	109.8990	0.301	2	109.8990	0.091	2	109.8990	0.091	2	108.1299	6.604	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:1:	3:3:2:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:N-3:H-1:	C[5,6a]-3:C[5]-3:C-2:	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(NCS)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CN)	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(NCS)(H){1|C<2>,1|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CN){1|N<3>,2|H<1>,4|C<3>}	109.1410	0.000	1	109.1410	0.000	1	109.1410	0.000	1	108.1299	6.604	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:1:	3:3:2:	C[5]-4:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-2:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C)(NHS)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]N)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CC)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C)(NHS){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]N)(H){1|C<2>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CC){2|H<1>,3|C<3>}	111.9280	0.000	1	111.9280	0.000	1	111.9280	0.000	1	108.1299	6.604	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:1:	3:3:3:	C[5]-4:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:N-3:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]N)(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NHH)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]N)(CC[6a]O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|N<3>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NHH){2|H<1>,3|C<3>}	110.2020	0.000	1	110.2020	0.000	1	110.2020	0.000	1	110.1845	1.231	12	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:1:	3:3:3:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(COO){1|S<4>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]C)(H){1|S<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S){3|H<1>,4|C<3>}	111.3460	0.000	1	111.3460	0.000	1	111.3460	0.000	1	110.1845	1.231	12	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:1:	3:3:3:	C[5]-4:C[5]-3:C-3:	N[5,5]-3:C[6a]-3:C[5]-3:H-1:	N[5,5]-3:C[6a]-3:C[5]-3:	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]C[6a])(COW)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]C[6a])(COW){1|C<4>,5|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,3|H<1>,5|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	109.9110	0.000	1	109.9110	0.000	1	109.9110	0.000	1	110.1845	1.231	12	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:1:	3:3:3:	C[5]-4:C[5]-3:C-3:	N[5,5a]-3:C[5]-3:C-3:H-1:	N[5,5a]-3:C[5]-3:N-3:	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)	C[5](N[5,5a]N[5,5a]C[5a])(C[5]C[5]C)(NCH)	C[5](C[5]N[5,5a]CH)(C[5]N[5,5a]N)(COO){2|C<3>}	C[5](N[5,5a]N[5,5a]C[5a])(C[5]C[5]C)(COO)(H){1|N<3>,3|C<3>}	C[5](N[5,5a]N[5,5a]C[5a])(C[5]C[5]C)(NCH){1|H<1>,1|O<1>,3|C<3>}	110.8070	0.000	1	110.8070	0.000	1	110.8070	0.000	1	110.1845	1.231	12	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:1:	3:3:3:	C[5]-4:C[5]-3:C-3:	N[5,6a]-3:C[6a]-3:C[5]-3:H-1:	N[5,6a]-3:C[5]-3:N-3:	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)	C[5](N[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(NHH)	C[5](C[5]N[5,6a]C[6a]H)(C[5]N[5,6a]N)(COO){4|C<3>}	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>}	C[5](N[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(NHH){1|H<1>,1|O<1>,3|C<3>}	110.9450	0.000	1	110.9450	0.000	1	110.9450	0.000	1	110.1845	1.231	12	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:1:	3:3:3:	C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[6a])(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[6a])(C[5]C[5]2){2|C<4>,9|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(H){1|C<4>,3|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2){1|C<4>,4|H<1>,6|C<3>}	109.4260	0.000	1	109.4260	0.000	1	109.4260	0.000	1	110.1845	1.231	12	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6]-3:C[5]-3:C[6a]-3:H-1:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	C[5](C[5,6]C[6,6a]C[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]O[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]C[6a])(C[6a]C[6a]2){1|O<2>,2|H<1>,7|C<3>}	C[5](C[5,6]C[6,6a]C[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,7|C<3>}	C[5](C[5,6]C[5,6]O[6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|Si<4>,3|H<1>,6|C<3>}	110.1920	0.000	1	110.1920	0.000	1	110.1920	0.000	1	110.1845	1.231	12	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(H){2|H<1>,8|C<3>}	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2){3|H<1>,8|C<3>}	109.1672	0.104	4	109.1672	0.011	4	109.1672	0.011	4	110.1845	1.231	12	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:1:	3:3:3:	C[5]-4:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[6a])(NCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]N)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]N)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[6a])(NCH){6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]N)(H){3|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]N){4|H<1>,5|C<3>}	112.7160	0.000	1	112.7160	0.000	1	112.7160	0.000	1	110.1845	1.231	12	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:1:	3:3:4:	C[5]-4:C[5]-3:C-3:	C[5,5a]-3:C[6a]-3:C[5]-3:H-1:	C[5,5a]-3:C[5]-3:C-4:	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]C)(CCO)	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]C)(CH3)	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]C)(CCO){1|N<3>,3|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]C)(CH3){1|H<1>,1|N<3>,3|C<3>}	111.2690	0.000	1	111.2690	0.000	1	111.2690	0.000	1	110.8150	0.218	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:1:	3:3:4:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(COO)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCO)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]CH)(C[5]C[5]C)(COO){1|C<3>,1|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCO)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3){1|H<1>,2|C<3>}	110.5350	0.665	2	110.5350	0.442	2	110.5350	0.442	2	110.8150	0.218	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:1:	3:3:4:	C[5]-4:C[5]-3:C-3:	N[5,6a]-3:C[6a]-3:C[5]-3:H-1:	N[5,6a]-3:C[5]-3:C-4:	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)	C[5](N[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(CH3)	C[5](C[5]N[5,6a]C[6a]H)(C[5]N[5,6a]C)(CCO){4|C<3>}	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>}	C[5](N[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(CH3){1|H<1>,1|O<1>,3|C<3>}	110.8680	0.250	2	110.8680	0.063	2	110.8680	0.063	2	110.8150	0.218	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:1:	3:4:2:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-3:C-4:O[5]-2:	C[5](C[5]C[6a]N[5]H)(C[5]O[5]C)(CCO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]O[5]C)(H)	C[5](C[5]C[5]C)(CC[6a]HH)(O[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[5]O[5]C)(CCO){1|C<4>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]O[5]C)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]C)(CC[6a]HH)(O[5]N[5]){1|C<3>,1|C<4>,1|H<1>}	107.7740	0.000	1	107.7740	0.000	1	108.0255	0.127	2	108.0255	0.127	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:1:	3:4:2:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-3:C-4:O[5]-2:	C[5](C[5]C[6a]N[5]H)(C[5]O[5]C)(CC[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]O[5]C)(H)	C[5](C[5]C[5]C)(CC[6a]HH)(O[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[5]O[5]C)(CC[6a]O){1|C<4>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]O[5]C)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]C)(CC[6a]HH)(O[5]N[5]){1|C<3>,1|C<4>,1|H<1>}	108.2770	0.000	1	108.2770	0.000	1	108.0255	0.127	2	108.0255	0.127	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]H)(CCO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]H)(H)	C[5](C[5]N[5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]H)(CCO){1|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]H)(H){3|H<1>,4|C<3>}	C[5](C[5]N[5]CC)(C[5]C[5]C)(H){1|C<3>,2|H<1>}	111.0470	0.000	1	111.0470	0.000	1	111.6309	0.977	12	111.7738	2.044	16	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]H)(CC[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H)	C[5](C[5]N[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]H)(CC[6a]O){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]N[5]CH)(C[5]C[5]C)(H){1|C<3>,1|H<1>,1|S<4>}	110.5195	0.324	4	110.5195	0.105	4	111.6309	0.977	12	111.7738	2.044	16	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]H)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]P)(H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]H)(COO){1|P<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]P)(H){2|C<3>,5|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(H){1|C<3>,1|H<1>,1|P<4>}	111.4550	0.000	1	111.4550	0.000	1	111.6309	0.977	12	111.7738	2.044	16	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]H)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]H)(COO){1|H<1>,1|S<4>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(H){1|H<1>,1|S<4>,3|C<3>}	112.3420	0.000	1	112.3420	0.000	1	111.6309	0.977	12	111.7738	2.044	16	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]H)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H)	C[5](C[5]N[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]H)(COO){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]N[5]CH)(C[5]C[5]C)(H){1|C<3>,1|H<1>,1|S<4>}	112.2555	0.059	2	112.2555	0.003	2	111.6309	0.977	12	111.7738	2.044	16	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]H)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]H)(COO){1|S<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H){1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(H){1|C<3>,1|H<1>,1|S<4>}	112.3480	0.000	1	112.7127	0.162	3	111.6309	0.977	12	111.7738	2.044	16	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]H)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]H)(COO){1|S<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H){2|C<3>,5|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(H){1|C<3>,1|H<1>,1|S<4>}	112.8950	0.354	2	112.7127	0.162	3	111.6309	0.977	12	111.7738	2.044	16	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	N[5]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]H)(COO)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]H)(COO){1|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){4|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(H){1|H<1>,4|C<3>}	112.1860	0.000	1	112.1860	0.000	1	112.1860	0.000	1	111.7738	2.044	16	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:1:	4:3:1:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[6a]N[5]H)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5,6]H)(H)	C[5](C[5,6]N[5]S[6]2)(C[5]C[6a]C[5])(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5,6]H)(C[6a]C[6a]2){2|S<2>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5,6]H)(H){2|S<2>,3|H<1>,4|C<3>}	C[5](C[5,6]N[5]S[6]2)(C[5]C[6a]C[5])(H){2|C<4>,2|H<1>,3|C<3>}	108.6560	0.000	1	108.6560	0.000	1	108.6560	0.000	1	111.7738	2.044	16	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:1:	4:3:1:	C[5]-4:C[5]-3:S-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]H)(SC[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]S)(N[5]C[5]S)(H)	C[5](C[5]N[5]CH)(C[5]C[5]S)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]H)(SC[6a]O){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]S)(N[5]C[5]S)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]N[5]CH)(C[5]C[5]S)(H){1|C<3>,1|H<1>,1|S<4>}	113.9840	0.088	2	113.9840	0.008	2	113.9840	0.008	2	111.7738	2.044	16	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:1:	4:3:3:	C[5]-4:C[5]-3:C-3:	N[5]-3:C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]N[5]CH)(C[5]C[5]C)(COO)	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(COO)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(COO)	C[5](C[5]N[5]CH)(C[5]C[5]C)(COO){1|H<1>,2|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(COO)(H){1|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(COO){1|H<1>,4|C<3>}	110.7170	0.000	1	110.7170	0.000	1	110.7170	0.000	1	113.2143	12.623	20	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:1:	4:3:3:	C[5]-4:C[5]-3:C-3:	N[5]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(COO)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(COO)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(COO){1|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|Br<1>,2|H<1>,6|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(COO){1|H<1>,4|C<3>}	111.3700	0.000	1	111.8532	0.131	6	111.7864	0.140	7	113.2143	12.623	20	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:1:	4:3:3:	C[5]-4:C[5]-3:C-3:	N[5]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(COO)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(COO)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(COO){1|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|O<2>,2|H<1>,6|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(COO){1|H<1>,4|C<3>}	111.7643	0.225	3	111.8532	0.131	6	111.7864	0.140	7	113.2143	12.623	20	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:1:	4:3:3:	C[5]-4:C[5]-3:C-3:	N[5]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(COO)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(COO)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(COO){1|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){3|H<1>,6|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(COO){1|H<1>,4|C<3>}	112.2280	0.116	2	111.8532	0.131	6	111.7864	0.140	7	113.2143	12.623	20	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:1:	4:3:3:	C[5]-4:C[5]-3:C-3:	N[5]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(COO)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5](C[5]N[5]CH)(C[5]C[5]C)(COO)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(COO){1|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){3|H<1>,6|C<3>}	C[5](C[5]N[5]CH)(C[5]C[5]C)(COO){1|H<1>,2|C<3>}	111.3860	0.000	1	111.3860	0.000	1	111.7864	0.140	7	113.2143	12.623	20	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:1:	4:3:3:	C[5]-4:C[5]-3:C-3:	N[5]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])(COO)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])(COO){1|H<1>,6|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){3|H<1>,6|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]C){3|H<1>,6|C<3>}	112.7180	0.000	1	112.7180	0.000	1	112.7180	0.000	1	113.2143	12.623	20	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:1:	4:3:3:	C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[5]C[5]2)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[5]C[5]2){1|H<1>,1|O<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[5]C[5]2){1|H<1>,1|O<1>,7|C<3>}	127.1880	0.000	1	127.1880	0.000	1	127.1880	0.000	1	113.2143	12.623	20	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:1:	4:3:3:	C[5]-4:C[5]-3:C[6a]-3:	B[5]-3:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]B[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](B[5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]B[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]B[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|H<1>,2|F<1>,8|C<3>}	C[5](B[5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|H<1>,2|F<1>,8|C<3>}	C[5](C[5]C[6a]B[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|H<1>,2|F<1>,8|C<3>}	113.2800	0.509	2	113.2800	0.259	2	113.1356	0.610	7	113.2143	12.623	20	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:1:	4:3:3:	C[5]-4:C[5]-3:C[6a]-3:	B[5]-3:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]B[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](B[5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]B[5]Si)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]B[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|Si<4>,2|H<1>,8|C<3>}	C[5](B[5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|Si<4>,2|H<1>,8|C<3>}	C[5](C[5]C[6a]B[5]Si)(C[5]C[6a]C[5])(C[6a]C[6a]2){3|H<1>,8|C<3>}	113.0778	0.914	5	113.0778	0.835	5	113.1356	0.610	7	113.2143	12.623	20	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:1:	4:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:B[5]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]B[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(B[5]C[5]S)(H)	C[5](C[5]C[6a]2B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]B[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|S<2>,2|H<1>,8|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(B[5]C[5]S)(H){2|H<1>,7|C<3>}	C[5](C[5]C[6a]2B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|S<2>,3|H<1>,9|C<3>}	114.0320	0.000	1	114.0320	0.000	1	114.0320	0.000	1	113.2143	12.623	20	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:1:	4:3:3:	C[5]-4:C[5]-3:N-3:	C[5]-3:C[5]-3:C-3:H-1:	P[5]-4:C[5]-3:P-3:	C[5](C[5]C[5]CH)(C[5]P[5]P)(NCH)	C[5](C[5]C[5]N)(C[5]P[5]C)(COO)(H)	C[5](P[5]C[6a]2C[5])(C[5]C[5]N)(PC[6a]2)	C[5](C[5]C[5]CH)(C[5]P[5]P)(NCH){3|C<3>}	C[5](C[5]C[5]N)(C[5]P[5]C)(COO)(H){1|P<3>,2|C<3>}	C[5](P[5]C[6a]2C[5])(C[5]C[5]N)(PC[6a]2){1|H<1>,6|C<3>}	115.5740	0.000	1	115.5740	0.000	1	115.5740	0.000	1	113.2143	12.623	20	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:1:	4:3:3:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])(COO)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]C){3|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,8|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])(COO){1|H<1>,6|C<3>}	109.6030	0.000	1	109.6030	0.000	1	109.6030	0.000	1	113.2143	12.623	20	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-3:N[5]-3:O-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]N[5]O)(C[5]C[5]H)(CSS)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C)(OH)	C[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](C[5]C[6a]N[5]O)(C[5]C[5]H)(CSS){4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C)(OH){3|C<3>,3|H<1>}	C[5](C[5]C[5]C)(C[5]N[5]C)(H){1|O<2>,2|C<3>}	107.7340	0.000	1	107.7340	0.000	1	107.7340	0.000	1	108.0140	0.699	7	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O)	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(C[5]C[5]2){1|O<1>,1|O<2>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(OH){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	108.0080	0.000	1	108.0080	0.000	1	108.0080	0.000	1	108.0140	0.699	7	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-3:O-2:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(COO)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(COO)(OH){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H){1|H<1>,1|O<2>,5|C<3>}	107.8170	0.000	1	108.7585	1.773	2	108.7585	1.773	2	108.0140	0.699	7	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-3:O-2:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(COO)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(COO)(OH){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H){1|H<1>,1|O<2>,5|C<3>}	109.7000	0.000	1	108.7585	1.773	2	108.7585	1.773	2	108.0140	0.699	7	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[5a]-3:C[5]-3:	C[5a]-3:C[5]-3:N[5]-3:O-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5a]N[5]O)(C[5a]C[5a]2)(C[5]C[5]H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(N[5]C[5]Ni)(OC)	C[5](C[5]C[5a]C[5])(C[5]N[5]C)(H)	C[5](C[5]C[5a]N[5]O)(C[5a]C[5a]2)(C[5]C[5]H){1|Ni<4>,1|H<1>,2|N<3>,4|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(N[5]C[5]Ni)(OC){3|H<1>,5|C<3>}	C[5](C[5]C[5a]C[5])(C[5]N[5]C)(H){1|Ni<4>,1|O<2>,3|C<3>}	107.9080	0.479	2	107.9080	0.230	2	107.9080	0.230	2	108.0140	0.699	7	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]2N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)2(N[5]C[5])	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(H)	C[5](C[5]C[6a]2N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|O<2>,2|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)2(N[5]C[5]){1|O<2>,5|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(H){4|C<3>}	107.0230	0.000	1	107.0230	0.000	1	107.0230	0.000	1	108.0140	0.699	7	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:2:	3:3:2:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:C-2:	C[5,6a]-3:C[5]-3:C-2:	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(CN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CN)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(CN){1|C<2>,3|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CN){1|C<2>,1|H<1>,5|C<3>}	108.6940	0.000	1	108.6940	0.000	1	108.6940	0.000	1	108.6940	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:2:	3:3:3:	C[5]-4:C[5]-3:C-3:	C[5,6a]-3:C[6]-3:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6]O)(C[5]C[5,6a]C[6a])(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]C[5]C)(OIr)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[5,6a]C[6]O)(C[5]C[5,6a]C[6a])(CC[6a]O){1|N<3>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]C[5]C)(OIr){2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|O<2>,3|H<1>,5|C<3>}	112.0570	0.000	1	112.0570	0.000	1	112.0570	0.000	1	109.7292	1.217	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:2:	3:3:3:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:O-2:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]CO)(C[5]C[5]C)(COO)	C[5](C[5]C[5]C)(C[5]C[5]O)(COO)(OC)	C[5](C[5]C[5]C)(C[5]C[5]P)(COO)	C[5](C[5]C[5]CO)(C[5]C[5]C)(COO){1|O<1>,1|P<4>}	C[5](C[5]C[5]C)(C[5]C[5]O)(COO)(OC){1|C<3>,1|P<4>}	C[5](C[5]C[5]C)(C[5]C[5]P)(COO){1|C<3>,1|O<1>,1|O<2>}	109.5740	0.000	1	109.5740	0.000	1	109.5740	0.000	1	109.7292	1.217	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:2:	3:3:3:	C[5]-4:C[5]-3:C[5a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[5a])(C[5a]C[5a]N[5a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(C[6a]C[6a]2)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5a]C[5])	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[5a])(C[5a]C[5a]N[5a]){1|C<4>,1|N<2>,1|S<2>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(C[6a]C[6a]2)(OH){1|N<2>,3|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5a]C[5]){1|C<4>,1|H<1>,1|N<2>,1|O<2>,1|S<2>,5|C<3>}	110.6510	0.000	1	110.6510	0.000	1	110.6510	0.000	1	109.7292	1.217	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:2:	3:3:3:	C[5]-4:C[5]-3:C[6]-3:	N[5,5]-3:C[5]-3:C[6a]-3:O-2:	C[5,5]-3:C[5]-3:C-3:	C[5](C[5]N[5,5]C[6a]O)(C[5]C[5,5]C)(C[6]C[6]2)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]C[6])(C[6a]C[6a]2)(OH)	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]C[6])(CC[6a]O)	C[5](C[5]N[5,5]C[6a]O)(C[5]C[5,5]C)(C[6]C[6]2){1|C<4>,1|N<3>,1|O<2>,2|O<1>,3|C<3>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]C[6])(C[6a]C[6a]2)(OH){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]C[6])(CC[6a]O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	109.0680	0.000	1	109.0680	0.000	1	109.0680	0.000	1	109.7292	1.217	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:2:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:O-2:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(OC)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(OC){2|H<1>,8|C<3>}	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2){1|O<2>,2|H<1>,8|C<3>}	108.9410	0.099	2	108.9410	0.010	2	109.1210	0.104	4	109.7292	1.217	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:2:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:O-2:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(OH)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(OH){1|C<4>,1|H<1>,8|C<3>}	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2){1|O<2>,2|H<1>,8|C<3>}	109.3010	0.416	2	109.3010	0.173	2	109.1210	0.104	4	109.7292	1.217	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:2:	3:4:3:	C[5]-4:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-2:	C[5,6a]-3:C[4]-4:C[5]-3:	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[4])(CC[6a]C[4])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[4]C[4]2H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[4])(CC[6a]C[4]){1|H<1>,2|C<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(CC){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[4]C[4]2H)(C[5]C[5]C){1|C<2>,1|C<4>,3|C<3>,5|H<1>}	110.2020	0.000	1	110.2020	0.000	1	110.2020	0.000	1	110.2020	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:2:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:C-2:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]H)(CCC)	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]C)(C[5]C[5]O)(CN)	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]H)(CCC){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]C)(C[5]C[5]O)(CN){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(H){1|C<2>,1|C<3>,1|O<1>}	109.1915	0.326	2	109.1915	0.106	2	109.1915	0.106	2	109.1915	0.106	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:2:	4:3:3:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-2:	P[5]-4:C[5]-3:C-3:	C[5](C[5]C[6a]2N[5])(C[5]P[5]C)(COO)	C[5](C[6a]C[6a]2)2(C[5]C[5]C)(N[5]P[5])	C[5](P[5]C[6a]2N[5])(C[5]C[5]C)(COO)	C[5](C[5]C[6a]2N[5])(C[5]P[5]C)(COO){6|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]C)(N[5]P[5]){4|H<1>,7|C<3>}	C[5](P[5]C[6a]2N[5])(C[5]C[5]C)(COO){6|C<3>}	114.4890	0.000	1	114.4890	0.000	1	114.5755	0.015	2	116.4206	39.858	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:2:	4:3:3:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-2:	P[5]-4:C[5]-3:C-3:	C[5](C[5]C[6a]2N[5])(C[5]P[5]C)(COO)	C[5](C[6a]C[6a]2)2(C[5]C[5]C)(N[5]P[5])	C[5](P[5]N[5]CC)(C[5]C[5]C)(COO)	C[5](C[5]C[6a]2N[5])(C[5]P[5]C)(COO){2|C<4>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]C)(N[5]P[5]){2|C<4>,4|H<1>,5|C<3>}	C[5](P[5]N[5]CC)(C[5]C[5]C)(COO){2|C<3>}	114.6620	0.000	1	114.6620	0.000	1	114.5755	0.015	2	116.4206	39.858	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:2:	4:3:3:	C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(OH)	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(C[5]C[5]2)	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(C[5]C[5]2){1|O<1>,1|O<2>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(OH){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(C[5]C[5]2){1|O<1>,1|O<2>,7|C<3>}	127.5860	0.000	1	127.5860	0.000	1	127.5860	0.000	1	116.4206	39.858	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:2:	4:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[5]-3:O-2:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]2)(OH)	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<2>,2|H<1>,8|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]2)(OH){2|H<1>,2|O<2>,7|C<3>}	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<2>,2|H<1>,8|C<3>}	112.6830	0.068	2	112.6830	0.005	2	112.6830	0.005	2	116.4206	39.858	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:3:	3:2:4:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:N-3:	C[5]-3:O[5]-2:C-4:	C[5](C[5]C[6a]C[5]N)(C[5]O[5]C)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]O[5]O)(NCH)	C[5](C[5]C[5]C)(O[5]C[5])(CH3)	C[5](C[5]C[6a]C[5]N)(C[5]O[5]C)(COO){1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]O[5]O)(NCH){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]C)(O[5]C[5])(CH3){1|C<3>,1|N<3>,1|O<1>}	109.6430	0.000	1	109.6430	0.000	1	109.6430	0.000	1	109.6430	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5,5a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5,5a]-3:C[5]-3:S-1:	C[5](C[5]C[5,5a]C[6a]2)(C[5]C[5,5a]S)(CC[6a]H)	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)2(C[5]C[5]C)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]C)(S)	C[5](C[5]C[5,5a]C[6a]2)(C[5]C[5,5a]S)(CC[6a]H){1|S<2>,5|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)2(C[5]C[5]C){1|S<1>,1|S<2>,5|C<3>,5|H<1>}	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]C)(S){4|C<3>}	109.7330	0.000	1	109.7330	0.000	1	109.7330	0.000	1	109.1426	1.930	7	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]O)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]O)(CCH){6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]C){1|O<1>,5|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,4|C<3>}	108.9180	0.000	1	108.9180	0.000	1	108.9180	0.000	1	109.1426	1.930	7	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]H)(CCC)	C[5](C[6a]C[6a]2)(C[5]C[5]C)2(CCH)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]H)(CCC){4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)2(CCH){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){5|C<3>}	107.1470	0.000	1	107.1470	0.000	1	107.1470	0.000	1	109.1426	1.930	7	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:N-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[6a]C[5]N)(C[5]N[5]O)(CC[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O)(NC[6a]H)	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	C[5](C[5]C[6a]C[5]N)(C[5]N[5]O)(CC[6a]H){1|C<4>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O)(NC[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|C<3>,1|N<3>,1|O<1>}	108.2860	0.000	1	108.2860	0.000	1	108.2860	0.000	1	109.1426	1.930	7	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(COO){4|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H){1|H<1>,6|C<3>}	111.4060	0.000	1	111.4060	0.000	1	111.4060	0.000	1	109.1426	1.930	7	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C[5a]C[6a])(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)	C[5](C[5]C[5,6a]C[5a]C[6a])(C[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<3>,5|H<1>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H){1|H<1>,6|C<3>}	110.0660	0.000	1	110.0660	0.000	1	110.0660	0.000	1	109.1426	1.930	7	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]2C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)2(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]Os)(H)	C[5](C[5]C[6a]2C[5])(C[6a]C[6a]2)(C[5]C[5]H){1|Os<6>,3|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)2(C[5]C[5]H){1|Os<6>,5|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]Os)(H){1|H<1>,4|C<3>}	108.4420	0.000	1	108.4420	0.000	1	108.4420	0.000	1	109.1426	1.930	7	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:3:	3:3:3:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]CC)(C[5]C[5]C)(COO)	C[5](C[5]C[5]2)(C[5]C[5]C)(COO)2	C[5](C[5]C[5]C)2(COO)	C[5](C[5]C[5]CC)(C[5]C[5]C)(COO){1|C<3>,1|C<4>}	C[5](C[5]C[5]2)(C[5]C[5]C)(COO)2{1|Ru<10>,2|C<3>,2|C<4>}	C[5](C[5]C[5]C)2(COO){1|C<4>,2|C<3>}	109.8840	0.000	1	109.8840	0.000	1	109.8840	0.000	1	109.5925	1.326	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:3:	3:3:3:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5])(CCH)	C[5](C[6a]C[6a]2)(C[5]C[5]C)2(CCH)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5])(CCH){1|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)2(CCH){3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){2|H<1>,5|C<3>}	108.2000	0.000	1	108.2000	0.000	1	108.2000	0.000	1	109.5925	1.326	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:3:	3:3:3:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:N-3:	C[6a]-3:C[5]-3:N[5]-3:	C[5](C[5]C[6a]C[5]N)(C[5]C[6a]N[5])(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O)(NCH)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]H)	C[5](C[5]C[6a]C[5]N)(C[5]C[6a]N[5])(COO){1|H<1>,1|O<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O)(NCH){3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	109.3220	0.000	1	109.3220	0.000	1	109.3220	0.000	1	109.5925	1.326	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:3:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]O[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|O<2>,2|H<1>,9|C<3>}	C[5](C[5,6a]C[5,6a]O[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)2{4|H<1>,9|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,1|O<2>,2|H<1>,7|C<3>}	110.9640	0.000	1	110.9640	0.000	1	110.9640	0.000	1	109.5925	1.326	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:3:	4:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:B[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]2B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)2(B[5]C[5]S)	C[5](C[5]C[6a]B[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]2B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|S<2>,3|H<1>,9|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)2(B[5]C[5]S){5|H<1>,8|C<3>}	C[5](C[5]C[6a]B[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|S<2>,2|H<1>,8|C<3>}	114.1550	0.000	1	114.1550	0.000	1	114.1550	0.000	1	114.1550	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(CCHH)	C[5](C[5]C[6a]C[5])(C[5]C[5]Ru)(H)	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]H){1|Ru<8>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(CCHH){1|Ru<8>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]Ru)(H){1|C<4>,4|C<3>}	110.7760	0.000	1	110.7760	0.000	1	110.7760	0.000	1	110.7760	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:4:	3:3:2:	C[5]-4:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-2:	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C)(CC[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(CC[6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C)(CC[6a]C){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(CC[6a]HH){1|C<2>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC){1|C<4>,1|H<1>,3|C<3>}	109.4600	0.000	1	109.4600	0.000	1	109.4600	0.000	1	109.4600	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:4:	3:3:3:	C[5]-4:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5])(N[5]C[5]2)	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5])(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H)(CH3){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H){2|C<4>,3|H<1>,4|C<3>}	111.4790	0.000	1	111.4790	0.000	1	111.4790	0.000	1	111.4790	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:4:	3:3:4:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-3:Si-4:	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]Si)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(CC[6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(SiC[6a]CC)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]Si)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(CC[6a]HH){1|Si<4>,3|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(SiC[6a]CC){1|C<4>,1|H<1>,5|C<3>}	112.1470	0.000	1	112.1470	0.000	1	112.1470	0.000	1	112.1470	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:4:	3:4:4:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:C-4:	C[5]-3:C[5]-4:C-4:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)(CH3)	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CH3)	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)(CH3){2|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CH3){1|C<4>,1|O<1>,3|C<3>}	112.7590	0.000	1	112.7590	0.000	1	112.7590	0.000	1	112.7590	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:3:4:	4:3:3:	C[5]-4:C[5]-3:C[6a]-3:	B[5]-3:C[5]-3:C[6a]-3:Si-4:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]B[5]Si)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](B[5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)(SiC3)	C[5](C[5]C[6a]B[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]B[5]Si)(C[5]C[6a]C[5])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[5](B[5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)(SiC3){3|H<1>,8|C<3>}	C[5](C[5]C[6a]B[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|Si<4>,2|H<1>,8|C<3>}	114.1148	0.609	5	114.1148	0.371	5	114.1148	0.371	5	114.1148	0.371	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:4:1:	3:2:1:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]H)	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[5]HO)(H)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]H){1|O<1>}	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[5]HO)(H){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<4>,1|H<1>,1|O<1>}	107.4230	0.000	1	107.4230	0.000	1	107.4230	0.000	1	107.4230	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(CC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(CC[6a]H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|C<4>,2|C<3>,2|H<1>}	108.8120	0.493	3	108.8120	0.243	3	108.8120	0.243	3	109.1912	1.729	23	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:P-4:H-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]HP)(C[5]C[5,6a]O)(CCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(PC[6a]2O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5](C[5]C[5,6a]HP)(C[5]C[5,6a]O)(CCC){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(PC[6a]2O)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|P<4>,2|C<3>,2|H<1>}	105.7010	0.000	1	105.7010	0.000	1	105.7010	0.000	1	109.1912	1.729	23	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:Si-4:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]H)(CC[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SiC3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]H)(CC[5]2){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SiC3)(H){2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|Si<4>,2|C<3>,2|H<1>}	109.5510	0.050	4	109.5510	0.002	4	109.5510	0.002	4	109.1912	1.729	23	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]H)	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]CH)(H)	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	C[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]H){1|C<3>,1|O<1>}	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]CH)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>}	108.1140	0.086	2	108.1140	0.007	2	108.1140	0.007	2	109.1912	1.729	23	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:C-4:H-1:	N[5]-3:C[5]-3:O-1:	C[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]H)	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]CH)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(O)	C[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]H){1|C<3>,1|O<1>}	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]CH)(H){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	108.3240	0.000	1	108.3240	0.000	1	108.5930	0.055	3	109.1912	1.729	23	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:C-4:H-1:	N[5]-3:C[5]-3:O-1:	C[5](C[5]C[5]CH)(C[5]N[5]O)(CHH)	C[5](C[5]C[5]C)(C[5]N[5]O)(CC3)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(O)	C[5](C[5]C[5]CH)(C[5]N[5]O)(CHH){1|C<3>,1|O<1>}	C[5](C[5]C[5]C)(C[5]N[5]O)(CC3)(H){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	108.7275	0.023	2	108.7275	0.001	2	108.5930	0.055	3	109.1912	1.729	23	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]CH)(C[5]C[5]H)(CC[6a]C)	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3)(H)	C[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](C[5]N[5]CH)(C[5]C[5]H)(CC[6a]C){2|C<4>}	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(C[5]N[5]C)(H){1|H<1>,2|C<4>}	108.1700	0.000	1	108.1700	0.000	1	107.8915	0.155	2	109.1912	1.729	23	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]CH)(C[5]C[5]H)(CHO)	C[5](C[5]C[5]C)(N[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](C[5]N[5]CH)(C[5]C[5]H)(CHO){2|C<3>}	C[5](C[5]C[5]C)(N[5]C[5]C)(CCHH)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]N[5]C)(H){1|C<3>,1|C<4>,1|H<1>}	107.6130	0.000	1	107.6130	0.000	1	107.8915	0.155	2	109.1912	1.729	23	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]2H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)	C[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]H)(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]2H)(H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H){1|C<4>,2|H<1>,4|C<3>}	109.7160	0.000	1	109.7160	0.000	1	109.7160	0.000	1	109.1912	1.729	23	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[5]-3:N-3:	C[5,6a]-3:C[5]-3:P-4:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]HP)(C[5]C[5,6a]H)(NCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PCCS)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H)	C[5](C[5]C[5,6a]HP)(C[5]C[5,6a]H)(NCC){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PCCS)(H){2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H){1|P<4>,2|C<3>,2|H<1>}	110.1940	0.000	2	110.1940	0.000	2	110.3045	0.016	4	109.1912	1.729	23	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[5]-3:N-3:	C[5,6a]-3:C[5]-3:P-4:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]HP)(C[5]C[5,6a]H)(NCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PRhCC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H)	C[5](C[5]C[5,6a]HP)(C[5]C[5,6a]H)(NCC){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PRhCC)(H){2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H){1|P<4>,2|C<3>,2|H<1>}	110.4150	0.000	2	110.4150	0.000	2	110.3045	0.016	4	109.1912	1.729	23	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[5]-3:N-3:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]CH)(C[5]C[5]H)(NCH)	C[5](C[5]C[5]N)(N[5]C[5]H)(CH3)(H)	C[5](C[5]C[5]N)(C[5]N[5]O)(H)	C[5](C[5]N[5]CH)(C[5]C[5]H)(NCH){1|H<1>,1|O<1>}	C[5](C[5]C[5]N)(N[5]C[5]H)(CH3)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]N)(C[5]N[5]O)(H){1|C<4>,2|H<1>}	109.9090	0.037	2	109.9090	0.001	2	109.9090	0.001	2	109.1912	1.729	23	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(H){1|H<1>,2|C<4>,3|C<3>}	112.5150	0.000	1	112.5150	0.000	1	112.5150	0.000	1	109.1912	1.729	23	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:4:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[3]-4:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[5,6a]C[3]H)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[3]C[3]2N)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,6a]C[3]H)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,1|S<4>,2|C<4>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[3]C[3]2N)(H){5|C<3>,5|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	111.0730	0.000	1	111.0730	0.000	1	111.0730	0.000	1	110.8750	0.078	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:4:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:Si-4:H-1:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(SiC3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CSiC)	C[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(SiC3)(H){1|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CSiC){1|Si<4>,2|H<1>,4|C<3>}	110.6770	0.000	1	110.6770	0.000	1	110.6770	0.000	1	110.8750	0.078	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:4:1:	3:3:4:	C[5]-4:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(CCH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){1|C<4>,2|C<3>,2|H<1>}	110.4160	0.000	1	110.4160	0.000	1	110.4160	0.000	1	110.2957	3.815	9	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:4:1:	3:3:4:	C[5]-4:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:P-4:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]HP)(C[5]C[5,6a]C)(CPdN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(PCCS)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]HH)	C[5](C[5]C[5,6a]HP)(C[5]C[5,6a]C)(CPdN){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(PCCS)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]HH){1|P<4>,2|C<3>,2|H<1>}	110.0820	0.000	1	110.0820	0.000	1	110.0820	0.000	1	110.2957	3.815	9	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:4:1:	3:3:4:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CSiC)	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)(H)	C[5](C[5]C[5]C)2(CHHN)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CSiC){1|C<4>,1|O<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)(H){2|C<4>}	C[5](C[5]C[5]C)2(CHHN){1|C<4>,1|H<1>,1|O<1>}	107.0670	0.000	1	107.0670	0.000	1	107.0670	0.000	1	110.2957	3.815	9	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:4:1:	3:3:4:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]C[5]CH)(C[5]N[5]C)(COO)	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]CH)(H)	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]C[5]CH)(C[5]N[5]C)(COO){1|C<4>,1|O<1>}	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]CH)(H){2|C<4>}	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|H<1>,1|O<1>}	109.4550	0.000	1	109.4550	0.000	1	109.4550	0.000	1	110.2957	3.815	9	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:4:1:	3:3:4:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6]-4:Cl-1:	C[5]-3:C[5]-3:C[6]-4:	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)	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H)	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>}	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>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H){1|Cl<1>,2|C<3>,5|H<1>,6|C<4>}	109.0270	0.000	1	109.0270	0.000	1	109.0270	0.000	1	110.2957	3.815	9	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:4:1:	3:3:4:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6]-4:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[5](C[5]C[5]C[6]H)(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)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]C[6])(C[6a]C[6a]2){2|C<3>,4|H<1>,6|C<4>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H)(H){2|C<3>,5|H<1>,6|C<4>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H){2|C<3>,6|C<4>,6|H<1>}	108.8870	0.000	1	108.8870	0.000	1	108.8870	0.000	1	110.2957	3.815	9	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:4:1:	3:3:4:	C[5]-4:C[5]-3:S-3:	C[5,6a]-3:C[5]-3:B-4:H-1:	C[5,6a]-3:C[5]-3:P-4:	C[5](C[5]C[5,6a]BH)(C[5]C[5,6a]P)(SPtC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(BC[6a]3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(PPtCC)	C[5](C[5]C[5,6a]BH)(C[5]C[5,6a]P)(SPtC){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(BC[6a]3)(H){1|H<1>,1|P<4>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(PPtCC){1|B<4>,2|C<3>,2|H<1>}	112.2750	0.000	1	112.2750	0.000	1	112.2750	0.000	1	110.2957	3.815	9	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:4:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CH3)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|O<2>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CH3){2|H<1>,4|C<3>}	112.7840	0.000	1	112.7840	0.000	1	112.7260	0.007	2	110.2957	3.815	9	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:4:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CH3)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CH3){3|C<3>,3|H<1>}	112.6680	0.000	1	112.6680	0.000	1	112.7260	0.007	2	110.2957	3.815	9	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:4:1:	3:4:4:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-3:C[5]-4:C-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]HO)(CHHO)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C){1|O<2>,4|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HO)(CHHO){3|C<3>,3|H<1>}	110.8040	0.000	1	110.8040	0.000	1	110.8040	0.000	1	110.8040	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:4:1:	4:3:2:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-2:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HO)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(CC)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C){1|O<2>,4|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HO)(H){1|C<2>,1|H<1>,2|O<2>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(CC){1|O<2>,2|H<1>,5|C<3>}	110.5760	0.000	1	110.5760	0.000	1	110.5760	0.000	1	110.5760	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:4:1:	4:3:3:	C[5]-4:C[5]-3:C[6a]-3:	B[5,5]-3:C[5]-3:Si-4:H-1:	C[5,5]-4:C[5]-3:B-3:	C[5](C[5]B[5,5]SiH)(C[5]C[5,5]B)(C[6a]C[6a]2)	C[5](B[5,5]C[5,5]N[5])(C[5]C[6a]C[5])(SiC3)(H)	C[5](C[5,5]C[5,6a]B[5,5]Si)(C[5]C[6a]C[5])(BC[6a]2)	C[5](C[5]B[5,5]SiH)(C[5]C[5,5]B)(C[6a]C[6a]2){1|Si<4>,1|N<3>,2|F<1>,3|C<3>}	C[5](B[5,5]C[5,5]N[5])(C[5]C[6a]C[5])(SiC3)(H){1|Si<4>,1|B<3>,5|C<3>}	C[5](C[5,5]C[5,6a]B[5,5]Si)(C[5]C[6a]C[5])(BC[6a]2){1|Si<4>,1|H<1>,1|N<3>,4|C<3>}	115.9290	0.000	1	115.9290	0.000	1	115.9290	0.000	1	115.9290	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:4:2:	3:3:1:	C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CCHH)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CCHH)(OH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	107.0265	0.213	2	107.0265	0.045	2	107.0557	0.025	3	108.0275	3.795	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:4:2:	3:3:1:	C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CC[6a]HH)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CC[6a]HH)(OH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	107.1140	0.000	1	107.1140	0.000	1	107.0557	0.025	3	108.0275	3.795	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:4:2:	3:3:1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-4:O-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(OH)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]H){4|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(OH){3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){1|O<2>,2|H<1>,3|C<3>}	110.9430	0.000	1	110.9430	0.000	1	110.9430	0.000	1	108.0275	3.795	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:4:2:	3:3:2:	C[5]-4:C[5]-3:C-3:	C[5]-3:N[5]-3:C-4:O-2:	C[5]-3:C[5]-3:C-2:	C[5](C[5]N[5]CO)(C[5]C[5]C)(CCH)	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3)(OC)	C[5](C[5]C[5]C)(C[5]N[5]C)(CN)	C[5](C[5]N[5]CO)(C[5]C[5]C)(CCH){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3)(OC){1|C<2>,1|C<3>}	C[5](C[5]C[5]C)(C[5]N[5]C)(CN){1|O<2>,2|C<4>}	105.2480	0.000	1	105.2480	0.000	1	105.2480	0.000	1	105.2480	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:4:2:	3:3:4:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:C-4:S-2:	C[5]-3:N[5]-3:C-4:	C[5](C[5]C[5]CS)(C[5]N[5]C)(COO)	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]HH)(SC[6a])	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]C[5]CS)(C[5]N[5]C)(COO){1|C<4>,1|O<1>}	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]HH)(SC[6a]){2|C<4>}	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|O<1>,1|S<2>}	109.0320	0.000	1	109.0320	0.000	1	109.0320	0.000	1	110.7513	4.246	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:4:2:	3:3:4:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:C-4:Se-2:	C[5]-3:N[5]-3:C-4:	C[5](C[5]C[5]SeC)(C[5]N[5]C)(COO)	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]HH)(SeC[6a])	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]C[5]SeC)(C[5]N[5]C)(COO){1|C<4>,1|O<1>}	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]HH)(SeC[6a]){2|C<4>}	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3){1|Se<2>,1|C<4>,1|O<1>}	109.7380	0.000	1	109.7380	0.000	1	109.7380	0.000	1	110.7513	4.246	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:4:2:	3:3:4:	C[5]-4:C[5]-3:C-3:	C[5]-3:N[5]-3:C-4:O-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]CO)(C[5]C[5]C)(COO)	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3)(OH)	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]HH)	C[5](C[5]N[5]CO)(C[5]C[5]C)(COO){1|C<4>,1|O<1>}	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3)(OH){1|C<4>,1|O<1>}	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]HH){1|O<2>,2|C<4>}	111.2410	0.000	1	111.2410	0.000	1	111.2410	0.000	1	110.7513	4.246	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:4:2:	3:3:4:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6]-4:O-2:	C[5]-3:C[5]-3:C[6]-4:	C[5](C[5]C[5]C[6]O)(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)(OC)	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H)	C[5](C[5]C[5]C[6]O)(C[5]C[5]C[6])(C[6a]C[6a]2){2|C<3>,4|H<1>,6|C<4>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H)(OC){2|C<3>,5|H<1>,6|C<4>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H){1|O<2>,2|C<3>,5|H<1>,6|C<4>}	108.3340	0.000	1	108.3340	0.000	1	108.3340	0.000	1	110.7513	4.246	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:4:2:	3:3:4:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-4:O-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(OH)	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CH3)	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(OH){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CH3){1|O<2>,2|H<1>,3|C<3>}	113.0815	0.554	2	113.0815	0.307	2	113.0815	0.307	2	110.7513	4.246	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:4:2:	4:3:3:	C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CCHH)(OH)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(C[5]C[5]2)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CCHH)(OH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	127.7640	0.567	2	127.7640	0.322	2	127.5577	0.289	3	127.5577	0.289	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:4:2:	4:3:3:	C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CC[6a]HH)(OH)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(C[5]C[5]2)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CC[6a]HH)(OH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	127.1450	0.000	1	127.1450	0.000	1	127.5577	0.289	3	127.5577	0.289	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:4:4:	3:2:1:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:O[5]-2:H-1:	C[5](C[5]C[5]CC)(C[5]O[5]H)(CN[6]O)	C[5](C[5]C[5]C)(C[5]O[5]C)(CH3)2	C[5](C[5]C[5]C)(O[5]C[5])(H)	C[5](C[5]C[5]CC)(C[5]O[5]H)(CN[6]O){1|C<4>}	C[5](C[5]C[5]C)(C[5]O[5]C)(CH3)2{1|H<1>}	C[5](C[5]C[5]C)(O[5]C[5])(H){3|C<4>}	107.3490	0.000	1	107.3490	0.000	1	107.3490	0.000	1	107.3490	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:4:4:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:C[5]-3:O-1:	C[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6]H)	C[5](C[5]C[5]C)2(CCHH)(CH3)	C[5](C[5]C[5]C)(C[5]C[5]O)(O)	C[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6]H){1|C<4>,1|O<2>}	C[5](C[5]C[5]C)2(CCHH)(CH3){1|O<1>,1|O<2>}	C[5](C[5]C[5]C)(C[5]C[5]O)(O){3|C<4>}	109.1230	0.000	1	109.1230	0.000	1	109.1230	0.000	1	109.1230	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:4:4:	3:3:3:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]CC)(C[5]C[5]C)(COO)	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)2	C[5](C[5]C[5]C)2(COO)	C[5](C[5]C[5]CC)(C[5]C[5]C)(COO){1|C<3>,1|O<2>}	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)2{2|C<3>}	C[5](C[5]C[5]C)2(COO){1|O<2>,2|C<4>}	110.3290	0.000	1	110.3290	0.000	1	110.3290	0.000	1	110.9940	13.945	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:4:4:	3:3:3:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:C-4:C-4:	N[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]CC)(C[5]N[5]C)(CCH)	C[5](C[5]C[5]C)(C[5]N[5]O)(CH3)2	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(CCH)	C[5](C[5]C[5]CC)(C[5]N[5]C)(CCH){1|C<3>,1|O<1>}	C[5](C[5]C[5]C)(C[5]N[5]O)(CH3)2{2|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(CCH){1|O<1>,2|C<3>,2|C<4>}	106.3040	0.000	1	106.3040	0.000	1	106.3040	0.000	1	110.9940	13.945	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:4:4:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[5]-4:C-4:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(CH3)	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(N[5]C[5]2)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]N[5])(C[6a]C[6a]2){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(CH3){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(N[5]C[5]2){1|O<1>,1|O<2>,2|H<1>,3|C<3>,4|C<4>}	112.0810	0.000	1	112.0810	0.000	1	112.0810	0.000	1	110.9940	13.945	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:4:4:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	B[5]-3:C[5]-3:Si-4:Si-4:	C[5]-3:C[5]-3:B-3:	C[5](C[5]B[5]Si2)(C[6a]C[6a]2)(C[5]C[5]B)	C[5](B[5]C[6a]C[5])(C[5]C[6a]C[5])(SiC3)2	C[5](C[5]C[6a]C[5])(C[5]B[5]C)(BC[6a]2)	C[5](C[5]B[5]Si2)(C[6a]C[6a]2)(C[5]C[5]B){1|C<2>,2|F<1>,3|C<3>}	C[5](B[5]C[6a]C[5])(C[5]C[6a]C[5])(SiC3)2{1|B<3>,1|C<2>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]B[5]C)(BC[6a]2){2|Si<4>,3|C<3>}	115.2620	0.000	1	115.2620	0.000	1	115.2620	0.000	1	110.9940	13.945	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:4:4:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5]N[5]CC)(C[5]C[5]H)(CNO)	C[5](C[5]C[5]C)(N[5]C[5]O)(CH3)2	C[5](C[5]N[5]CC)(C[5]C[5]C)(H)	C[5](C[5]N[5]CC)(C[5]C[5]H)(CNO){1|O<1>,2|C<4>}	C[5](C[5]C[5]C)(N[5]C[5]O)(CH3)2{1|H<1>,2|C<4>}	C[5](C[5]N[5]CC)(C[5]C[5]C)(H){1|O<1>,2|C<4>}	112.5198	0.530	5	112.5198	0.281	5	112.5452	0.260	11	112.5452	0.260	11	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:3:4:4:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5]N[5]CC)(C[5]C[5]H)(COO)	C[5](C[5]C[5]C)(N[5]C[5]O)(CH3)2	C[5](C[5]N[5]CC)(C[5]C[5]C)(H)	C[5](C[5]N[5]CC)(C[5]C[5]H)(COO){1|O<1>,2|C<4>}	C[5](C[5]C[5]C)(N[5]C[5]O)(CH3)2{1|H<1>,2|C<4>}	C[5](C[5]N[5]CC)(C[5]C[5]C)(H){1|O<1>,2|C<4>}	112.5663	0.543	6	112.5663	0.295	6	112.5452	0.260	11	112.5452	0.260	11	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:4:1:1:	3:4:1:	C[5]-4:C[5]-3:C[6]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(C[6]C[6]2)	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(C[6]C[6]2){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(H){1|C<3>,1|C<4>,4|H<1>}	110.3895	0.052	2	110.3895	0.003	2	110.3895	0.003	2	110.3895	0.003	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:4:1:1:	3:4:3:	C[5]-4:C[4]-3:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:N-3:	C[5](C[5]C[5]HH)(C[4]S[4]2)(C[5]C[5]N)	C[5](C[5]C[4]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[4]C[5])(C[5]C[5]HH)(NHH)	C[5](C[5]C[5]HH)(C[4]S[4]2)(C[5]C[5]N){1|Ga<4>,4|H<1>}	C[5](C[5]C[4]C[5])(C[5]C[5]HH)(H)2{1|N<3>,2|H<1>,2|S<2>}	C[5](C[5]C[4]C[5])(C[5]C[5]HH)(NHH){2|S<2>,4|H<1>}	109.2125	0.596	2	109.2125	0.355	2	109.2125	0.355	2	109.7873	1.169	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:4:1:1:	3:4:3:	C[5]-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(N[5]C[5]2)	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(CCO)	C[5](C[5]C[5]HH)(C[5]C[5]C)(N[5]C[5]2){2|C<4>,8|H<1>}	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(CCO){2|C<4>,4|H<1>}	110.9370	0.000	1	110.9370	0.000	1	110.9370	0.000	1	109.7873	1.169	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[5]-3:N-3:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5]O[5]CH)(C[5]C[5]Cl)(NC[6a]H)	C[5](C[5]C[5]N)(CC[5a]HO)(O[5]C[5])(H)	C[5](C[5]C[5]N)(C[5]O[5]O)(Cl)	C[5](C[5]O[5]CH)(C[5]C[5]Cl)(NC[6a]H){1|O<1>}	C[5](C[5]C[5]N)(CC[5a]HO)(O[5]C[5])(H){1|Cl<1>,1|O<1>}	C[5](C[5]C[5]N)(C[5]O[5]O)(Cl){1|C<4>,1|H<1>}	107.1580	0.011	2	107.1580	0.000	2	107.1580	0.000	2	107.1580	0.000	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:4:2:3:	4:3:3:	C[5]-4:C[5]-3:C-3:	C[5]-3:C-4:O[5]-2:C-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5]O[5]CC)(C[5]C[5]C)(COO)	C[5](C[5]C[5]C)(CC[6a]HH)(O[5]C[5])(COO)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(COO)	C[5](C[5]O[5]CC)(C[5]C[5]C)(COO){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(CC[6a]HH)(O[5]C[5])(COO){1|H<1>,2|C<3>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(COO){1|C<4>,3|C<3>}	110.1730	0.000	1	110.1730	0.000	1	110.1730	0.000	1	110.1730	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:4:3:1:	3:2:1:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:S[5]-2:S-1:	C[5](C[5]C[6a]C[5]H)(C[5]S[5]S)(CCO)	C[5](C[6a]C[6a]2)(C[5]S[5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(S[5]C[5])(S)	C[5](C[5]C[6a]C[5]H)(C[5]S[5]S)(CCO){1|C<4>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]S[5]CC)(C[5]C[5]C)(H){1|S<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]C)(S[5]C[5])(S){1|C<4>,1|H<1>,2|C<3>}	114.4710	0.000	1	114.4710	0.000	1	114.4710	0.000	1	114.4710	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:4:3:1:	3:2:4:	C[5]-4:C[5]-3:C-3:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:C-4:	C[5](C[5]C[5a]C[5]H)(C[5]O[5]C)(COO)	C[5](C[5a]C[5a,6a]C[5a])(C[5]O[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(O[5]C[5])(CH3)	C[5](C[5]C[5a]C[5]H)(C[5]O[5]C)(COO){2|C<3>,2|H<1>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]O[5]HH)(C[5]C[5]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[5]C)(O[5]C[5])(CH3){1|C<3>,3|H<1>}	109.5090	0.000	1	109.5090	0.000	1	109.5090	0.000	1	109.2968	1.254	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:4:3:1:	3:2:4:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:C-4:	C[5](C[5]C[6a]C[5]H)(C[5]O[5]C)(CCO)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(O[5]C[5])(CH3)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]C)(CCO){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]C)(O[5]C[5])(CH3){2|C<3>,2|H<1>}	108.4465	1.503	2	108.4465	2.258	2	109.2438	1.653	4	109.2968	1.254	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:4:3:1:	3:2:4:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:C-4:	C[5](C[5]C[6a]C[5]H)(C[5]O[5]C)(COO)	C[5](C[6a]C[6a,6a]C[6a])(C[5]O[5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(O[5]C[5])(CH3)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]C)(COO){1|C<4>,3|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]O[5]CC)(C[5]C[5]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[5]C)(O[5]C[5])(CH3){1|C<4>,1|H<1>,2|C<3>}	110.3230	0.000	1	110.3230	0.000	1	109.2438	1.653	4	109.2968	1.254	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:4:3:1:	3:2:4:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:C-4:	C[5](C[5]C[6a]C[5]H)(C[5]O[5]C)(COO)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(O[5]C[5])(CH3)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]C)(COO){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5]C)(O[5]C[5])(CH3){1|C<3>,3|H<1>}	109.7590	0.000	1	109.7590	0.000	1	109.2438	1.653	4	109.2968	1.254	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5,6]-3:C[5]-4:C[5]-3:H-1:	C[5,6]-3:C[5]-3:O-1:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]O)(CHH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O[5]H)(C[5]C[5]C)(H)	C[5](C[5,6]C[5,6]2)(C[5]C[5]C)(O)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]O)(CHH){1|H<1>,1|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O[5]H)(C[5]C[5]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[5](C[5,6]C[5,6]2)(C[5]C[5]C)(O){1|C<3>,1|H<1>,4|C<4>}	107.5320	0.000	1	107.2160	0.200	2	107.2160	0.200	2	108.1166	4.437	16	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5,6]-3:C[5]-4:C[5]-3:H-1:	C[5,6]-3:C[5]-3:O-1:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]O)(CHH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O[5]H)(C[5]C[5]C)(H)	C[5](C[5,6]C[5,6]2)(C[5]C[5]C)(O)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]O)(CHH){1|H<1>,1|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O[5]H)(C[5]C[5]C)(H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]2)(C[5]C[5]C)(O){1|C<3>,1|H<1>,4|C<4>}	106.9000	0.000	1	107.2160	0.200	2	107.2160	0.200	2	108.1166	4.437	16	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5a]C[5]H)(C[5]C[5]H)(CC[6a]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5]H)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]H)(CC[6a]2){2|H<1>,3|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5]H)(C[5]C[5]C)(H){1|N<3>,3|H<1>,4|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){2|C<3>,2|H<1>}	106.7840	0.000	1	106.7840	0.000	1	106.7840	0.000	1	108.1166	4.437	16	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(CCN)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(CCN){1|C<4>,1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)(H){2|C<3>,4|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.0570	0.000	2	107.0570	0.000	2	108.2853	8.478	4	108.1166	4.437	16	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(CHH)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(CHH){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)(H){2|C<3>,4|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){2|C<3>,2|H<1>}	106.3990	0.000	1	106.3990	0.000	1	108.2853	8.478	4	108.1166	4.437	16	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(COO){2|C<2>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)(H){1|Cl<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5]C)2(H){1|C<3>,1|H<1>,2|C<2>}	112.6280	0.000	1	112.6280	0.000	1	108.2853	8.478	4	108.1166	4.437	16	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:F-1:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]F)(COO)	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(N[5]C[5]S)(F)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]F)(COO){1|S<4>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]C[5]C)(H){1|F<1>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(F){1|H<1>,3|C<3>}	109.5600	0.000	1	109.5600	0.000	1	109.5600	0.000	1	108.1166	4.437	16	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]H)(CC[6a]O)	C[5](C[6a]C[5a,6a]N[6a])(C[5]N[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(N[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]H)(CC[6a]O){1|N<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[5a,6a]N[6a])(C[5]N[5]CH)(C[5]C[5]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]H)(H){2|C<3>,2|H<1>}	107.6050	0.000	1	107.6050	0.000	1	107.6050	0.000	1	108.1166	4.437	16	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CCO)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(N[5]C[5]S)(O)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CCO){1|S<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]C)(H){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(O){1|C<3>,3|H<1>}	109.1190	0.000	1	109.1190	0.000	1	107.7800	1.611	3	108.1166	4.437	16	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CC[6a]H)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(N[5]C[5]H)(O)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CC[6a]H){2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]C)(H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]H)(O){1|C<3>,3|H<1>}	107.6270	0.000	1	107.6270	0.000	1	107.7800	1.611	3	108.1166	4.437	16	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CHH)	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(N[5]C[5]H)(O)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CHH){1|C<4>,1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]C[5]C)(H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]H)(O){1|C<4>,1|H<1>,2|C<3>}	106.5940	0.000	1	106.5940	0.000	1	107.7800	1.611	3	108.1166	4.437	16	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[5]-3:C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O[5])(C[5]N[5]H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]2)(H)	C[5](C[5]C[5]2)(N[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O[5])(C[5]N[5]H){1|N<3>,1|N<4>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]2)(H){1|O<2>,3|C<3>,4|H<1>}	C[5](C[5]C[5]2)(N[5]C[5]H)(H){1|O<2>,2|H<1>,3|C<3>}	108.5850	0.000	1	108.5850	0.000	1	108.5850	0.000	1	108.1166	4.437	16	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[5]-3:C[6]-3:	C[5]-3:C[5]-4:C-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]H)(C[6]C[6]2)	C[5](C[5]C[5]C[6])(C[5]C[5]CC)(CCO)(H)	C[5](C[5]C[5]C[6])(C[5]C[5]H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(C[6]C[6]2){2|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[5]C[6])(C[5]C[5]CC)(CCO)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]C[6])(C[5]C[5]H)(H){1|H<1>,2|C<4>,3|C<3>}	107.2330	0.000	1	107.2330	0.000	1	107.2330	0.000	1	108.1166	4.437	16	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[5]-3:C[6]-3:	C[5]-3:C[5]-4:N-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HN)(C[5]C[5]H)(C[6]C[6]2)	C[5](C[5]C[5]C[6])(C[5]C[5]HN)(NCN)(H)	C[5](C[5]C[5]C[6])(C[5]C[5]H)(H)	C[5](C[5]C[5]HN)(C[5]C[5]H)(C[6]C[6]2){1|N<3>,2|C<4>,6|H<1>}	C[5](C[5]C[5]C[6])(C[5]C[5]HN)(NCN)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]C[6])(C[5]C[5]H)(H){2|C<4>,2|H<1>,2|N<3>}	105.9780	0.000	1	105.9780	0.000	1	105.9780	0.000	1	108.1166	4.437	16	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[5]-3:N-3:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(NCC)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)(H)	C[5](C[5]C[5]N)(C[5]C[5]O)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(NCC){1|O<1>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]N)(C[5]C[5]O)(H){1|C<3>,3|H<1>}	113.2080	0.000	1	113.2080	0.000	1	113.2080	0.000	1	108.1166	4.437	16	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:4:3:1:	3:3:2:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-3:O[5]-2:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5])(CC[6a]O)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5])(CC[6a]O){2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5]){3|C<3>,5|H<1>}	109.0950	0.000	1	108.7555	0.231	2	108.7555	0.231	2	110.8073	12.745	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:4:3:1:	3:3:2:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-3:O[5]-2:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5])(CC[6a]O)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5])(CC[6a]O){2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(H){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5]){3|C<3>,5|H<1>}	108.4160	0.000	1	108.7555	0.231	2	108.7555	0.231	2	110.8073	12.745	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:4:3:1:	3:3:2:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-3:S[5]-2:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]S[5])(COO)	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(C[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(S[5]C[5])	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]S[5])(COO){2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(C[5]C[5]C)(H){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(S[5]C[5]){3|C<3>,5|H<1>}	114.9110	0.000	1	114.9110	0.000	1	114.9110	0.000	1	110.8073	12.745	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:4:3:1:	3:3:3:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CC[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CC[6a]O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]C){1|C<3>,3|H<1>}	113.9720	0.000	1	113.9720	0.000	1	113.9720	0.000	1	111.4233	5.773	7	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:4:3:1:	3:3:3:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:N-3:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(NC[6a]H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N)(COO){1|O<1>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(NC[6a]H){1|C<3>,3|H<1>}	113.3250	0.023	2	113.3250	0.001	2	113.3250	0.001	2	111.4233	5.773	7	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:4:3:1:	3:3:3:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(CCO)	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(CCO){2|C<4>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]C[5]C)(H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C){1|C<4>,3|H<1>,4|C<3>}	108.9130	0.000	1	108.9130	0.000	1	108.9130	0.000	1	111.4233	5.773	7	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:4:3:1:	3:3:3:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-4:C[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]C)(COO)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(COO)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]C)(COO){1|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]C)(H){2|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(COO){2|H<1>,4|C<3>}	109.4630	0.000	1	109.4630	0.000	1	109.4630	0.000	1	111.4233	5.773	7	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:4:3:1:	3:3:3:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-4:C[5]-3:H-1:	N[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(CC[6a]O)	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(CC[6a]O){1|C<4>,6|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]C[5]C)(H){2|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,3|H<1>,6|C<3>}	108.3620	0.000	1	108.3620	0.000	1	108.3620	0.000	1	111.4233	5.773	7	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:4:3:1:	3:3:3:	C[5]-4:C[5]-3:N-3:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(NC[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]N)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]C[5]O)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(NC[6a]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]N)(H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]C[5]O){1|C<4>,3|C<3>,4|H<1>}	112.6030	0.000	1	112.6030	0.000	1	112.6030	0.000	1	111.4233	5.773	7	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:4:3:1:	3:3:4:	C[5]-4:C[5]-3:C-3:	C[5,6a]-3:P[6]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]P[6]H)(C[5]C[5,6a]C)(CCC)	C[5](C[5,6a]C[5,6a]C[6a])(P[6]O[6]2O)(C[5]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCCH)	C[5](C[5]C[5,6a]P[6]H)(C[5]C[5,6a]C)(CCC){1|O<1>,2|C<3>,2|O<2>}	C[5](C[5,6a]C[5,6a]C[6a])(P[6]O[6]2O)(C[5]C[5]C)(H){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCCH){1|P<4>,2|C<3>,2|H<1>}	109.5390	0.000	1	109.5390	0.000	1	109.5390	0.000	1	110.7468	7.206	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:4:3:1:	3:3:4:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CC[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]CH)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CC[6a]O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]CH){1|C<3>,3|H<1>}	113.6430	0.000	1	113.6430	0.000	1	113.6430	0.000	1	110.7468	7.206	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:4:3:1:	3:3:4:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]C)(CC[6a]2)	C[5](C[6a]C[6a]2)(C[5]N[5]CO)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(N[5]C[5]O)(CCHH)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]C)(CC[6a]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]CO)(C[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]O)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	107.6280	0.000	1	107.6280	0.000	1	109.9025	10.347	2	110.7468	7.206	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:4:3:1:	3:3:4:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]C)(COO)	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(N[5]C[5]C)(CC[6a]HH)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]C)(COO){5|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]C[5]C)(H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5]C)(N[5]C[5]C)(CC[6a]HH){1|H<1>,3|C<3>}	112.1770	0.000	1	112.1770	0.000	1	109.9025	10.347	2	110.7468	7.206	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:4:3:1:	3:4:3:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(CHO)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(CHO){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]C)(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C){1|N<3>,3|C<3>,4|H<1>}	112.9383	0.583	4	112.9383	0.340	4	112.9383	0.340	4	113.8027	1.148	9	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:4:3:1:	3:4:3:	C[5]-4:C[5]-3:N-3:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[5a]C[5]H)(C[5]C[6a]C[5])(NCS)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]N)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)	C[5](C[5]C[5a]C[5]H)(C[5]C[6a]C[5])(NCS){4|C<3>,4|H<1>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]N)(H){1|N<3>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N){3|C<3>,5|H<1>}	114.2595	0.749	4	114.2595	0.561	4	114.2595	0.561	4	113.8027	1.148	9	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:4:3:1:	3:4:3:	C[5]-4:C[5]-3:N-3:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(NOO)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]N)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(NOO){1|C<2>,2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]N)(H){3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N){1|C<2>,3|H<1>,4|C<3>}	115.4330	0.000	1	115.4330	0.000	1	115.4330	0.000	1	113.8027	1.148	9	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:4:3:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5a]C[5]H)(C[5]C[5]H)(COO)	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]H)(COO){1|C<3>,1|S<2>,4|H<1>}	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){1|C<3>,3|H<1>}	113.3700	0.000	1	113.3700	0.000	1	113.3700	0.000	1	111.9583	3.793	9	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:4:3:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(CC[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(CC[6a]O){1|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(H){1|C<3>,3|H<1>}	112.1680	0.000	1	112.1680	0.000	1	113.0882	0.356	5	111.9583	3.793	9	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:4:3:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(COO){2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]C)(H){1|N<2>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(H){2|H<1>,4|C<3>}	113.6610	0.000	1	113.6610	0.000	1	113.0882	0.356	5	111.9583	3.793	9	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:4:3:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(COO){1|C<2>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)(H){2|C<3>,5|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){1|C<2>,1|H<1>,2|C<3>}	112.9570	0.000	1	112.9570	0.000	1	113.0882	0.356	5	111.9583	3.793	9	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:4:3:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[3]C[5]H)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(COO){1|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[3]C[5]H)(C[5]C[5]C)(H){2|C<3>,2|C<4>,3|H<1>}	113.5690	0.000	1	113.5690	0.000	1	113.0882	0.356	5	111.9583	3.793	9	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:4:3:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(COO){1|C<4>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)(H){2|C<3>,5|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,2|H<1>}	113.0860	0.000	1	113.0860	0.000	1	113.0882	0.356	5	111.9583	3.793	9	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:4:3:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]H){2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|C<3>,3|H<1>}	108.4050	0.000	1	108.4050	0.000	1	108.4050	0.000	1	111.9583	3.793	9	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:4:3:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	N[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:O-1:	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)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]N[5a]C[5]H)(C[5]C[5]O)(CCH){2|C<3>,4|H<1>}	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>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|N<3>,3|H<1>}	109.2650	0.000	1	109.2650	0.000	1	109.2650	0.000	1	111.9583	3.793	9	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:4:3:1:	4:3:1:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[5]C[5,6]CH)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5]S[6]2)(C[5]C[6a]C[5])(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5,6]H)(C[6a]C[6a]2){2|S<2>,3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5,6]CH)(C[6a]C[6a]2)(H){2|S<2>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5]S[6]2)(C[5]C[6a]C[5])(H){2|C<4>,2|H<1>,4|C<3>}	111.1440	0.000	1	111.1440	0.000	1	111.1440	0.000	1	111.9583	3.793	9	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:4:3:1:	4:3:2:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:O-2:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]FF)(C[5]C[5]C)(OH)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]O){2|C<3>,2|F<1>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H){1|O<2>,2|C<3>,2|F<1>,2|H<1>}	C[5](C[5]C[5]FF)(C[5]C[5]C)(OH){1|C<3>,3|H<1>}	110.1960	0.000	1	110.1960	0.000	1	110.1960	0.000	1	110.1993	1.092	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:4:3:1:	4:3:2:	C[5]-4:C[6a]-3:C[5]-3:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-2:	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5]H)(C[5]C[6a]C[5])(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(CC)	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C){4|H<1>,6|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5]H)(C[5]C[6a]C[5])(H){1|C<2>,1|N<3>,2|H<1>,7|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(CC){2|H<1>,6|C<3>}	110.2010	1.478	2	110.2010	2.184	2	110.2010	2.184	2	110.1993	1.092	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:4:3:2:	3:2:1:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[6a]C[5]O)(C[5]O[5]O)(CC[6a]C)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(OH)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[6a]C[5]O)(C[5]O[5]O)(CC[6a]C){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(OH){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|O<2>,2|H<1>}	106.7210	0.000	1	106.7210	0.000	1	106.7210	0.000	1	106.7210	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:4:3:2:	3:2:3:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-3:O[5]-2:C-3:	C[5](C[5]C[6a]C[5]O)(C[5]O[5]C)(COO)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(OH)	C[5](C[5]C[5]C)(O[5]C[5])(COO)	C[5](C[5]C[6a]C[5]O)(C[5]O[5]C)(COO){1|C<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(OH){2|H<1>,3|C<3>}	C[5](C[5]C[5]C)(O[5]C[5])(COO){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	109.5530	0.000	1	109.5530	0.000	1	109.5530	0.000	1	109.5530	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:4:3:2:	4:3:1:	C[5]-4:C[5]-3:N-3:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[6a]C[5]O)(C[5]C[5]H)(NCS)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)(OH)	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]H)(NCS){2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)(OH){2|C<3>,5|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(H){1|C<3>,1|O<2>,2|H<1>}	112.7745	1.275	2	112.7745	1.625	2	112.7745	1.625	2	112.7745	1.625	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:4:3:2:	4:3:4:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[6a]C[5]O)(C[5]C[5]C)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(OH)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]C)(COO){2|C<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(OH){1|C<4>,2|C<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3){1|C<3>,1|O<2>,2|H<1>}	113.4490	0.000	1	113.4490	0.000	1	113.4490	0.000	1	113.4490	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:4:4:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[5,5]-4:C-4:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(CH3)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5,5]O)(COO)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,1|O<1>,2|O<2>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(CH3)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5,5]O)(COO){1|H<1>,2|C<4>,3|C<3>}	111.0610	0.000	1	110.9595	0.021	2	110.9595	0.021	2	110.9595	0.021	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:4:4:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[5,5]-4:C-4:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(CH3)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5,5]O)(COO)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(CH3)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5,5]O)(COO){1|H<1>,2|C<3>,3|C<4>}	110.8580	0.000	1	110.9595	0.021	2	110.9595	0.021	2	110.9595	0.021	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	3:4:4:4:	3:4:1:	C[5]-4:C[5]-3:C[6]-3:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-3:C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]H)(C[6]C[6]2)	C[5](C[5]C[5]C[6])(C[5]C[5]CH)(CCHH)(CH3)	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(C[6]C[6]2){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5](C[5]C[5]C[6])(C[5]C[5]CH)(CCHH)(CH3){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(H){1|C<3>,1|H<1>,4|C<4>}	110.7120	0.000	1	110.7120	0.000	1	110.7120	0.000	1	110.7120	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	2:3:1:	C[5]-4:C[5]-3:C-3:	C[5,5]-4:C[5]-3:H-1:H-1:	O[5]-2:C[5]-3:O-1:	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(CCH)	C[5](C[5,5]C[3,5]C[5,6]O[5])(C[5]C[5]C)(H)2	C[5](O[5]C[5,5])(C[5]C[5]C)(O)	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(CCH){2|C<4>}	C[5](C[5,5]C[3,5]C[5,6]O[5])(C[5]C[5]C)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[5](O[5]C[5,5])(C[5]C[5]C)(O){2|C<4>,2|H<1>}	108.1467	0.786	4	108.1467	0.618	4	107.8535	0.625	6	107.8535	0.625	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	2:3:1:	C[5]-4:C[5]-3:C-3:	C[5,5]-4:C[5]-3:H-1:H-1:	O[5]-2:C[5]-3:O-1:	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(CHH)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]C)(H)2	C[5](O[5]C[5,5])(C[5]C[5]C)(O)	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(CHH){2|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]C)(H)2{1|N<3>,2|C<3>,2|O<1>}	C[5](O[5]C[5,5])(C[5]C[5]C)(O){2|C<3>,2|H<1>}	107.2670	0.489	2	107.2670	0.239	2	107.8535	0.625	6	107.8535	0.625	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	3:2:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]HH)(C[5]O[5]O)(CCN)	C[5](C[5]O[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CCN){2|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]C)(H)2{1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){4|H<1>}	108.9970	0.442	4	108.9970	0.195	4	108.2790	1.245	13	108.2790	1.245	13	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	3:2:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]HH)(C[5]O[5]O)(CCO)	C[5](C[5]O[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CCO){2|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]C)(H)2{1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){4|H<1>}	109.7970	0.980	2	109.7970	0.960	2	108.2790	1.245	13	108.2790	1.245	13	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	3:2:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]HH)(C[5]O[5]O)(CCS)	C[5](C[5]O[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CCS){2|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]C)(H)2{1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){4|H<1>}	107.9960	0.000	1	107.9960	0.000	1	108.2790	1.245	13	108.2790	1.245	13	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	3:2:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6]O)	C[5](C[5]O[5]CH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6]O){1|C<4>,1|H<1>}	C[5](C[5]O[5]CH)(C[5]C[5]C)(H)2{1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<4>,3|H<1>}	106.4560	0.000	1	106.4560	0.000	1	108.2790	1.245	13	108.2790	1.245	13	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	3:2:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(H)2	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(H)2{1|O<1>,2|C<3>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,3|H<1>}	107.9430	0.000	1	107.9430	0.000	1	108.2790	1.245	13	108.2790	1.245	13	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	3:2:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]H)	C[5](C[5]O[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]H){2|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]C)(H)2{1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){4|H<1>}	107.5220	0.168	3	107.5220	0.028	3	108.2790	1.245	13	108.2790	1.245	13	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	3:2:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]HH)(C[5]O[5]O)(CHH)	C[5](C[5]O[5]CH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CHH){1|C<4>,1|H<1>}	C[5](C[5]O[5]CH)(C[5]C[5]C)(H)2{1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<4>,3|H<1>}	107.0840	0.000	1	107.0840	0.000	1	108.2790	1.245	13	108.2790	1.245	13	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	3:2:2:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:O[5]-2:N-2:	C[5](C[5]C[5]HH)(C[5]O[5]N)(CCH)	C[5](C[5]O[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]C)(O[5]C[5])(NC[6a])	C[5](C[5]C[5]HH)(C[5]O[5]N)(CCH){2|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]C)(H)2{1|N<2>}	C[5](C[5]C[5]C)(O[5]C[5])(NC[6a]){4|H<1>}	107.9760	0.000	1	107.9760	0.000	1	107.9760	0.000	1	107.9760	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	3:2:3:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:O[5]-2:C-3:	C[5](C[5]C[5]HH)(C[5]O[5]C)(CNO)	C[5](C[5]O[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]C)(O[5]C[5])(CCH)	C[5](C[5]C[5]HH)(C[5]O[5]C)(CNO){2|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]C)(H)2{1|C<3>}	C[5](C[5]C[5]C)(O[5]C[5])(CCH){4|H<1>}	109.1840	0.000	1	109.1840	0.000	1	109.1840	0.000	1	113.1723	7.287	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	3:2:3:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:S[5]-2:N-3:	C[5](C[5]C[5]HH)(C[5]S[5]N)(COO)	C[5](C[5]C[6a]S[5]H)(C[5]C[5]C)(H)2	C[5](C[5]C[5]C)(S[5]C[5])(NHH)	C[5](C[5]C[5]HH)(C[5]S[5]N)(COO){1|C<3>,1|H<1>}	C[5](C[5]C[6a]S[5]H)(C[5]C[5]C)(H)2{1|N<3>,2|C<3>}	C[5](C[5]C[5]C)(S[5]C[5])(NHH){1|C<3>,3|H<1>}	114.5017	0.572	3	114.5017	0.327	3	114.5017	0.327	3	113.1723	7.287	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-3:C[5]-3:O-1:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CC[6a]H)	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5]C[5]C)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]C)(O)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CC[6a]H){1|C<4>,2|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5]C[5]C)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]C)(O){3|C<3>,4|H<1>}	104.8410	0.000	1	104.8410	0.000	1	106.7960	1.762	4	108.2125	2.921	42	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-3:C[5]-3:O-1:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CC[6a]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]C)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]C)(O)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CC[6a]H){1|H<1>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]C)(H)2{1|O<1>,2|C<4>,2|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]C)(O){2|C<4>,5|H<1>}	107.2020	0.000	1	107.2020	0.000	1	106.7960	1.762	4	108.2125	2.921	42	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-3:C[5]-3:O-1:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CC[6a]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]C)(H)2	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]C)(O)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]C)(H)2{1|O<1>,2|C<3>,2|H<1>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]C)(O){1|C<4>,2|C<3>,3|H<1>}	107.3470	0.000	1	107.3470	0.000	1	106.7960	1.762	4	108.2125	2.921	42	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-3:C[5]-3:O-1:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CHH)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]C)(H)2	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]C)(O)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CHH){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]C)(H)2{1|O<1>,2|C<3>,2|H<1>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]C)(O){1|C<4>,2|C<3>,3|H<1>}	107.7940	0.000	1	107.7940	0.000	1	106.7960	1.762	4	108.2125	2.921	42	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5,5]-4:C[5]-3:H-1:H-1:	N[5]-3:C[5]-3:O-1:	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(CHH)	C[5](C[5,5]C[5,6a]N[5]2)(C[5]C[5]C)(H)2	C[5](N[5]C[5,5]C[6a])(C[5]C[5]C)(O)	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(CHH){1|N<3>,2|C<3>}	C[5](C[5,5]C[5,6a]N[5]2)(C[5]C[5]C)(H)2{1|H<1>,1|O<1>,4|C<3>}	C[5](N[5]C[5,5]C[6a])(C[5]C[5]C)(O){1|N<3>,2|H<1>,3|C<3>}	107.2060	0.000	1	107.2060	0.000	1	107.1950	0.000	2	108.2125	2.921	42	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5,5]-4:C[5]-3:H-1:H-1:	N[5]-3:C[5]-3:O-1:	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(CHH)	C[5](C[5,5]C[5,6a]N[5]O[5])(C[5]C[5]C)(H)2	C[5](N[5]C[5,5]C[6a])(C[5]C[5]C)(O)	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(CHH){1|O<2>,2|C<3>}	C[5](C[5,5]C[5,6a]N[5]O[5])(C[5]C[5]C)(H)2{1|O<1>,4|C<3>}	C[5](N[5]C[5,5]C[6a])(C[5]C[5]C)(O){1|O<2>,2|H<1>,3|C<3>}	107.1840	0.000	1	107.1840	0.000	1	107.1950	0.000	2	108.2125	2.921	42	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[5]-3:O-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(O)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]H){1|C<3>,1|H<1>,1|O<2>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C)(H)2{1|O<1>,2|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(O){1|C<3>,1|O<2>,4|H<1>}	108.1410	0.000	1	108.1410	0.000	1	108.1410	0.000	1	108.2125	2.921	42	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5,6]HH)(C[5]C[5]H)(COO)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]C)(H)2	C[5](C[5]C[5,6]Br)(C[5]C[5]C)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5]H)(COO){1|Br<1>,2|C<4>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]C)(H)2{1|Br<1>,2|C<4>,5|H<1>}	C[5](C[5]C[5,6]Br)(C[5]C[5]C)(H){2|C<4>,2|H<1>}	110.1990	0.000	1	110.1990	0.000	1	110.1990	0.000	1	108.2125	2.921	42	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5,6]-4:C[5]-3:H-1:H-1:	N[5,6]-3:C[5]-3:O-1:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(CC[6a]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]C)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(O)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(CC[6a]H){1|H<1>,2|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]C)(H)2{1|O<1>,2|C<4>,2|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(O){2|C<4>,5|H<1>}	107.1030	0.000	1	107.1030	0.000	1	107.1030	0.000	1	108.2125	2.921	42	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:F-1:F-1:	C[5]-3:C[5]-3:F-1:	C[5](C[5]C[5]FF)(C[5]C[5]F)(CHP)	C[5](C[5]C[5]FF)(C[5]C[5]C)(F)2	C[5](C[5]C[5]C)(C[5]C[5]O)(F)	C[5](C[5]C[5]FF)(C[5]C[5]F)(CHP){1|O<1>,2|F<1>}	C[5](C[5]C[5]FF)(C[5]C[5]C)(F)2{1|F<1>,1|O<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(F){4|F<1>}	105.2720	0.000	1	105.2720	0.000	1	105.3343	0.010	3	108.2125	2.921	42	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:F-1:F-1:	C[5]-3:C[5]-3:F-1:	C[5](C[5]C[5]FF)(C[5]C[5]F)(CHP)	C[5](C[5]C[5]FF)(C[5]C[5]C)(F)2	C[5](C[5]C[5]C)2(F)	C[5](C[5]C[5]FF)(C[5]C[5]F)(CHP){1|C<3>,2|F<1>}	C[5](C[5]C[5]FF)(C[5]C[5]C)(F)2{1|C<3>,1|F<1>}	C[5](C[5]C[5]C)2(F){4|F<1>}	105.3655	0.117	2	105.3655	0.014	2	105.3343	0.010	3	108.2125	2.921	42	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCC)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]C)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCC){1|O<2>,2|C<3>}	C[5](C[5]C[6a]C[5]O)(C[5]C[5]C)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){1|O<2>,2|H<1>,3|C<3>}	108.6050	0.000	1	108.6050	0.000	1	107.1720	1.970	3	108.2125	2.921	42	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCH){1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]C)2(H){4|H<1>}	107.1110	0.000	1	107.1110	0.000	1	107.1720	1.970	3	108.2125	2.921	42	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]2)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]C)(H)2	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]2){1|C<3>,2|H<1>}	C[5](C[5]C[5a]C[5]H)(C[5]C[5]C)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|C<3>,3|H<1>}	105.8000	0.000	1	105.8000	0.000	1	107.1720	1.970	3	108.2125	2.921	42	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:O-1:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]C)2(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCH){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[5]C)2(O){4|H<1>}	109.7450	0.000	1	109.7450	0.000	1	109.1934	0.266	18	108.2125	2.921	42	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:O-1:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[5a]H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]C)2(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[5a]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[5]C)2(O){4|H<1>}	109.5315	0.252	2	109.5315	0.064	2	109.1934	0.266	18	108.2125	2.921	42	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:O-1:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]C)2(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[5]C)2(O){1|C<4>,3|H<1>}	107.7140	0.000	1	107.7140	0.000	1	109.1934	0.266	18	108.2125	2.921	42	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:O-1:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]C)2(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[5]C)2(O){4|H<1>}	109.2114	0.365	14	109.2114	0.133	14	109.1934	0.266	18	108.2125	2.921	42	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]H)(CC[6a]H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]C)(N[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]H)(CC[6a]H){3|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(H)2{2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]H)(H){4|H<1>}	105.7655	0.312	2	105.7655	0.097	2	105.7655	0.097	2	108.2125	2.921	42	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]H)	C[5](C[5]N[5]CC)(C[5]C[5]C)(H)2	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]H){1|C<4>,2|C<3>}	C[5](C[5]N[5]CC)(C[5]C[5]C)(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|C<3>,1|C<4>,2|H<1>}	109.6330	0.000	1	109.6330	0.000	1	107.7390	1.969	4	108.2125	2.921	42	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]H)	C[5](C[5]N[5]CH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]C)(N[5]C[5]H)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]H){1|C<4>,2|H<1>}	C[5](C[5]N[5]CH)(C[5]C[5]C)(H)2{1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(N[5]C[5]H)(O){1|C<4>,3|H<1>}	106.6750	0.021	2	106.6750	0.000	2	107.7390	1.969	4	108.2125	2.921	42	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CHH)	C[5](C[5]N[5]CH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CHH){1|H<1>,2|C<4>}	C[5](C[5]N[5]CH)(C[5]C[5]C)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|C<4>,3|H<1>}	107.9730	0.000	1	107.9730	0.000	1	107.7390	1.969	4	108.2125	2.921	42	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	N[5]-3:C[5]-3:O-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CHH)	C[5](C[5]C[6a]N[5]C)(C[5]C[5]C)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CHH){3|C<3>}	C[5](C[5]C[6a]N[5]C)(C[5]C[5]C)(H)2{1|O<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(O){2|H<1>,4|C<3>}	108.7680	0.000	1	108.7680	0.000	1	108.7680	0.000	1	108.2125	2.921	42	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	3:3:1:	C[5]-4:C[5]-3:N-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(NC[6a]H)	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	C[5](C[5]C[5]N)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(NC[6a]H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{1|H<1>,1|O<1>}	C[5](C[5]C[5]N)(C[5]C[5]O)(H){4|H<1>}	111.9280	0.000	1	111.9280	0.000	1	111.8250	0.021	2	108.2125	2.921	42	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	3:3:1:	C[5]-4:C[5]-3:N-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(NHH)	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	C[5](C[5]C[5]N)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(NHH){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{1|H<1>,1|O<1>}	C[5](C[5]C[5]N)(C[5]C[5]O)(H){4|H<1>}	111.7220	0.000	1	111.7220	0.000	1	111.8250	0.021	2	108.2125	2.921	42	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	3:3:2:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCC)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]C)2(OSi)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCC){1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<4>,1|O<2>}	C[5](C[5]C[5]C)2(OSi){4|H<1>}	104.4120	0.000	1	104.4120	0.000	1	105.5325	2.511	2	105.5325	2.511	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	3:3:2:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]C)2(OC[5,5])	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCH){1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<4>,1|O<2>}	C[5](C[5]C[5]C)2(OC[5,5]){4|H<1>}	106.6530	0.000	1	106.6530	0.000	1	105.5325	2.511	2	105.5325	2.511	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	3:3:3:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]C)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CC[6a]O)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]C){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{2|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CC[6a]O){2|C<3>,4|H<1>}	106.8330	0.000	1	106.8330	0.000	1	106.8330	0.000	1	106.8330	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	3:3:4:	C[5]-4:C[5]-3:C-3:	C[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-3:C[5]-3:C-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]C)(COO)	C[5](C[5,5]N[5,5]C[6a]C[5])(C[5]C[5]C)(H)2	C[5](N[5,5]C[5,5]N[5])(C[5]C[5]C)(CH3)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]C)(COO){1|C<3>,1|C<4>,1|N<3>}	C[5](C[5,5]N[5,5]C[6a]C[5])(C[5]C[5]C)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5](N[5,5]C[5,5]N[5])(C[5]C[5]C)(CH3){2|C<3>,2|C<4>,2|H<1>}	110.2890	0.000	1	110.2890	0.000	1	110.2890	0.000	1	112.5302	2.214	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	3:3:4:	C[5]-4:C[5]-3:N-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(NC[6a]H)	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	C[5](C[5]C[5]N)(C[5]C[5]O)(CCHH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(NC[6a]H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]N)(C[5]C[5]O)(CCHH){4|H<1>}	111.9820	0.000	1	111.9820	0.000	1	112.3265	0.237	2	112.5302	2.214	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	3:3:4:	C[5]-4:C[5]-3:N-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(NC[6a]H)	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	C[5](C[5]C[5]N)(C[5]C[5]O)(CCHN)	C[5](C[5]C[5]HH)(C[5]C[5]C)(NC[6a]H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]N)(C[5]C[5]O)(CCHN){4|H<1>}	112.6710	0.000	1	112.6710	0.000	1	112.3265	0.237	2	112.5302	2.214	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:Si-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]C[5]Si)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5,5]O)(SiC3)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]C[5]Si){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(H)2{1|Si<4>,1|N<3>,2|O<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5,5]O)(SiC3){2|H<1>,4|C<3>}	113.8545	0.073	2	113.8545	0.005	2	113.8545	0.005	2	112.5302	2.214	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]H)(COO)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(H)2	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]H)(COO){2|C<4>,2|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(H){1|C<3>,2|C<4>,4|H<1>}	112.7230	0.000	1	113.3535	0.795	2	113.3535	0.795	2	110.1121	2.066	57	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]H)(COO)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(H)2	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]H)(COO){2|C<4>,2|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(H)2{1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(H){1|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	113.9840	0.000	1	113.3535	0.795	2	113.3535	0.795	2	110.1121	2.066	57	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(CCN)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(H)2	C[5](C[5,5]C[5,5]B[5]H)(C[5]C[5]C)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(CCN){1|B<4>,1|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(H)2{1|B<4>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]B[5]H)(C[5]C[5]C)(H){3|H<1>,4|C<3>}	110.7990	0.820	2	110.7990	0.673	2	110.7990	0.673	2	110.1121	2.066	57	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:O-1:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(CC[6a]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(O)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(CC[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(H)2{1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(O){1|C<3>,1|C<4>,4|H<1>}	109.2450	0.000	1	109.2450	0.000	1	108.8735	0.276	2	110.1121	2.066	57	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:O-1:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(CC[6a]H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]C)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(O)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(CC[6a]H){1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(O){1|C<3>,2|N<3>,4|H<1>}	108.5020	0.000	1	108.5020	0.000	1	108.8735	0.276	2	110.1121	2.066	57	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]HH)(C[5]C[5]H)(COO)	C[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]C)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5]H)(COO){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]C)(H)2{1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,2|H<1>}	111.3260	0.000	1	111.3260	0.000	1	111.1965	0.034	2	110.1121	2.066	57	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]HH)(C[5]C[5]H)(COO)	C[5](C[5,5]C[5]3)(C[5]C[5]C)(H)2	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]C)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5]H)(COO){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,5]C[5]3)(C[5]C[5]C)(H)2{1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]C)(H){1|C<4>,2|H<1>,3|C<3>}	111.0670	0.000	1	111.0670	0.000	1	111.1965	0.034	2	110.1121	2.066	57	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:Br-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]Br)(CHO)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]C)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(Br)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]Br)(CHO){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]C)(H)2{1|Br<1>,1|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(Br){2|C<4>,5|H<1>}	109.6340	0.000	1	109.6340	0.000	1	109.6340	0.000	1	110.1121	2.066	57	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:Cl-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]Cl)(CHO)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]C)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(Cl)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]Cl)(CHO){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]C)(H)2{1|Cl<1>,1|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(Cl){2|C<4>,5|H<1>}	109.9304	0.300	7	109.9304	0.090	7	109.9304	0.090	7	110.1121	2.066	57	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(CCN)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(CCN){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(H){1|C<4>,2|C<3>,4|H<1>}	110.3400	0.000	1	110.3400	0.000	1	110.3400	0.000	1	110.1121	2.066	57	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:O-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]C)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(O)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[5]H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]C)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(O){2|C<4>,5|H<1>}	108.5840	0.199	2	108.5840	0.040	2	108.3247	0.174	12	110.1121	2.066	57	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:O-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]C)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(O)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]C)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(O){2|C<4>,5|H<1>}	108.2131	0.417	9	108.2131	0.174	9	108.3247	0.174	12	110.1121	2.066	57	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:O-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CHN)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]C)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(O)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CHN){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]C)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(O){2|C<4>,5|H<1>}	108.8100	0.000	1	108.8100	0.000	1	108.3247	0.174	12	110.1121	2.066	57	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]HH)(C[5]C[5]H)(COO)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]C)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5]H)(COO){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]C)(H)2{1|O<1>,3|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,2|H<1>}	112.3900	0.000	1	112.3900	0.000	1	112.3900	0.000	1	110.1121	2.066	57	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:Cl-1:	C[5](C[5]C[5]HH)(C[5]C[5]Cl)(CCH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(Cl)	C[5](C[5]C[5]HH)(C[5]C[5]Cl)(CCH){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|Cl<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(Cl){4|H<1>}	109.2550	0.000	1	109.2550	0.000	1	109.2550	0.000	1	110.1121	2.066	57	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCO)	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCO){2|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2{3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){2|C<3>,2|H<1>}	111.4110	0.000	1	111.4110	0.000	1	111.3692	0.589	8	110.1121	2.066	57	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[5]H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[5]H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){4|H<1>}	110.4190	0.000	1	110.4190	0.000	1	111.3692	0.589	8	110.1121	2.066	57	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[5]O)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[5]O){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){4|H<1>}	111.3440	0.000	1	111.3440	0.000	1	111.3692	0.589	8	110.1121	2.066	57	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CN[6]O)	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CN[6]O){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(H){1|C<4>,2|C<3>,3|H<1>}	111.7590	0.000	1	111.7590	0.000	1	111.3692	0.589	8	110.1121	2.066	57	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(COO)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(COO){2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]C)(C[5]C[5]C)(H)2{2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){2|C<3>,2|H<1>}	110.7570	0.000	1	110.7570	0.000	1	111.3692	0.589	8	110.1121	2.066	57	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(COO)	C[5](C[5]C[6a]C[5]P)(C[5]C[5]C)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(COO){1|C<3>,1|C<4>,1|H<1>,1|P<4>}	C[5](C[5]C[6a]C[5]P)(C[5]C[5]C)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(H){1|C<3>,1|P<4>,2|H<1>}	112.3540	0.296	2	112.3540	0.087	2	111.3692	0.589	8	110.1121	2.066	57	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CRuC)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CRuC){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){4|H<1>}	110.5560	0.000	1	110.5560	0.000	1	111.3692	0.589	8	110.1121	2.066	57	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCH)	C[5](C[5]C[5]2H)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCH){1|C<4>,3|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]C)(H)2{1|Fe<10>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|C<4>,3|H<1>}	108.8775	0.366	2	108.8775	0.134	2	109.1390	1.783	5	110.1121	2.066	57	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]F)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]F){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){4|H<1>}	109.2460	0.000	1	109.2460	0.000	1	109.1390	1.783	5	110.1121	2.066	57	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(O){4|H<1>}	107.5080	0.000	1	107.5080	0.000	1	109.1390	1.783	5	110.1121	2.066	57	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CHN)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CHN){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){4|H<1>}	111.1860	0.000	1	111.1860	0.000	1	109.1390	1.783	5	110.1121	2.066	57	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]HH)(C[5]C[5]H)(C[6]C[6]2)	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]C[6])(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]C[6])(H)	C[5](C[5]C[5,6]HH)(C[5]C[5]H)(C[6]C[6]2){1|C<3>,1|N<2>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]C[6])(H)2{1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]C[6])(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	110.8995	0.285	2	110.8995	0.081	2	110.8995	0.081	2	110.1121	2.066	57	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C[6a]-3:	C[3x5]-4:C[5]-3:H-1:H-1:	C[3x5]-4:C[5]-3:H-1:	C[5](C[5]C[3x5]HH)(C[5]C[3x5]H)(C[6a]C[6a]2)	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[6a]C[5])(H)2	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[6a]C[5])(H)	C[5](C[5]C[3x5]HH)(C[5]C[3x5]H)(C[6a]C[6a]2){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[6a]C[5])(H)2{1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[6a]C[5])(H){2|C<4>,2|O<2>,3|C<3>,5|H<1>}	111.5390	0.000	1	111.5390	0.000	1	111.5390	0.000	1	110.1121	2.066	57	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C[6a]-3:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(H)2	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5])(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(C[6a]C[6a]2){1|O<2>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(H)2{1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5])(H){2|H<1>,5|C<3>}	111.0120	0.000	1	111.0120	0.000	1	110.8015	0.131	4	110.1121	2.066	57	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C[6a]-3:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(H){4|C<3>,5|H<1>}	110.2990	0.000	1	110.7313	0.167	3	110.8015	0.131	4	110.1121	2.066	57	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C[6a]-3:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(H)2{4|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	110.9475	0.230	2	110.7313	0.167	3	110.8015	0.131	4	110.1121	2.066	57	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[6a]C[5])(H)2	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[6a]C[5])(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[6a]C[5])(H)2{1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[6a]C[5])(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	110.1350	0.000	1	110.1350	0.000	1	110.5087	1.100	3	110.1121	2.066	57	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[6a]C[5])(H)2	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[6a]C[5])(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[6a]C[5])(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[6a]C[5])(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	109.6980	0.000	1	109.6980	0.000	1	110.5087	1.100	3	110.1121	2.066	57	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]C[5])(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5])(H)2{1|C<4>,1|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]C[5])(H){1|N<3>,3|C<3>,5|H<1>}	111.6930	0.000	1	111.6930	0.000	1	110.5087	1.100	3	110.1121	2.066	57	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:1:	C[5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(H)2	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]C[5])(H)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]C[5]H){3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(H)2{1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]C[5])(H){2|H<1>,6|C<3>}	111.0160	0.846	2	111.0160	0.715	2	110.7317	0.600	3	110.1121	2.066	57	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:1:	C[5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]C[5])(H)2	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]C[5])(H)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]C[5]H){1|O<2>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]C[5])(H)2{1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]C[5])(H){1|O<2>,2|H<1>,5|C<3>}	110.1630	0.000	1	110.1630	0.000	1	110.7317	0.600	3	110.1121	2.066	57	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:2:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:N-2:	C[5](C[5]C[5]HH)(C[5]C[5]N)(CC[6a]C)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(NN)	C[5](C[5]C[5]HH)(C[5]C[5]N)(CC[6a]C){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|N<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(NN){4|H<1>}	105.7790	0.085	2	105.7790	0.007	2	106.9037	1.414	6	108.1260	4.585	9	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:2:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:N-2:	C[5](C[5]C[5]HH)(C[5]C[5]N)(CC[6a]C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(NN)	C[5](C[5]C[5]HH)(C[5]C[5]N)(CC[6a]C){1|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(H)2{1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(NN){1|C<3>,3|H<1>}	106.5800	0.051	2	106.5800	0.003	2	106.9037	1.414	6	108.1260	4.585	9	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:2:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:N-2:	C[5](C[5]C[5]HH)(C[5]C[5]N)(CSS)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(NH)	C[5](C[5]C[5]HH)(C[5]C[5]N)(CSS){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|N<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(NH){4|H<1>}	108.3520	0.355	2	108.3520	0.126	2	106.9037	1.414	6	108.1260	4.585	9	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:2:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:O-2:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCO)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(OAl)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCO){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(OAl){4|H<1>}	110.5707	1.165	3	110.5707	1.357	3	110.5707	1.357	3	108.1260	4.585	9	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:C-3:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5,5]HH)(C[5]C[5]C)(CC[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]C)(CC[6a]H)	C[5](C[5]C[5,5]HH)(C[5]C[5]C)(CC[6a]H){2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5]HH)(C[5]C[5]C)(CC[6a]H){2|C<3>,2|H<1>}	107.5500	0.272	2	107.5500	0.074	2	107.5500	0.074	2	110.0596	3.566	89	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCC)	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCC){2|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH){2|C<3>,2|H<1>}	107.7405	0.401	2	107.7405	0.161	2	109.8255	5.039	40	110.0596	3.566	89	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCC)	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]C)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCC){2|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]C){2|C<3>,2|H<1>}	107.2470	0.000	1	107.2470	0.000	1	109.8255	5.039	40	110.0596	3.566	89	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH)	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCC)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH){2|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCC){2|C<3>,2|H<1>}	107.7615	0.701	2	107.7615	0.491	2	109.8255	5.039	40	110.0596	3.566	89	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH)	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH){2|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH){2|C<3>,2|H<1>}	111.9821	0.201	7	111.9821	0.040	7	109.8255	5.039	40	110.0596	3.566	89	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH)	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCO)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH){2|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCO){2|C<3>,2|H<1>}	110.6000	0.000	1	110.6000	0.000	1	109.8255	5.039	40	110.0596	3.566	89	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH)	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH){2|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHH){2|C<3>,2|H<1>}	107.5045	0.395	2	107.5045	0.156	2	109.8255	5.039	40	110.0596	3.566	89	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH)	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]O)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]O){1|C<4>,3|H<1>}	110.7630	0.000	1	110.7630	0.000	1	109.8255	5.039	40	110.0596	3.566	89	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCO)	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCO){2|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH){2|C<3>,2|H<1>}	112.1870	0.000	1	112.1870	0.000	1	109.8255	5.039	40	110.0596	3.566	89	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCO)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCO)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCO){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCO){4|H<1>}	110.8350	0.277	2	110.8350	0.077	2	109.8255	5.039	40	110.0596	3.566	89	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCO)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(COO)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCO){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(COO){4|H<1>}	110.4080	0.000	1	110.4080	0.000	1	109.8255	5.039	40	110.0596	3.566	89	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]O)	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]O){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH){1|C<4>,3|H<1>}	111.8030	0.000	1	111.8030	0.000	1	109.8255	5.039	40	110.0596	3.566	89	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]2)	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCC)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]2){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2{1|C<3>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCC){1|C<3>,3|H<1>}	105.3370	0.000	1	105.3370	0.000	1	109.8255	5.039	40	110.0596	3.566	89	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]C)	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCC)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]C){2|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCC){2|C<3>,2|H<1>}	105.3450	0.000	1	105.3450	0.000	1	109.8255	5.039	40	110.0596	3.566	89	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]H){2|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]H){2|C<3>,2|H<1>}	109.1335	0.166	2	109.1335	0.028	2	109.8255	5.039	40	110.0596	3.566	89	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]P)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]H){2|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]P){2|C<3>,2|H<1>}	108.3780	0.000	1	108.3780	0.000	1	109.8255	5.039	40	110.0596	3.566	89	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]P)	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]P){2|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]H){2|C<3>,2|H<1>}	106.3260	0.000	1	106.3260	0.000	1	109.8255	5.039	40	110.0596	3.566	89	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHH)	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHH){2|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH){2|C<3>,2|H<1>}	107.7120	0.113	2	107.7120	0.013	2	109.8255	5.039	40	110.0596	3.566	89	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CN[5]Si)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHH){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CN[5]Si){4|H<1>}	107.0510	0.000	1	107.0510	0.000	1	109.8255	5.039	40	110.0596	3.566	89	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CN[5]Si)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CN[5]Si){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHH){4|H<1>}	106.9550	0.000	1	106.9550	0.000	1	109.8255	5.039	40	110.0596	3.566	89	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CN[6]O)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(COO)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CN[6]O){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(COO){4|H<1>}	111.6685	0.655	2	111.6685	0.430	2	109.8255	5.039	40	110.0596	3.566	89	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(COO)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCO)	C[5](C[5]C[5]HH)(C[5]C[5]C)(COO){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCO){4|H<1>}	111.4390	0.000	1	111.4390	0.000	1	109.8255	5.039	40	110.0596	3.566	89	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(COO)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CN[6]O)	C[5](C[5]C[5]HH)(C[5]C[5]C)(COO){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CN[6]O){4|H<1>}	111.6655	0.578	2	111.6655	0.334	2	109.8255	5.039	40	110.0596	3.566	89	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CRuC)	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CRuC)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CRuC){2|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CRuC){2|C<3>,2|H<1>}	111.8155	0.745	4	111.8155	0.555	4	109.8255	5.039	40	110.0596	3.566	89	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5]C[5]HH)(C[5]C[5]2)(CCC)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]2)(C[5]C[5]C)	C[5](C[5]C[5]HH)(C[5]C[5]2)(CCC){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(C[5]C[5]C){1|C<3>,2|C<4>,6|H<1>}	108.2640	0.000	1	108.2640	0.000	1	108.2640	0.000	1	110.0596	3.566	89	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:N-3:	C[5](C[5]C[5]HH)(C[5]C[5]N)(CC[6a]O)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]C)(NCH)	C[5](C[5]C[5]HH)(C[5]C[5]N)(CC[6a]O){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|N<3>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(NCH){4|H<1>}	110.0520	0.000	1	110.0520	0.000	1	110.2480	2.121	24	110.0596	3.566	89	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:N-3:	C[5](C[5]C[5]HH)(C[5]C[5]N)(COO)	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(NHH)	C[5](C[5]C[5]HH)(C[5]C[5]N)(COO){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2{1|C<2>,1|C<4>,1|N<3>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(NHH){1|C<3>,3|H<1>}	111.4405	0.349	2	111.4405	0.122	2	110.2480	2.121	24	110.0596	3.566	89	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:N-3:	C[5](C[5]C[5]HH)(C[5]C[5]N)(COO)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(NCH)	C[5](C[5]C[5]HH)(C[5]C[5]N)(COO){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(NCH){4|H<1>}	111.6100	0.228	2	111.6100	0.052	2	110.2480	2.121	24	110.0596	3.566	89	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:N-3:	C[5](C[5]C[5]HH)(C[5]C[5]N)(COO)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(NC[6a]H)	C[5](C[5]C[5]HH)(C[5]C[5]N)(COO){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(NC[6a]H){4|H<1>}	113.7670	0.000	1	113.7670	0.000	1	110.2480	2.121	24	110.0596	3.566	89	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:N-3:	C[5](C[5]C[5]HH)(C[5]C[5]N)(COO)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(NHH)	C[5](C[5]C[5]HH)(C[5]C[5]N)(COO){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(H)2{1|C<2>,1|C<4>,1|N<3>,2|C<3>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(NHH){1|C<3>,3|H<1>}	111.7215	0.132	4	111.7215	0.017	4	110.2480	2.121	24	110.0596	3.566	89	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:N-3:	C[5](C[5]C[5]HH)(C[5]C[5]N)(CSS)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(NCH)	C[5](C[5]C[5]HH)(C[5]C[5]N)(CSS){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(NCH){4|H<1>}	108.5680	0.727	3	108.5680	0.529	3	110.2480	2.121	24	110.0596	3.566	89	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:N-3:	C[5](C[5]C[5]HH)(C[5]C[5]N)(CSS)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(NC[6]H)	C[5](C[5]C[5]HH)(C[5]C[5]N)(CSS){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(NC[6]H){4|H<1>}	109.1800	0.000	1	109.1800	0.000	1	110.2480	2.121	24	110.0596	3.566	89	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:N-3:	C[5](C[5]C[5]HH)(C[5]C[5]N)(CSS)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(NCoC)	C[5](C[5]C[5]HH)(C[5]C[5]N)(CSS){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(NCoC){4|H<1>}	109.0850	0.000	1	109.0850	0.000	1	110.2480	2.121	24	110.0596	3.566	89	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:N-3:	C[5](C[5]C[5]HH)(C[5]C[5]N)(CSS)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(NHH)	C[5](C[5]C[5]HH)(C[5]C[5]N)(CSS){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(NHH){4|H<1>}	109.3094	0.813	5	109.3094	0.661	5	110.2480	2.121	24	110.0596	3.566	89	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:N-3:	C[5](C[5]C[5]HH)(C[5]C[5]N)(CSS)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(NNiC)	C[5](C[5]C[5]HH)(C[5]C[5]N)(CSS){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(NNiC){4|H<1>}	109.5410	0.363	3	109.5410	0.132	3	110.2480	2.121	24	110.0596	3.566	89	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:N-3:	C[5](C[5]C[5]HH)(C[5]C[5]N)(CSS)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(NPdC)	C[5](C[5]C[5]HH)(C[5]C[5]N)(CSS){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(NPdC){4|H<1>}	110.0060	0.000	1	110.0060	0.000	1	110.2480	2.121	24	110.0596	3.566	89	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:P-3:	C[5](C[5]C[5]HH)(C[5]C[5]P)(CHN)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(PC[6a]2)	C[5](C[5]C[5]HH)(C[5]C[5]P)(CHN){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|P<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(PC[6a]2){4|H<1>}	111.8870	0.000	1	111.8870	0.000	1	111.8870	0.000	1	110.0596	3.566	89	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]2)(C[5]C[5]C)	C[5](C[5]C[5]HH)(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]2)(CCC)	C[5](C[5]C[5]HH)(C[5]C[5]2)(C[5]C[5]C){1|C<3>,2|C<4>,6|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(CCC){1|C<3>,1|C<4>,4|H<1>}	106.1170	0.000	1	106.1170	0.000	1	106.1170	0.000	1	110.0596	3.566	89	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:N-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(NCH)	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]N)(CC[6a]O)	C[5](C[5]C[5]HH)(C[5]C[5]C)(NCH){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5]CH)(C[5]C[5]N)(CC[6a]O){4|H<1>}	111.1690	0.000	1	111.1690	0.000	1	110.7329	1.228	18	110.0596	3.566	89	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:N-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(NCH)	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]N)(COO)	C[5](C[5]C[5]HH)(C[5]C[5]C)(NCH){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(COO){4|H<1>}	110.9070	0.156	2	110.9070	0.024	2	110.7329	1.228	18	110.0596	3.566	89	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:N-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(NCH)	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]N)(CSS)	C[5](C[5]C[5]HH)(C[5]C[5]C)(NCH){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(CSS){4|H<1>}	111.1993	0.341	3	111.1993	0.116	3	110.7329	1.228	18	110.0596	3.566	89	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:N-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(NC[6]H)	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]N)(CSS)	C[5](C[5]C[5]HH)(C[5]C[5]C)(NC[6]H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(CSS){4|H<1>}	111.8660	0.000	1	111.8660	0.000	1	110.7329	1.228	18	110.0596	3.566	89	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:N-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(NC[6a]H)	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]N)(COO)	C[5](C[5]C[5]HH)(C[5]C[5]C)(NC[6a]H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(COO){4|H<1>}	110.5740	0.000	1	110.5740	0.000	1	110.7329	1.228	18	110.0596	3.566	89	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:N-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(NCoC)	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]N)(CSS)	C[5](C[5]C[5]HH)(C[5]C[5]C)(NCoC){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(CSS){4|H<1>}	109.4400	0.000	1	109.4400	0.000	1	110.7329	1.228	18	110.0596	3.566	89	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:N-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(NHH)	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]N)(CSS)	C[5](C[5]C[5]HH)(C[5]C[5]C)(NHH){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(CSS){4|H<1>}	111.5902	0.349	5	111.5902	0.122	5	110.7329	1.228	18	110.0596	3.566	89	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:N-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(NNiC)	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]N)(CSS)	C[5](C[5]C[5]HH)(C[5]C[5]C)(NNiC){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(CSS){4|H<1>}	108.7683	0.682	3	108.7683	0.465	3	110.7329	1.228	18	110.0596	3.566	89	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:N-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(NPdC)	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]N)(CSS)	C[5](C[5]C[5]HH)(C[5]C[5]C)(NPdC){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(CSS){4|H<1>}	110.4750	0.000	1	110.4750	0.000	1	110.7329	1.228	18	110.0596	3.566	89	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:N-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5]C[5]HH)(C[5]C[5]2)(NC[6]H)	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	C[5](C[5]C[5]2O)(C[5]C[5]N)(C[5]C[5]O)	C[5](C[5]C[5]HH)(C[5]C[5]2)(NC[6]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]2O)(C[5]C[5]N)(C[5]C[5]O){2|C<3>,2|O<1>,4|H<1>}	111.2350	0.000	1	111.2350	0.000	1	111.2350	0.000	1	110.0596	3.566	89	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:P-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(PC[6a]2)	C[5](C[5]C[5]HH)(C[5]C[5]P)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]P)(CHN)	C[5](C[5]C[5]HH)(C[5]C[5]C)(PC[6a]2){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]P)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]P)(CHN){4|H<1>}	110.5360	0.000	1	110.5360	0.000	1	110.5360	0.000	1	110.0596	3.566	89	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:4:	C[5]-4:C[5]-3:C-3:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(CHO)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(CHO){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(H)2{6|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(CH3){2|C<4>,5|H<1>}	111.6300	0.000	1	111.6300	0.000	1	111.6300	0.000	1	109.9055	1.015	30	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:4:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH)	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH){2|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HH){2|C<3>,2|H<1>}	111.3470	0.000	1	111.3470	0.000	1	111.1710	0.062	2	109.9055	1.015	30	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:4:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH)	C[5](C[5]C[5]HO)(C[5]C[5]C)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(CC[6a]HH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]HO)(C[5]C[5]C)(H)2{3|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(CC[6a]HH){1|O<2>,3|H<1>}	110.9950	0.000	1	110.9950	0.000	1	111.1710	0.062	2	109.9055	1.015	30	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:4:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:P-4:	C[5](C[5]C[5]HH)(C[5]C[5]P)(CHN)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(PPdCC)	C[5](C[5]C[5]HH)(C[5]C[5]P)(CHN){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|P<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(PPdCC){4|H<1>}	112.0170	0.000	1	112.0170	0.000	1	112.0170	0.000	1	109.9055	1.015	30	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:4:	C[5]-4:C[5]-3:N-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:P-4:	C[5](C[5]C[5]HH)(C[5]C[5]P)(NCH)	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]N)(PCCN)	C[5](C[5]C[5]HH)(C[5]C[5]P)(NCH){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{1|P<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(PCCN){4|H<1>}	111.3650	0.000	1	111.3650	0.000	1	109.6606	0.687	26	109.9055	1.015	30	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:4:	C[5]-4:C[5]-3:N-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:P-4:	C[5](C[5]C[5]HH)(C[5]C[5]P)(NC[6a]Co)	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]N)(PCCN)	C[5](C[5]C[5]HH)(C[5]C[5]P)(NC[6a]Co){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{1|P<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(PCCN){4|H<1>}	109.5325	0.114	2	109.5325	0.013	2	109.6606	0.687	26	109.9055	1.015	30	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:4:	C[5]-4:C[5]-3:N-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:P-4:	C[5](C[5]C[5]HH)(C[5]C[5]P)(NC[6a]Fe)	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]N)(PCCN)	C[5](C[5]C[5]HH)(C[5]C[5]P)(NC[6a]Fe){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{1|P<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(PCCN){4|H<1>}	109.2394	0.551	7	109.2394	0.304	7	109.6606	0.687	26	109.9055	1.015	30	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:4:	C[5]-4:C[5]-3:N-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:P-4:	C[5](C[5]C[5]HH)(C[5]C[5]P)(NC[6a]H)	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]N)(PCCN)	C[5](C[5]C[5]HH)(C[5]C[5]P)(NC[6a]H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{1|P<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(PCCN){4|H<1>}	110.9877	0.446	3	110.9877	0.199	3	109.6606	0.687	26	109.9055	1.015	30	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:4:	C[5]-4:C[5]-3:N-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:P-4:	C[5](C[5]C[5]HH)(C[5]C[5]P)(NC[6a]Ru)	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]N)(PRuCC)	C[5](C[5]C[5]HH)(C[5]C[5]P)(NC[6a]Ru){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{1|P<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(PRuCC){4|H<1>}	109.7540	0.575	8	109.7540	0.330	8	109.6606	0.687	26	109.9055	1.015	30	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:3:4:	C[5]-4:C[5]-3:N-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:P-4:	C[5](C[5]C[5]HH)(C[5]C[5]P)(NCoC)	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]N)(PCCN)	C[5](C[5]C[5]HH)(C[5]C[5]P)(NCoC){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{1|P<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(PCCN){4|H<1>}	109.0150	0.503	5	109.0150	0.253	5	109.6606	0.687	26	109.9055	1.015	30	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:4:3:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:P-4:C[5]-3:	C[5](C[5]C[5]HH)(C[5]C[5]P)(CHN)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(PC[6a]2Ni)(C[5]C[5]C)	C[5](C[5]C[5]HH)(C[5]C[5]P)(CHN){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|P<4>,2|H<1>}	C[5](C[5]C[5]HH)(PC[6a]2Ni)(C[5]C[5]C){4|H<1>}	112.0770	0.000	1	112.0770	0.000	1	111.7073	0.105	3	111.0628	0.860	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:4:3:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:P-4:C[5]-3:	C[5](C[5]C[5]HH)(C[5]C[5]P)(CHN)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(PC[6a]2Pd)(C[5]C[5]C)	C[5](C[5]C[5]HH)(C[5]C[5]P)(CHN){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|P<4>,2|H<1>}	C[5](C[5]C[5]HH)(PC[6a]2Pd)(C[5]C[5]C){4|H<1>}	111.5225	0.064	2	111.5225	0.004	2	111.7073	0.105	3	111.0628	0.860	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:1:1:	4:4:3:	C[5]-4:C[5]-3:N-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:P-4:C[5]-3:	C[5](C[5]C[5]HH)(C[5]C[5]P)(NC[6a]Ir)	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	C[5](C[5]C[5]HH)(PC[6a]2Ir)(C[5]C[5]N)	C[5](C[5]C[5]HH)(C[5]C[5]P)(NC[6a]Ir){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{1|P<4>,2|H<1>}	C[5](C[5]C[5]HH)(PC[6a]2Ir)(C[5]C[5]N){4|H<1>}	110.0960	0.342	2	110.0960	0.117	2	110.0960	0.117	2	111.0628	0.860	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:2:1:	3:2:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]HO)(C[5]O[5]O)(CCH)	C[5](C[5]O[5]HH)(C[5]C[5]C)(OC)(H)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]HO)(C[5]O[5]O)(CCH){2|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]C)(OC)(H){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|O<2>,3|H<1>}	108.1595	0.028	2	108.1595	0.001	2	107.9183	0.080	4	107.9183	0.080	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:2:1:	3:2:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]HO)(C[5]O[5]O)(CCH)	C[5](C[5]O[5]HH)(C[5]C[5]C)(OC[6a])(H)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]HO)(C[5]O[5]O)(CCH){2|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]C)(OC[6a])(H){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|O<2>,3|H<1>}	107.7350	0.000	1	107.7350	0.000	1	107.9183	0.080	4	107.9183	0.080	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:2:1:	3:2:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]HO)(C[5]O[5]O)(CCH)	C[5](C[5]O[5]HH)(C[5]C[5]C)(OH)(H)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]HO)(C[5]O[5]O)(CCH){2|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]C)(OH)(H){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|O<2>,3|H<1>}	107.6190	0.000	1	107.6190	0.000	1	107.9183	0.080	4	107.9183	0.080	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5,5]-4:C[5]-3:O-2:H-1:	N[5,5]-3:C[5]-3:O-1:	C[5](C[5]C[5,5]HO)(C[5]N[5,5]O)(CC[6a]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]C)(OH)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]C)(O)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]O)(CC[6a]H){1|H<1>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]C)(OH)(H){1|O<1>,2|C<4>,2|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]C)(O){1|O<2>,2|C<4>,4|H<1>}	107.8680	0.437	3	107.8680	0.191	3	107.8680	0.191	3	108.8418	5.236	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HO)(C[5]C[5]H)(CCH)	C[5](C[5]C[5]HO)(C[5]C[5]C)(OH)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]HO)(C[5]C[5]H)(CCH){1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]C[5]C)(OH)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(H){2|H<1>,2|O<2>}	111.1070	0.000	1	111.1070	0.000	1	111.1070	0.000	1	108.8418	5.236	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]HO)(C[5]N[5]O)(CC[6a]H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(OC)(H)	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	C[5](C[5]C[5]HO)(C[5]N[5]O)(CC[6a]H){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(OC)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|O<2>,3|H<1>}	106.2030	0.000	1	106.2030	0.000	1	106.2030	0.000	1	108.8418	5.236	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[5]-3:N-3:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HO)(C[5]C[5]H)(NCH)	C[5](C[5]C[5]CH)(C[5]C[5]N)(OH)(H)	C[5](C[5]C[5]N)(C[5]C[5]O)(H)	C[5](C[5]C[5]HO)(C[5]C[5]H)(NCH){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]C[5]N)(OH)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]N)(C[5]C[5]O)(H){1|C<4>,1|O<2>,2|H<1>}	112.1370	0.000	1	112.1370	0.000	1	112.1370	0.000	1	108.8418	5.236	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:2:1:	3:4:1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-3:C[5]-4:H-1:	C[5](C[5]C[5]O[5]H)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[5]N[5]H)(C[5]C[6a]C[5])(O[5]C[5])(H)	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(H)	C[5](C[5]C[5]O[5]H)(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[6a]C[5])(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(H){1|C<4>,1|H<1>,2|C<3>}	108.5710	0.000	1	108.5710	0.000	1	108.5710	0.000	1	108.5710	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:2:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HO)(C[5]C[5]H)(CRuO)	C[5](C[5]C[6a]2C[5])(C[5]C[5]C)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]HO)(C[5]C[5]H)(CRuO){2|C<3>,2|H<1>}	C[5](C[5]C[6a]2C[5])(C[5]C[5]C)(OC)(H){3|H<1>,4|C<3>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){1|H<1>,1|O<2>,2|C<3>}	109.5800	0.000	1	109.5800	0.000	1	109.5800	0.000	1	109.5800	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:2:1:	4:3:4:	C[5]-4:C[5]-3:C-3:	C[3x5]-4:C[5]-3:O-2:H-1:	C[3x5]-4:C[5]-3:C-4:	C[5](C[5]C[3x5]HO)(C[5]C[3x5]C)(CCC)	C[5](C[3x5]C[3x5]C[5,6]O[5])(C[5]C[5]C)(OC)(H)	C[5](C[3x5]C[5,6,6]C[3x5]O[5])(C[5]C[5]C)(CH3)	C[5](C[5]C[3x5]HO)(C[5]C[3x5]C)(CCC){2|C<4>,2|O<2>}	C[5](C[3x5]C[3x5]C[5,6]O[5])(C[5]C[5]C)(OC)(H){1|B<3>,1|O<2>,5|C<4>}	C[5](C[3x5]C[5,6,6]C[3x5]O[5])(C[5]C[5]C)(CH3){1|B<3>,1|H<1>,3|C<4>,3|O<2>}	112.4530	0.000	1	112.4530	0.000	1	112.4530	0.000	1	112.4530	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:2:2:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-2:C-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]H)(CC[6a]2)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CN)2	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(CC[6a]2){1|H<1>,2|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CN)2{1|H<1>,3|C<3>}	C[5](C[5]C[5]C)2(H){1|C<3>,1|H<1>,2|C<2>}	104.5000	0.000	1	104.5000	0.000	1	104.5000	0.000	1	104.5000	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:2:2:	3:4:3:	C[5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-2:C-2:	C[5]-3:C[5]-4:C-3:	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(CN)2	C[5](C[5]C[6a]C[5])(C[5]C[5,5]HH)(COO)	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]C[5]C){4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(CN)2{1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5,5]HH)(COO){2|C<2>,4|C<3>}	109.1780	0.000	1	109.1780	0.000	1	109.1780	0.000	1	109.1780	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:2:2:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5,5]-4:C[5]-3:C-2:C-2:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]CC)(C[5]C[5,5]H)(COO)	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[5]C)(CN)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(H)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]H)(COO){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[5]C)(CN)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(H){1|H<1>,2|C<2>,2|C<3>,2|C<4>}	110.4210	0.000	1	110.4210	0.000	1	110.4210	0.000	1	108.5430	1.403	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:2:2:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5,5]-4:C[5]-3:C-2:C-2:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5,5]CC)(C[5]C[5]O)(CC[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(CN)2	C[5](C[5]C[5,5]CH)(C[5]C[5]C)(O)	C[5](C[5]C[5,5]CC)(C[5]C[5]O)(CC[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(CN)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5]C)(O){2|C<2>,2|C<3>}	107.5370	0.000	1	107.5370	0.000	1	107.5370	0.000	1	108.5430	1.403	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:2:2:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-2:C-2:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]H)(CCP)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CN)2	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(CCP){2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CN)2{2|H<1>,3|C<3>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(H){1|C<3>,1|H<1>,2|C<2>}	107.9410	0.486	2	107.9410	0.237	2	107.9410	0.237	2	108.5430	1.403	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:2:2:	4:3:1:	C[5]-4:C[5]-3:C[6a]-3:	C[4,5,5]-4:C[5]-3:C-2:C-2:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[4,5,5]CC)(C[5]C[5,5]H)(C[6a]C[6a]2)	C[5](C[4,5,5]C[4,5]C[5,5]C[4])(C[5]C[6a]C[5])(CN)2	C[5](C[5,5]C[4,5,5]C[6a]C[5])(C[5]C[6a]C[5])(H)	C[5](C[5]C[4,5,5]CC)(C[5]C[5,5]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[5](C[4,5,5]C[4,5]C[5,5]C[4])(C[5]C[6a]C[5])(CN)2{1|C<2>,2|H<1>,6|C<3>}	C[5](C[5,5]C[4,5,5]C[6a]C[5])(C[5]C[6a]C[5])(H){1|C<4>,3|C<2>,6|C<3>}	108.8750	0.000	1	108.8750	0.000	1	108.8750	0.000	1	108.5430	1.403	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:2:2:	4:3:2:	C[5]-4:C[5]-3:N-3:	C[5,5]-4:C[5]-3:C-2:C-2:	C[5,5]-4:C[5]-3:C-2:	C[5](C[5]C[5,5]CC)(C[5]C[5,5]C)(NHH)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]N)(CN)2	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]N)(CN)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]C)(NHH){4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]N)(CN)2{1|C<2>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]N)(CN){1|N<3>,1|O<1>,2|C<2>,4|C<3>}	109.7040	0.000	1	109.7040	0.000	1	109.7040	0.000	1	109.7040	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:3:1:	2:3:1:	C[5]-4:C[5]-3:C-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	O[5]-2:C[5]-3:O-1:	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]O)(CHH)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5](O[5]C[5,5])(C[5]C[5]C)(O)	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]O)(CHH){4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[5](O[5]C[5,5])(C[5]C[5]C)(O){1|H<1>,3|C<3>}	106.2090	0.000	1	106.2090	0.000	1	106.2090	0.000	1	106.2090	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:3:1:	3:2:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(COO)(H)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]H){1|C<4>,1|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(COO)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|C<4>,2|H<1>}	108.0530	0.000	1	108.0530	0.000	1	108.0530	0.000	1	107.7945	1.304	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:3:1:	3:2:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]HN)(C[5]O[5]O)(CC[6a]H)	C[5](C[5]O[5]HO)(C[5]C[5]C)(NCC)(H)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]HN)(C[5]O[5]O)(CC[6a]H){1|H<1>,1|O<2>}	C[5](C[5]O[5]HO)(C[5]C[5]C)(NCC)(H){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|N<3>,1|O<2>,2|H<1>}	107.7955	1.944	2	107.7955	3.779	2	107.7955	3.779	2	107.7945	1.304	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:3:1:	3:2:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CHH)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CHH){1|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5]C)(O[5]C[5])(O){2|C<3>,2|H<1>}	107.5340	0.000	1	107.5340	0.000	1	107.5340	0.000	1	107.7945	1.304	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:3:1:	3:2:3:	C[5]-4:C[5]-3:C-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:O[5]-2:C[5]-3:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]O[5])(CC[6a]O)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(O[5]C[5,5])(C[5]C[5]C)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]O[5])(CC[6a]O){6|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(O[5]C[5,5])(C[5]C[5]C){3|H<1>,5|C<3>}	107.8800	0.000	1	107.8800	0.000	1	107.8800	0.000	1	107.8800	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:3:1:	3:2:4:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-3:O[5]-2:C-4:	C[5](C[5]C[5]CH)(C[5]O[5]C)(COO)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(CN[5]O)(H)	C[5](C[5]C[5]C)(O[5]C[5])(CH3)	C[5](C[5]C[5]CH)(C[5]O[5]C)(COO){1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(CN[5]O)(H){1|C<4>,2|C<3>}	C[5](C[5]C[5]C)(O[5]C[5])(CH3){2|C<3>,2|H<1>}	109.2460	0.000	1	109.2460	0.000	1	109.2460	0.000	1	109.2460	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	N[5,5]-3:C[5]-3:O-1:	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(CHH)	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]C)(O)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(CHH){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|O<1>,4|C<3>,4|H<1>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]C)(O){1|C<4>,2|H<1>,3|C<3>}	108.1380	0.000	1	108.1380	0.000	1	108.1380	0.000	1	108.1137	1.012	25	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	N[5,6]-3:C[5]-3:H-1:	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]H)(CCO)	C[5](C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]C)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]H)(CCO){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|O<2>,1|S<2>,3|H<1>,4|C<3>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]C)(H){1|C<4>,2|H<1>,3|C<3>}	109.1970	0.000	1	109.1970	0.000	1	109.1970	0.000	1	108.1137	1.012	25	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCH)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCH)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCH){1|C<2>,2|C<3>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCH)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){1|C<2>,1|H<1>,4|C<3>}	108.6307	0.140	3	108.5968	0.885	12	108.4314	0.930	14	108.1137	1.012	25	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCH)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCH)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCH){1|C<3>,2|C<2>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCH)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){1|H<1>,2|C<2>,3|C<3>}	108.5856	1.101	9	108.5968	0.885	12	108.4314	0.930	14	108.1137	1.012	25	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCH)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCO)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCH){1|H<1>,2|C<3>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCO)(H){2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|H<1>,3|C<3>}	107.4385	0.234	2	107.4385	0.055	2	108.4314	0.930	14	108.1137	1.012	25	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(CNO)(H)	C[5](C[5]C[5]C)(N[5]C[5]H)(O)	C[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]H){1|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(CNO)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5]C)(N[5]C[5]H)(O){2|C<3>,2|H<1>}	107.8970	0.000	1	107.8970	0.000	1	108.5670	0.343	3	108.1137	1.012	25	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]CH)(C[5]N[5]O)(CClC)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH)(H)	C[5](C[5]C[5]C)(N[5]C[5]S)(O)	C[5](C[5]C[5]CH)(C[5]N[5]O)(CClC){1|S<4>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH)(H){1|O<1>,1|S<4>}	C[5](C[5]C[5]C)(N[5]C[5]S)(O){1|C<3>,3|H<1>}	108.9020	0.109	2	108.9020	0.012	2	108.5670	0.343	3	108.1137	1.012	25	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:O-1:	C[5](C[5]C[5]2H)(C[5]C[5]O)(CCC)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(O)	C[5](C[5]C[5]2H)(C[5]C[5]O)(CCC){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)2(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(O){1|H<1>,2|C<4>}	107.0807	0.057	4	107.0640	0.004	5	107.0640	0.004	5	108.1137	1.012	25	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:O-1:	C[5](C[5]C[5]2H)(C[5]C[5]O)(CCC)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(O)	C[5](C[5]C[5]2H)(C[5]C[5]O)(CCC){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)2(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(O){1|H<1>,2|C<4>}	106.9970	0.000	1	107.0640	0.004	5	107.0640	0.004	5	108.1137	1.012	25	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HN)(C[5]C[5]H)(CCC)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]C)(NCN)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]HN)(C[5]C[5]H)(CCC){1|C<3>,2|H<1>}	C[5](C[5]C[5a]C[5]H)(C[5]C[5]C)(NCN)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|C<3>,1|N<3>,2|H<1>}	106.4480	0.000	1	106.4480	0.000	1	106.4480	0.000	1	108.1137	1.012	25	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:3:1:	3:3:3:	C[5]-4:C[5]-3:C-3:	C[5,6]-4:C[5]-3:C-3:H-1:	N[5,6]-3:C[5]-3:C-3:	C[5](C[5]C[5,6]CH)(C[5]N[5,6]C)(COO)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]C)(COO)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(CN[6]O)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]C)(COO){1|H<1>,2|C<3>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]C)(COO)(H){4|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(CN[6]O){3|C<3>,3|H<1>}	109.5820	0.000	1	109.5820	0.000	1	109.5820	0.000	1	110.7555	2.754	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5,5]O)(CC[6a]O)	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,4|H<1>,7|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5,5]O)(CC[6a]O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	111.9290	0.000	1	111.9290	0.000	1	111.9290	0.000	1	110.7555	2.754	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:3:1:	3:4:2:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-3:C-4:N[5]-2:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]C)(CCO)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(CC[6a]CH)(N[5]C[5])	C[5](C[5]C[6a]C[5]H)(C[5]N[5]C)(CCO){1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5]C)(CC[6a]CH)(N[5]C[5]){2|C<3>,2|H<1>}	107.7810	0.000	1	107.7810	0.000	1	107.7810	0.000	1	107.7810	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:3:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5,5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]CH)(C[5]C[5]H)(COO)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(CC[6a]O)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5]H)(COO){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(CC[6a]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5]C)(H){1|H<1>,3|C<3>}	111.9820	0.298	2	111.9820	0.089	2	112.0843	0.076	3	112.1054	1.724	34	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:3:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5,5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]CH)(C[5]C[5]H)(COO)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(COO)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5]H)(COO){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(COO)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5]C)(H){1|H<1>,3|C<3>}	112.2890	0.000	1	112.2890	0.000	1	112.0843	0.076	3	112.1054	1.724	34	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:3:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]H)(CCO)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]H)(CCO){2|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	112.7220	0.000	1	112.7220	0.000	1	113.0192	1.275	5	112.1054	1.724	34	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:3:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]H)(COO)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]H)(COO){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){4|C<3>,6|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	112.9700	0.000	1	112.5480	0.356	2	113.0192	1.275	5	112.1054	1.724	34	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:3:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]H)(COO)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]H)(COO){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,3|C<3>,6|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	112.1260	0.000	1	112.5480	0.356	2	113.0192	1.275	5	112.1054	1.724	34	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:3:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]H)(COO)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]C)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]H)(COO){6|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]C)(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	112.3270	0.000	1	112.3270	0.000	1	113.0192	1.275	5	112.1054	1.724	34	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:3:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]H)(COO)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5](C[5,5]C[5,5]O[5]N)(C[5]C[5]C)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]H)(COO){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]O[5]N)(C[5]C[5]C)(H){2|H<1>,3|C<3>}	114.9510	0.000	1	114.9510	0.000	1	113.0192	1.275	5	112.1054	1.724	34	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:3:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:O-1:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(CC[5]O)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]C)(O)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(CC[5]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,1|I<1>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]C)(O){2|C<3>,2|C<4>,2|H<1>}	112.6730	0.000	1	112.6730	0.000	1	110.9615	5.858	2	112.1054	1.724	34	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:3:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:O-1:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(CC[6a]N)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(O)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(CC[6a]N){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(O){1|C<4>,3|C<3>,3|H<1>}	109.2500	0.000	1	109.2500	0.000	1	110.9615	5.858	2	112.1054	1.724	34	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:3:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(COO)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5](C[5]C[5,5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(COO){1|C<2>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<2>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5]C[5,5]CC)(C[5]C[5]C)(H){1|H<1>,3|C<3>}	112.7850	0.000	1	112.8210	0.003	2	112.5748	0.809	9	112.1054	1.724	34	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:3:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(COO)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5](C[5]C[5,5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(COO){2|C<2>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|N<3>,1|O<1>,2|C<2>,3|H<1>,4|C<3>}	C[5](C[5]C[5,5]CC)(C[5]C[5]C)(H){1|H<1>,3|C<3>}	112.8570	0.000	1	112.8210	0.003	2	112.5748	0.809	9	112.1054	1.724	34	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:3:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(COO)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(COO){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,1|F<1>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[5,5]CH)(C[5]C[5]C)(H){1|H<1>,3|C<3>}	111.6205	1.604	2	111.6205	2.574	2	112.5748	0.809	9	112.1054	1.724	34	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:3:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(COO)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]C)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(COO){1|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]C)(H){1|H<1>,5|C<3>}	113.7510	0.000	1	113.7510	0.000	1	112.5748	0.809	9	112.1054	1.724	34	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:3:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(COO)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(COO){2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|F<1>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]C)(H){1|H<1>,3|C<3>}	112.7280	0.000	1	112.7280	0.000	1	112.5748	0.809	9	112.1054	1.724	34	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:3:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(COO)	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(COO){1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|O<1>,4|C<3>,5|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]C)(H){1|H<1>,1|O<2>,2|C<3>}	112.3150	0.216	2	112.3150	0.047	2	112.5748	0.809	9	112.1054	1.724	34	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:3:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(COO)	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(COO){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5]C)(H){1|H<1>,1|S<2>,2|C<3>}	113.1810	0.000	1	113.1810	0.000	1	112.5748	0.809	9	112.1054	1.724	34	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:3:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5,6]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]CH)(C[5]C[5]H)(COO)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]C)(CCO)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5]H)(COO){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]C)(CCO)(H){1|O<1>,3|H<1>,4|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5]C)(H){1|C<4>,1|H<1>,2|C<3>}	111.8740	0.000	1	111.8740	0.000	1	111.8740	0.000	1	112.1054	1.724	34	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:3:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5]H)(CC[6a]O)	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5]H)(CC[6a]O){2|H<1>,4|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]C[5]C)(H){2|C<3>,2|N<3>,2|O<1>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]C)(H){1|H<1>,3|C<3>}	112.9850	0.000	1	112.9850	0.000	1	112.9850	0.000	1	112.1054	1.724	34	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:3:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]H)(CC[6a]O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CC[6a]O)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CC[6a]O){1|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CC[6a]O)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){2|C<3>,2|H<1>}	111.6045	0.490	4	111.6045	0.240	4	112.1279	0.908	7	112.1054	1.724	34	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:3:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]H)(COO)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[5a]O)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(COO){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[5a]O)(H){3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,2|H<1>}	113.1440	0.000	1	113.1440	0.000	1	112.1279	0.908	7	112.1054	1.724	34	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:3:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]H)(COO)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CC[6a]O)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(COO){1|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CC[6a]O)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){2|C<3>,2|H<1>}	112.6665	1.421	2	112.6665	2.018	2	112.1279	0.908	7	112.1054	1.724	34	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:3:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5,5]H)(COO)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5,5]H)(COO){1|H<1>,5|C<3>}	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]C[5]C)(H){3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	112.9170	0.000	1	112.9170	0.000	1	112.9170	0.000	1	112.1054	1.724	34	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:3:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(COO)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(COO){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){4|C<3>,5|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){2|C<3>,2|H<1>}	111.4350	0.000	1	111.4350	0.000	1	111.4350	0.000	1	112.1054	1.724	34	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:3:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCO)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCO){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){2|C<3>,2|H<1>}	108.7240	0.000	2	108.7240	0.000	2	108.7240	0.000	2	112.1054	1.724	34	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:3:1:	4:3:1:	C[5]-4:C[5]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]H)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[6a]C[5])(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]H)(C[6a]C[6a]2){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|S<4>,4|C<3>,6|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[6a]C[5])(H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	111.7920	0.259	2	111.7920	0.067	2	111.7920	0.067	2	112.1054	1.724	34	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:3:1:	4:3:3:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:N-3:	C[5](C[5]C[5]CH)(C[5]C[5]N)(CC[6a]O)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CNO)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(NCH)	C[5](C[5]C[5]CH)(C[5]C[5]N)(CC[6a]O){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CNO)(H){1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(NCH){1|C<3>,3|H<1>}	110.9390	0.000	1	110.9390	0.000	1	110.9390	0.000	1	113.1294	4.164	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:3:1:	4:3:3:	C[5]-4:C[5]-3:C[6a]-3:	B[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5,6]-4:C[5]-3:C[6a]-3:	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)	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](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>}	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>}	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>}	114.5553	0.836	3	114.5553	0.700	3	114.5553	0.700	3	113.1294	4.164	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:3:1:	4:3:3:	C[5]-4:C[5]-3:N-3:	C[5]-4:N[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]C)(NC[6a]H)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,5]C[6a])(C[5]C[5]N)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]N)(COO)	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]C)(NC[6a]H){1|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,5]C[6a])(C[5]C[5]N)(H){1|N<3>,1|O<1>,7|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]N)(COO){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	111.0420	0.000	1	111.0420	0.000	1	111.0420	0.000	1	113.1294	4.164	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:3:1:	4:3:4:	C[5]-4:C[5]-3:C-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]C)(CHO)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]C)(CHO){2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]C)(CH3){1|H<1>,3|C<3>}	112.7840	0.000	1	112.7840	0.000	1	113.2787	0.516	3	113.2787	0.516	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:3:1:	4:3:4:	C[5]-4:C[5]-3:C-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]C)(COO)	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]C)(COO){2|H<1>,4|C<3>}	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]C)(CH3){1|H<1>,3|C<3>}	113.5260	0.816	2	113.5260	0.666	2	113.2787	0.516	3	113.2787	0.516	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:3:2:	3:2:4:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-3:O-2:	C[5]-3:O[5]-2:C-4:	C[5](C[5]C[5]CO)(C[5]O[5]C)(CCO)	C[5](C[5]O[5]CO)(C[5]C[5]C)(CCO)(OH)	C[5](C[5]C[5]C)(O[5]C[5])(CH3)	C[5](C[5]C[5]CO)(C[5]O[5]C)(CCO){1|C<4>,1|O<2>}	C[5](C[5]O[5]CO)(C[5]C[5]C)(CCO)(OH){1|C<4>}	C[5](C[5]C[5]C)(O[5]C[5])(CH3){1|C<3>,1|C<4>,2|O<2>}	108.4670	0.000	1	108.4670	0.000	1	108.4670	0.000	1	108.4670	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:3:2:	3:3:3:	C[5]-4:C[5]-3:C-3:	C[5,6]-4:C[6a]-3:C[5]-3:O-2:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6]C[6a]O)(C[5]C[6a]C[5])(CC[6a]H)	C[5](C[5,6]C[5]S[6]2)(C[6a]C[6a]2)(C[5]C[5]C)(OH)	C[5](C[5]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[5,6]C[6a]O)(C[5]C[6a]C[5])(CC[6a]H){1|H<1>,2|S<2>,4|C<3>}	C[5](C[5,6]C[5]S[6]2)(C[6a]C[6a]2)(C[5]C[5]C)(OH){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]C){1|O<2>,2|H<1>,2|S<2>,3|C<3>}	106.9100	0.000	1	106.9100	0.000	1	106.9100	0.000	1	108.0650	11.508	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:3:2:	3:3:3:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-3:C-2:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CNO)(CN)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(COO)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCH){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CNO)(CN){2|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(COO){1|C<2>,2|H<1>,3|C<3>}	105.4010	0.000	1	105.4010	0.000	1	105.4010	0.000	1	108.0650	11.508	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:3:2:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:C[5]-3:C[6a]-3:O-2:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)(OH)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,1|O<2>,2|H<1>,7|C<3>}	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)(OH){1|O<1>,2|H<1>,7|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O){2|H<1>,2|O<2>,6|C<3>}	111.8840	0.000	1	111.8840	0.000	1	111.8840	0.000	1	108.0650	11.508	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:3:2:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-3:C-2:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]H)(CC[6a]O)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6]O)(CN)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(CC[6a]O){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6]O)(CN){3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){1|C<2>,1|C<3>,2|H<1>}	111.3540	0.000	1	111.3540	0.000	1	111.3540	0.000	1	111.3540	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:3:3:	3:2:4:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:N-3:C-3:	C[5]-3:O[5]-2:C-4:	C[5](C[5]C[5]CN)(C[5]O[5]C)(CCO)	C[5](C[5]O[5]CO)(C[5]C[5]C)(NN[5a]H)(CCO)	C[5](C[5]C[5]C)(O[5]C[5])(CH3)	C[5](C[5]C[5]CN)(C[5]O[5]C)(CCO){1|C<4>,1|O<2>}	C[5](C[5]O[5]CO)(C[5]C[5]C)(NN[5a]H)(CCO){1|C<4>}	C[5](C[5]C[5]C)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	108.1870	0.000	1	108.1870	0.000	1	108.1870	0.000	1	108.1870	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:3:3:	3:3:3:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[6a]-3:C[5]-3:C-3:	C[5]-3:N[5]-3:C-3:	C[5](C[5]C[6a]C[5]C)(C[5]N[5]C)(COO)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(CCH)	C[5](C[5]C[5]C)(N[5]C[5]C)(COO)	C[5](C[5]C[6a]C[5]C)(C[5]N[5]C)(COO){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(CCH){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[5]C)(N[5]C[5]C)(COO){1|H<1>,3|C<3>}	109.4780	0.000	1	109.4780	0.000	1	109.4780	0.000	1	111.6070	7.498	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:3:3:	3:3:3:	C[5]-4:C[5]-3:C-3:	C[6]-4:C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5]C[6])(C[5]C[6a]C[5])(COO)	C[5](C[6]C[6]2Pd)(C[6a]C[6a]2)(C[5]C[5]C)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)2	C[5](C[5]C[6a]C[5]C[6])(C[5]C[6a]C[5])(COO){1|Pd<5>,2|C<4>,6|C<3>}	C[5](C[6]C[6]2Pd)(C[6a]C[6a]2)(C[5]C[5]C)2{4|H<1>,6|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)2{2|C<4>,2|H<1>,3|C<3>}	110.6470	0.000	1	110.6470	0.000	1	110.6470	0.000	1	111.6070	7.498	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:3:3:	3:3:3:	C[5]-4:C[5]-3:C-3:	P[5]-4:C[6a]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[6a]P[5]C)(C[5]C[5]C)(COO)	C[5](P[5]C[6a]2C[5])(C[6a]C[6a]2)(C[5]C[5]C)(COO)	C[5](C[5]C[5]C)(C[5]P[5]C)(COO)	C[5](C[5]C[6a]P[5]C)(C[5]C[5]C)(COO){5|C<3>}	C[5](P[5]C[6a]2C[5])(C[6a]C[6a]2)(C[5]C[5]C)(COO){2|H<1>,8|C<3>}	C[5](C[5]C[5]C)(C[5]P[5]C)(COO){4|C<3>}	114.6960	0.000	1	114.6960	0.000	1	114.6960	0.000	1	111.6070	7.498	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:3:3:	4:3:2:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-3:C-3:	C[5]-4:C[5]-3:N-2:	C[5](C[5]C[5]CC)(C[5]C[5]N)(CC[6a]2)	C[5](C[5]C[5]HH)(C[5]C[5]C)(COO)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(NO)	C[5](C[5]C[5]CC)(C[5]C[5]N)(CC[6a]2){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(COO)2{1|N<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(NO){2|C<3>,2|H<1>}	104.3400	0.000	1	104.3400	0.000	1	104.3400	0.000	1	107.9767	5.895	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:3:3:	4:3:2:	C[5]-4:C[5]-3:N-3:	C[5]-4:C[5]-3:C-3:C-3:	C[5]-4:C[5]-3:C-2:	C[5](C[5]C[5]CC)(C[5]C[5]C)(NHH)	C[5](C[5]C[5]HH)(C[5]C[5]N)(COO)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N)(CN)	C[5](C[5]C[5]CC)(C[5]C[5]C)(NHH){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(COO)2{1|C<2>,1|C<3>,1|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N)(CN){2|H<1>,4|C<3>}	109.1890	0.157	3	109.1890	0.025	3	109.1890	0.025	3	107.9767	5.895	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:3:3:	4:3:3:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]2C[5])(C[5]C[6a]C[5])(COO)	C[5](C[5]C[5]PdC)(C[6a]C[6a]2)2(C[5]C[5]C)	C[5](C[5]C[5]PdC)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]2C[5])(C[5]C[6a]C[5])(COO){1|Pd<5>,1|C<4>,7|C<3>}	C[5](C[5]C[5]PdC)(C[6a]C[6a]2)2(C[5]C[5]C){4|H<1>,6|C<3>}	C[5](C[5]C[5]PdC)(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,2|H<1>,4|C<3>}	112.6460	0.000	1	112.6460	0.000	1	112.6460	0.000	1	112.6460	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:4:1:	3:2:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)	C[5](C[5]O[5]HH)(C[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCO){2|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]C)(CCHH)(H){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<4>,3|H<1>}	109.1310	0.000	1	109.1310	0.000	1	107.5233	0.896	64	107.5233	0.896	64	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:4:1:	3:2:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]H)	C[5](C[5]C[3]O[5]H)(C[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]H){1|C<4>,1|H<1>}	C[5](C[5]C[3]O[5]H)(C[5]C[5]C)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]C)(O[5]C[5])(O){2|C<4>,2|H<1>}	108.6680	0.235	3	108.6680	0.055	3	107.5233	0.896	64	107.5233	0.896	64	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:4:1:	3:2:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]H){1|C<4>,1|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){2|C<4>,2|H<1>}	107.4950	0.000	1	107.4950	0.000	1	107.5233	0.896	64	107.5233	0.896	64	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:4:1:	3:2:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]H)	C[5](C[5]O[5]HO)(C[5]C[5]C)(CCSS)(H)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]H){1|H<1>,1|O<2>}	C[5](C[5]O[5]HO)(C[5]C[5]C)(CCSS)(H){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<4>,1|O<2>,2|H<1>}	108.4655	0.117	2	108.4655	0.014	2	107.5233	0.896	64	107.5233	0.896	64	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:4:1:	3:2:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH)	C[5](C[5]C[3]O[5]H)(C[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH){1|C<4>,1|H<1>}	C[5](C[5]C[3]O[5]H)(C[5]C[5]C)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]C)(O[5]C[5])(O){2|C<4>,2|H<1>}	107.3647	0.554	7	107.4866	0.382	8	107.5233	0.896	64	107.5233	0.896	64	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:4:1:	3:2:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH)	C[5](C[5]C[3]O[5]H)(C[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH){1|C<4>,1|H<1>}	C[5](C[5]C[3]O[5]H)(C[5]C[5]C)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5]C)(O[5]C[5])(O){2|C<4>,2|H<1>}	108.3400	0.000	1	107.4866	0.382	8	107.5233	0.896	64	107.5233	0.896	64	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:4:1:	3:2:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH)	C[5](C[5]C[5,5]O[5]H)(C[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH){1|C<4>,1|H<1>}	C[5](C[5]C[5,5]O[5]H)(C[5]C[5]C)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5]C)(O[5]C[5])(O){2|C<4>,2|H<1>}	106.8430	0.000	1	106.8430	0.000	1	107.5233	0.896	64	107.5233	0.896	64	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:4:1:	3:2:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH){1|C<3>,1|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H){1|O<1>,2|C<3>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|C<4>,2|H<1>}	107.1970	0.000	1	107.0507	1.067	15	107.5233	0.896	64	107.5233	0.896	64	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:4:1:	3:2:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH){1|C<4>,1|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){2|C<4>,2|H<1>}	106.2650	0.811	3	107.0507	1.067	15	107.5233	0.896	64	107.5233	0.896	64	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:4:1:	3:2:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH){1|C<4>,1|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5]C)(O[5]C[5])(O){2|C<4>,2|H<1>}	106.2573	0.827	3	107.0507	1.067	15	107.5233	0.896	64	107.5233	0.896	64	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:4:1:	3:2:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH){1|C<4>,1|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5]C)(O[5]C[5])(O){2|C<4>,2|H<1>}	107.6245	0.915	8	107.0507	1.067	15	107.5233	0.896	64	107.5233	0.896	64	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:4:1:	3:2:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHO)(H)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH){1|C<4>,1|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){2|C<4>,2|H<1>}	103.9860	0.000	1	105.9215	7.492	2	107.5233	0.896	64	107.5233	0.896	64	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:4:1:	3:2:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHO)(H)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH){1|C<4>,1|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHO)(H){1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5]C)(O[5]C[5])(O){2|C<4>,2|H<1>}	107.8570	0.000	1	105.9215	7.492	2	107.5233	0.896	64	107.5233	0.896	64	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:4:1:	3:2:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH)	C[5](C[5]C[6]O[5]H)(C[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH){1|C<4>,1|H<1>}	C[5](C[5]C[6]O[5]H)(C[5]C[5]C)(CCHH)(H){1|O<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]C)(O[5]C[5])(O){2|C<4>,2|H<1>}	107.0570	0.000	1	107.0570	0.000	1	107.5233	0.896	64	107.5233	0.896	64	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:4:1:	3:2:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH){1|C<4>,1|H<1>}	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHH)(H){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){2|C<4>,2|H<1>}	107.7274	0.733	5	107.7274	0.538	5	107.5233	0.896	64	107.5233	0.896	64	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:4:1:	3:2:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHO)(H)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH){1|C<3>,1|H<1>}	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHO)(H){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|C<4>,2|H<1>}	107.8840	0.600	3	107.9830	0.228	7	107.5233	0.896	64	107.5233	0.896	64	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:4:1:	3:2:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHO)(H)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH){1|C<4>,1|H<1>}	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHO)(H){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){2|C<4>,2|H<1>}	108.0572	0.447	4	107.9830	0.228	7	107.5233	0.896	64	107.5233	0.896	64	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:4:1:	3:2:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[3]HO)(H)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH){1|C<3>,1|H<1>}	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[3]HO)(H){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|C<4>,2|H<1>}	106.5065	0.293	2	106.5065	0.086	2	107.5233	0.896	64	107.5233	0.896	64	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:4:1:	3:2:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[5]HH)(H)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH){1|C<4>,1|H<1>}	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[5]HH)(H){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){2|C<4>,2|H<1>}	107.6711	0.596	7	107.6711	0.355	7	107.5233	0.896	64	107.5233	0.896	64	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:4:1:	3:2:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[5]HO)(H)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH){1|C<4>,1|H<1>}	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[5]HO)(H){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){2|C<4>,2|H<1>}	108.1394	0.445	5	108.1394	0.198	5	107.5233	0.896	64	107.5233	0.896	64	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:4:1:	3:2:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH)	C[5](C[5]O[5]HH)(C[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH){2|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]C)(CCHH)(H){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<4>,3|H<1>}	107.1523	0.541	4	107.1523	0.293	4	107.5233	0.896	64	107.5233	0.896	64	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:4:1:	3:2:3:	C[5]-4:C[5]-3:N-3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:S[5]-2:N-3:	C[5](C[5]C[5]CH)(C[5]S[5]N)(NOO)	C[5](C[5]C[6a]S[5]C)(C[5]C[5]N)(CCHO)(H)	C[5](C[5]C[5]N)(S[5]C[5])(NCC)	C[5](C[5]C[5]CH)(C[5]S[5]N)(NOO){2|C<3>}	C[5](C[5]C[6a]S[5]C)(C[5]C[5]N)(CCHO)(H){1|N<3>,2|C<3>}	C[5](C[5]C[5]N)(S[5]C[5])(NCC){1|C<4>,1|H<1>,2|C<3>}	115.9960	0.392	2	115.9960	0.153	2	115.9960	0.153	2	115.9960	0.153	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:4:1:	3:2:4:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:O[5]-2:C-4:	C[5](C[5]C[5]CH)(C[5]O[5]C)(COO)	C[5](C[5]C[6a]2O[5])(C[5]C[5]C)(CHHO)(H)	C[5](C[5]C[5]C)(O[5]C[5])(CCCH)	C[5](C[5]C[5]CH)(C[5]O[5]C)(COO){2|C<3>}	C[5](C[5]C[6a]2O[5])(C[5]C[5]C)(CHHO)(H){1|C<4>,4|C<3>}	C[5](C[5]C[5]C)(O[5]C[5])(CCCH){1|C<4>,1|H<1>,2|C<3>}	108.8520	0.000	1	108.8520	0.000	1	108.8520	0.000	1	108.8520	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5,6]-4:C[5]-3:C-4:H-1:	N[5,6]-3:C[5]-3:O-1:	C[5](C[5]C[5,6]CH)(C[5]N[5,6]O)(CCH)	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]C)(CCHH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(O)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]O)(CCH){1|C<3>,2|C<4>}	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]C)(CCHH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(O){1|C<3>,3|C<4>,3|H<1>}	107.5590	0.000	1	107.5590	0.000	1	107.5590	0.000	1	108.0965	1.567	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:C[5]-3:O-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)(H)	C[5](C[5]C[5]C)2(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]C)2(O){1|C<4>,3|H<1>}	107.5970	0.000	1	107.5970	0.000	1	107.5970	0.000	1	108.0965	1.567	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]H)(CCO)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)	C[5](C[5]C[5]CH)(C[5]N[5]H)(CCO){1|S<4>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(H){1|H<1>,1|S<4>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H){1|C<4>,3|H<1>}	109.9610	0.000	1	109.9610	0.000	1	109.9610	0.000	1	108.0965	1.567	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]CH)(C[5]N[5]O)(CHH)	C[5](C[5]N[5]CC)(C[5]C[5]C)(CH3)(H)	C[5](C[5]C[5]C)(N[5]C[5]H)(O)	C[5](C[5]C[5]CH)(C[5]N[5]O)(CHH){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]N[5]CC)(C[5]C[5]C)(CH3)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(N[5]C[5]H)(O){1|C<3>,1|H<1>,2|C<4>}	107.2690	0.000	1	107.2690	0.000	1	107.2690	0.000	1	108.0965	1.567	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:4:1:	3:3:4:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[3]O)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[3]O){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3){1|C<4>,3|H<1>}	113.2490	0.000	1	113.2490	0.000	1	113.7945	0.595	2	113.7945	0.595	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:4:1:	3:3:4:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[6a]O)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]C)(CH3)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[6a]O){1|C<3>,1|O<1>,1|O<2>}	C[5](C[5]C[6a]C[5]O)(C[5]C[5]C)(CH3)(H){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	114.3400	0.000	1	114.3400	0.000	1	113.7945	0.595	2	113.7945	0.595	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:4:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[3,5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[3,5]CH)(C[5]C[5]O)(CCN)	C[5](C[3,5]C[3]2C[5])(C[5]C[5]C)(CC3)(H)	C[5](C[5]C[3,5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[3,5]CH)(C[5]C[5]O)(CCN){2|C<4>,2|H<1>}	C[5](C[3,5]C[3]2C[5])(C[5]C[5]C)(CC3)(H){2|Cl<1>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[3,5]HH)(C[5]C[5]C)(O){1|H<1>,3|C<4>}	110.2210	0.000	1	110.2210	0.000	1	110.2210	0.000	1	110.6067	2.835	9	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:4:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[5,5,6]-4:C[5]-3:O-1:	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]O)(CC[6a]H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(CH3)(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(O)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]O)(CC[6a]H){2|C<4>,2|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(CH3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(O){1|C<3>,3|C<4>,3|H<1>}	109.3290	0.000	1	109.3290	0.000	1	109.3290	0.000	1	110.6067	2.835	9	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:4:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(CCO)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(CCHH)(H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]C)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(CCO){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5]C)(H){1|C<3>,3|C<4>,3|H<1>}	111.7930	0.000	1	111.7930	0.000	1	111.7930	0.000	1	110.6067	2.835	9	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:4:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]H)(CC[6a]O)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CC[6a]O){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(H){3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){1|C<4>,3|H<1>}	112.0390	0.000	1	112.0390	0.000	1	111.9455	0.077	4	110.6067	2.835	9	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:4:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]H)(CNO)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]HH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CNO){2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]HH)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(H){1|C<4>,3|H<1>}	111.5400	0.000	1	111.5400	0.000	1	111.9455	0.077	4	110.6067	2.835	9	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:4:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]H)(COO)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CF3)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(COO){2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(CF3)(H){1|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(H){1|C<4>,2|H<1>,3|C<3>}	112.1015	0.103	2	112.1015	0.011	2	111.9455	0.077	4	110.6067	2.835	9	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:4:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCC)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCC){2|C<4>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|H<1>,3|C<4>}	108.1675	0.436	2	108.1675	0.190	2	108.1675	0.190	2	110.6067	2.835	9	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:4:1:	4:3:3:	C[5]-4:C[5]-3:N-3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]CH)(C[5]C[5]C)(NCH)	C[5](C[5]C[5]HH)(C[5]C[5]N)(CCCO)(H)	C[5](C[5]C[5]HH)(C[5]C[5]N)(CC[6a]O)	C[5](C[5]C[5]CH)(C[5]C[5]C)(NCH){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(CCCO)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(CC[6a]O){1|C<4>,3|H<1>}	112.0080	0.000	1	112.0080	0.000	1	112.0080	0.000	1	112.0080	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:4:1:	4:3:4:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CHO)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CHO){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3){1|C<4>,3|H<1>}	112.2950	0.000	1	112.2950	0.000	1	112.2950	0.000	1	112.2950	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:4:2:	3:2:3:	C[5]-4:C[5]-3:N-3:	C[5]-4:C[5]-3:C-4:C-2:	C[5]-3:O[5]-2:C-3:	C[5](C[5]C[5]CC)(C[5]O[5]C)(NHH)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]N)(CCCH)(CN)	C[5](C[5]C[5]N)(O[5]C[5])(COO)	C[5](C[5]C[5]CC)(C[5]O[5]C)(NHH){1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]N)(CCCH)(CN){3|C<3>}	C[5](C[5]C[5]N)(O[5]C[5])(COO){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	108.8230	0.000	1	108.8230	0.000	1	108.8230	0.000	1	108.8230	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:4:2:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]CO)(C[5]N[5]O)(CHH)	C[5](C[5]N[5]CC)(C[5]C[5]C)(CH3)(OH)	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	C[5](C[5]C[5]CO)(C[5]N[5]O)(CHH){1|C<3>,2|C<4>}	C[5](C[5]N[5]CC)(C[5]C[5]C)(CH3)(OH){1|C<4>,1|O<1>}	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|C<3>,1|O<2>,2|C<4>}	107.0930	0.000	1	107.0930	0.000	1	107.0930	0.000	1	107.0930	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:4:2:	3:3:4:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-3:N[5]-3:C-4:	C[5](C[5]C[5]CO)(C[5]N[5]C)(CC[6a]2)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(CC[6a]HH)(OH)	C[5](C[5]C[5]C)(N[5]C[5]O)(CCHH)	C[5](C[5]C[5]CO)(C[5]N[5]C)(CC[6a]2){1|C<3>,1|H<1>,1|O<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(CC[6a]HH)(OH){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5]C[5]C)(N[5]C[5]O)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	107.5910	0.000	1	107.5910	0.000	1	107.5910	0.000	1	107.5910	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:4:2:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CO)(C[5]C[5]H)(CCN)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(OH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]CO)(C[5]C[5]H)(CCN){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(OH){3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){1|C<3>,1|O<2>,2|C<4>}	110.5180	0.000	1	110.5180	0.000	1	110.9095	0.307	2	110.9095	0.307	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:4:2:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CO)(C[5]C[5]H)(CCO)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(OH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]CO)(C[5]C[5]H)(CCO){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(OH){3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){1|C<4>,1|O<2>,2|H<1>}	111.3010	0.000	1	111.3010	0.000	1	110.9095	0.307	2	110.9095	0.307	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:4:2:	4:3:3:	C[5]-4:C[5]-3:N-3:	C[5]-4:C[5]-3:C-4:C-2:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]CC)(C[5]C[5]C)(NHH)	C[5](C[5]C[5]CH)(C[5]C[5]N)(CH3)(CN)	C[5](C[5]C[5]HH)(C[5]C[5]N)(COO)	C[5](C[5]C[5]CC)(C[5]C[5]C)(NHH){1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]N)(CH3)(CN){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(COO){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	109.9205	0.849	2	109.9205	0.721	2	110.0658	0.411	6	110.0658	0.411	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:4:2:	4:3:3:	C[5]-4:C[5]-3:N-3:	C[5]-4:C[5]-3:C-4:C-2:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]CC)(C[5]C[5]C)(NHH)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N)(CCHH)(CN)	C[5](C[5]C[5]HH)(C[5]C[5]N)(COO)	C[5](C[5]C[5]CC)(C[5]C[5]C)(NHH){1|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N)(CCHH)(CN){2|H<1>,3|C<3>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(COO){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	110.2190	0.395	2	110.2190	0.156	2	110.0658	0.411	6	110.0658	0.411	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:4:2:	4:3:3:	C[5]-4:C[5]-3:N-3:	C[5]-4:C[5]-3:C-4:C-2:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]CC)(C[5]C[5]C)(NHH)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N)(CH3)(CN)	C[5](C[5]C[5]HH)(C[5]C[5]N)(COO)	C[5](C[5]C[5]CC)(C[5]C[5]C)(NHH){1|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N)(CH3)(CN){2|H<1>,3|C<3>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(COO){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	110.0580	1.044	2	110.0580	1.089	2	110.0658	0.411	6	110.0658	0.411	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:4:2:	4:3:4:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CO)(C[5]C[5]C)(CC[6a]O)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(OH)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]CO)(C[5]C[5]C)(CC[6a]O){1|C<2>,1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(OH){1|C<2>,1|C<3>,1|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3){1|C<4>,1|O<2>,2|H<1>}	111.7940	0.000	1	111.7940	0.000	1	111.7940	0.000	1	111.7940	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:4:3:	4:3:3:	C[5]-4:C[5]-3:N-3:	Ge[4,5]-4:C[5]-3:C-4:N-3:	C[4,5]-4:C[5]-3:N-3:	C[5](C[5]Ge[4,5]CN)(C[5]C[4,5]N)(NCC)	C[5](Ge[4,5]C[4,5]C[4]W)(C[5]C[5]N)(CC[5]HH)(NCC)	C[5](C[4,5]Ge[4,5]C[4]N)(C[5]C[5]N)(NCC)	C[5](C[5]Ge[4,5]CN)(C[5]C[4,5]N)(NCC){1|N<3>,1|W<9>,2|C<3>}	C[5](Ge[4,5]C[4,5]C[4]W)(C[5]C[5]N)(CC[5]HH)(NCC){1|C<3>,3|N<3>}	C[5](C[4,5]Ge[4,5]C[4]N)(C[5]C[5]N)(NCC){1|C<3>,1|C<4>,1|W<9>,2|N<3>}	121.1850	0.000	1	121.1850	0.000	1	121.1850	0.000	1	121.1850	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:4:4:	2:3:4:	C[5]-4:C[5]-3:C-3:	C[5,6]-4:C[5]-3:C-4:C-4:	O[5]-2:C[5]-3:C-4:	C[5](C[5]C[5,6]CC)(C[5]O[5]C)(COO)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(CF3)(CH3)	C[5](O[5]C[5,6])(C[5]C[5]C)(CH3)	C[5](C[5]C[5,6]CC)(C[5]O[5]C)(COO){2|C<3>}	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(CF3)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[5](O[5]C[5,6])(C[5]C[5]C)(CH3){2|C<3>,2|C<4>}	109.6320	0.000	1	109.6320	0.000	1	109.6320	0.000	1	109.6320	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:4:4:	3:2:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]CC)(C[5]O[5]O)(CC[6a]H)	C[5](C[5]O[5]HH)(C[5]C[5]C)(CHHS)(CH3)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]CC)(C[5]O[5]O)(CC[6a]H){2|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]C)(CHHS)(CH3){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){2|C<4>,2|H<1>}	107.3220	0.000	1	107.3220	0.000	1	107.3220	0.000	1	107.3220	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:4:4:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]CC)(C[5]N[5]O)(CC[6a]H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CHHO)(CH3)	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	C[5](C[5]C[5]CC)(C[5]N[5]O)(CC[6a]H){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(CHHO)(CH3){1|C<4>,1|O<1>}	C[5](C[5]C[5]C)(N[5]C[5]C)(O){2|C<4>,2|H<1>}	107.5410	0.000	1	107.5410	0.000	1	107.5410	0.000	1	107.5410	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:4:4:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[3x5]-4:C[5]-3:C-4:C-4:	C[3x5]-4:C[5]-3:H-1:	C[5](C[5]C[3x5]CC)(C[5]C[3x5]H)(CCO)	C[5](C[3x5]C[3x5]C[5]O[5])(C[5]C[5]C)(CHHO)(CH3)	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[5]C)(H)	C[5](C[5]C[3x5]CC)(C[5]C[3x5]H)(CCO){1|C<3>,1|O<2>,2|C<4>}	C[5](C[3x5]C[3x5]C[5]O[5])(C[5]C[5]C)(CHHO)(CH3){2|C<3>,2|C<4>,3|H<1>}	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[5]C)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,5|C<4>}	112.7700	0.000	1	112.7700	0.000	1	112.7700	0.000	1	109.9707	4.345	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:4:4:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5,5]-4:C[5]-3:C-4:C-4:	C[5,5]-4:C[5]-3:O-1:	C[5](C[5]C[5,5]CC)(C[5]C[5,5]O)(CCO)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]C)(CH3)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]C)(O)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]O)(CCO){1|C<3>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]C)(CH3)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]C)(O){1|O<1>,5|C<4>}	110.6220	0.000	1	110.6220	0.000	1	110.6220	0.000	1	109.9707	4.345	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:4:4:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]H)(CC[5,6]O)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(CC[5,6]O){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(CH3){3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){2|C<4>,2|H<1>}	112.1590	0.000	1	112.1590	0.000	1	112.1590	0.000	1	109.9707	4.345	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:4:4:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]CC)(C[5]C[5]O)(CCH)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[5]HH)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]CC)(C[5]C[5]O)(CCH){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[5]HH)(CH3){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|H<1>,3|C<4>}	108.6670	0.000	1	108.6670	0.000	1	108.8430	2.751	5	109.9707	4.345	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:4:4:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]CC)(C[5]C[5]O)(CCH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HH)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]CC)(C[5]C[5]O)(CCH){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HH)(CH3){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){2|C<4>,2|H<1>}	106.7800	0.000	1	106.7800	0.000	1	108.8430	2.751	5	109.9707	4.345	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:4:4:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]CC)(C[5]C[5]O)(CCH)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]C)(CCHH)(CH3)	C[5](C[5]C[5]N[5]H)(C[5]C[5]C)(O)	C[5](C[5]C[5]CC)(C[5]C[5]O)(CCH){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5]C[6a]C[5]C)(C[5]C[5]C)(CCHH)(CH3){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]C)(O){2|C<3>,4|C<4>}	108.1820	0.000	1	108.1820	0.000	1	108.8430	2.751	5	109.9707	4.345	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:4:4:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]CC)(C[5]C[5]O)(CCO)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]CC)(C[5]C[5]O)(CCO){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH)(CH3){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|H<1>,3|C<4>}	111.3120	0.000	1	111.3120	0.000	1	108.8430	2.751	5	109.9707	4.345	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:4:4:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6]O)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6]O){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(CH3){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){2|C<4>,2|H<1>}	109.2740	0.000	1	109.2740	0.000	1	108.8430	2.751	5	109.9707	4.345	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:4:4:	4:3:3:	C[5]-4:C[5]-3:C-3:	C[5,5]-4:C[5]-3:C-4:C-4:	C[5,5]-4:C[5]-3:C-3:	C[5](C[5]C[5,5]CC)(C[5]C[5,5]C)(CCC)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(CH3)2	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[5]C)(CC[6a]2)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]C)(CCC){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(CH3)2{1|C<4>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[5]C)(CC[6a]2){1|H<1>,2|C<4>,3|C<3>}	108.2140	0.000	1	108.2140	0.000	1	108.2140	0.000	1	107.3980	1.955	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:4:4:	4:3:3:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCC)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]2)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCC){1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]2){1|C<3>,1|H<1>,2|C<4>}	107.7240	0.000	1	107.7240	0.000	1	107.1260	2.488	3	107.3980	1.955	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:3:4:4:	4:3:3:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCH)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCH)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCH){4|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3)2{1|C<3>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCH){4|C<4>}	106.8270	2.107	2	106.8270	4.440	2	107.1260	2.488	3	107.3980	1.955	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:4:3:1:	3:2:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C-4:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH)	C[5](C[5]O[5]CH)(CC[5,6]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH){1|C<4>,1|H<1>}	C[5](C[5]O[5]CH)(CC[5,6]HH)(C[5]C[5]C)(H){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){2|C<4>,2|H<1>}	106.2606	0.615	10	106.2606	0.378	10	106.3198	0.379	11	106.5086	0.772	12	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:4:3:1:	3:2:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C-4:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH)	C[5](C[5]O[5]CH)(CC[5,6]HO)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH){1|C<4>,1|H<1>}	C[5](C[5]O[5]CH)(CC[5,6]HO)(C[5]C[5]C)(H){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){2|C<4>,2|H<1>}	106.9120	0.000	1	106.9120	0.000	1	106.3198	0.379	11	106.5086	0.772	12	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:4:3:1:	3:2:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]2H)(C[5]O[5]O)(CHH)	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]2H)(C[5]O[5]O)(CHH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(C[5]C[5]C)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5]C)(O[5]C[5])(O){2|C<4>,2|H<1>}	108.5850	0.000	1	108.5850	0.000	1	108.5850	0.000	1	106.5086	0.772	12	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:Si-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]SiH)(C[5]C[5]H)(CCC)	C[5](C[5]C[5]HH)(SiC[6a]2C)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]SiH)(C[5]C[5]H)(CCC){3|H<1>}	C[5](C[5]C[5]HH)(SiC[6a]2C)(C[5]C[5]C)(H){2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|Si<4>,3|H<1>}	105.1290	0.000	1	105.1290	0.000	1	105.1290	0.000	1	105.1290	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:4:3:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]2H)(C[5]C[5]H)(CCC)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]2H)(C[5]C[5]H)(CCC){2|C<4>,2|O<2>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(C[5]C[5]C)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){1|H<1>,1|O<2>,2|C<4>}	108.6360	0.000	1	108.6360	0.000	1	108.6360	0.000	1	108.6340	0.000	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:3:	4:4:3:1:	4:3:1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]2H)(C[5]C[5]O)(CC[6a]H)	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]2H)(C[5]C[5]O)(CC[6a]H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5]HH)(C[5]C[5]C)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|C<4>,3|H<1>}	108.6320	0.000	1	108.6320	0.000	1	108.6320	0.000	1	108.6340	0.000	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:2:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]O[5]HH)(C[5]C[5]H)(CCHH)	C[5](C[5]C[5]C)(O[5]C[5])(H)2	C[5](C[5]C[5]C)(C[5]O[5]O)(H)	C[5](C[5]O[5]HH)(C[5]C[5]H)(CCHH){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(H)2{1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(C[5]O[5]O)(H){2|H<1>}	108.3977	0.157	3	108.3977	0.025	3	108.3977	0.025	3	108.3977	0.025	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:2:1:1:	3:3:3:	C[5]-4:C[5]-3:C-4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]O[5]HH)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]C)(O[5]C[5])(H)2	C[5](C[5]C[5]C)(C[5]O[5]O)(CCH)	C[5](C[5]O[5]HH)(C[5]C[5]C)(CCHH){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[5]C)(C[5]O[5]O)(CCH){2|H<1>}	108.5740	0.000	1	108.5740	0.000	1	108.5740	0.000	1	108.9140	0.153	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:2:1:1:	3:3:3:	C[5]-4:C[5]-3:C[5]-4:	C[5]-3:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5,6a]C[5]C)(C[5]C[6a]C[5])(C[5]O[5]HH)	C[5](C[5]C[5]2)(O[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]2)(C[5]O[5]O)	C[5](C[5]C[5,6a]C[5]C)(C[5]C[6a]C[5])(C[5]O[5]HH){1|N<3>,1|O<1>,5|C<3>}	C[5](C[5]C[5]2)(O[5]C[5])(H)2{1|O<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]2)(C[5]O[5]O){4|H<1>,5|C<3>}	108.6870	0.000	1	108.6870	0.000	1	109.0273	0.153	3	108.9140	0.153	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:2:1:1:	3:3:3:	C[5]-4:C[5]-3:C[5]-4:	C[5]-3:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5,6a]C[5]H)(C[5]C[6a]C[5])(C[5]O[5]HH)	C[5](C[5]C[5]2)(O[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]2)(C[5]O[5]O)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[6a]C[5])(C[5]O[5]HH){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5]C[5]2)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]2)(C[5]O[5]O){1|C<4>,3|C<3>,5|H<1>}	108.9400	0.000	1	109.1975	0.133	2	109.0273	0.153	3	108.9140	0.153	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:2:1:1:	3:3:3:	C[5]-4:C[5]-3:C[5]-4:	C[5]-3:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5,6a]C[5]H)(C[5]C[6a]C[5])(C[5]O[5]HH)	C[5](C[5]C[5]2)(O[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]2)(C[5]O[5]O)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[6a]C[5])(C[5]O[5]HH){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5]2)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]2)(C[5]O[5]O){1|C<4>,3|C<3>,5|H<1>}	109.4550	0.000	1	109.1975	0.133	2	109.0273	0.153	3	108.9140	0.153	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:2:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]O[5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(O[5]C[5])(H)2	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHH)	C[5](C[5]O[5]HH)(C[5]C[5]C)(CH3){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHH){2|H<1>}	109.4415	0.319	2	109.4415	0.102	2	109.4415	0.102	2	109.4415	0.102	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:2:2:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]O[5]HO)(C[5]C[5]H)(CCHH)	C[5](C[5]C[5]C)(O[5]C[5])(OC)(H)	C[5](C[5]C[5]C)(C[5]O[5]O)(H)	C[5](C[5]O[5]HO)(C[5]C[5]H)(CCHH){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(OC)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(C[5]O[5]O)(H){1|H<1>,1|O<2>}	108.3000	0.000	1	108.3000	0.000	1	108.7808	0.209	6	108.7808	0.209	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:2:2:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]O[5]HO)(C[5]C[5]H)(CCHH)	C[5](C[5]C[5]C)(O[5]C[5])(OH)(H)	C[5](C[5]C[5]C)(C[5]O[5]O)(H)	C[5](C[5]O[5]HO)(C[5]C[5]H)(CCHH){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(OH)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(C[5]O[5]O)(H){1|H<1>,1|O<2>}	109.2300	0.000	1	109.2300	0.000	1	108.7808	0.209	6	108.7808	0.209	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:2:2:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]O[5]HO)(C[5]C[5]H)(CCHO)	C[5](C[5]C[5]C)(O[5]C[5])(OC)(H)	C[5](C[5]C[5]C)(C[5]O[5]O)(H)	C[5](C[5]O[5]HO)(C[5]C[5]H)(CCHO){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(OC)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(C[5]O[5]O)(H){1|H<1>,1|O<2>}	108.5575	0.180	2	108.5575	0.033	2	108.7808	0.209	6	108.7808	0.209	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:2:2:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]O[5]HO)(C[5]C[5]H)(CCHO)	C[5](C[5]C[5]C)(O[5]C[5])(OH)(H)	C[5](C[5]C[5]C)(C[5]O[5]O)(H)	C[5](C[5]O[5]HO)(C[5]C[5]H)(CCHO){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(OH)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(C[5]O[5]O)(H){1|H<1>,1|O<2>}	109.0200	0.604	2	109.0200	0.365	2	108.7808	0.209	6	108.7808	0.209	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:2:2:1:	4:3:3:	C[5]-4:C[5]-3:C-4:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5]O[5]HO)(C[5]C[5]2)(CH3)	C[5](C[5]C[5]C)(O[5]C[5])(OH)(H)	C[5](C[5]C[5,6a]O[5]C)(C[5]C[5]C)(C[5]O[5]O)	C[5](C[5]O[5]HO)(C[5]C[5]2)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[5](C[5]C[5]C)(O[5]C[5])(OH)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5,6a]O[5]C)(C[5]C[5]C)(C[5]O[5]O){1|H<1>,1|O<2>,3|C<3>}	109.0340	0.000	1	109.0340	0.000	1	109.0340	0.000	1	109.0340	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:2:2:2:	4:3:3:	C[5]-4:C[5]-3:C-4:	C[5]-3:O[5]-2:C-2:C-2:	C[5]-4:C[5]-3:C-3:	C[5](C[5]O[5]CC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(O[5]C[5])(CN)2	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(COO)	C[5](C[5]O[5]CC)(C[5]C[5]C)(CH3){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(O[5]C[5])(CN)2{1|H<1>,2|C<3>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(COO){2|C<2>,2|C<3>}	106.9420	0.146	2	106.9420	0.021	2	106.9420	0.021	2	106.9420	0.021	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:2:3:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:O[5]-2:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]C)(O[5]C[5])(CCH)(H)	C[5](C[5]O[5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHH){2|H<1>}	C[5](C[5]C[5]C)(O[5]C[5])(CCH)(H){1|C<4>,2|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]C)(CH3){1|C<3>,1|H<1>}	110.0750	0.820	2	110.0750	0.673	2	110.0750	0.673	2	110.0750	0.673	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:2:3:4:	4:3:1:	C[5]-4:C[5]-3:Si-4:	C[5]-3:O[5]-2:C-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5]O[5]CC)(C[5]C[5]H)(SiC3)	C[5](C[5]C[5]Si)(O[5]C[5])(CN[5]O)(CH3)	C[5](C[5]O[5]HH)(C[5]C[5]Si)(H)	C[5](C[5]O[5]CC)(C[5]C[5]H)(SiC3){2|H<1>}	C[5](C[5]C[5]Si)(O[5]C[5])(CN[5]O)(CH3){3|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]Si)(H){1|C<3>,1|C<4>}	106.9850	0.000	1	106.9850	0.000	1	106.9850	0.000	1	106.9850	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:2:4:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]O[5]CH)(C[5]C[5]H)(CC[5a]HH)	C[5](C[5]C[5]C)(O[5]C[5])(CCHH)(H)	C[5](C[5]C[5]C)(C[5]O[5]O)(H)	C[5](C[5]O[5]CH)(C[5]C[5]H)(CC[5a]HH){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(C[5]O[5]O)(H){1|C<4>,1|H<1>}	108.7380	0.219	2	108.7380	0.048	2	108.7380	0.048	2	108.7380	0.048	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:2:4:1:	3:3:2:	C[5]-4:C[5]-3:C-4:	C[5]-3:P[5]-2:C-4:H-1:	C[5]-3:C[5]-3:O-2:	C[5](C[5]P[5]CH)(C[5]C[5]O)(CC3)	C[5](C[5]C[5]C)(P[5]C[5])(CC3)(H)	C[5](C[5]C[5]C)(C[5]P[5]C)(OSi)	C[5](C[5]P[5]CH)(C[5]C[5]O)(CC3){1|C<3>}	C[5](C[5]C[5]C)(P[5]C[5])(CC3)(H){1|C<3>,1|O<2>}	C[5](C[5]C[5]C)(C[5]P[5]C)(OSi){1|C<4>,1|H<1>}	111.1055	0.218	2	111.1055	0.048	2	111.1055	0.048	2	111.1055	0.048	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:2:4:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]C)(O[5]C[5])(CCHH)(H)	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHH){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(CCHH)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3){1|C<4>,1|H<1>}	109.9330	0.000	1	109.9330	0.000	1	109.9330	0.000	1	109.9330	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:2:4:2:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-2:C-4:O-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]CO)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(N[5]C[5])(CC3)(OO)	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C[5](C[5]N[5]CO)(C[5]C[5]C)(CH3){1|C<4>}	C[5](C[5]C[5]C)(N[5]C[5])(CC3)(OO){2|C<4>}	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3){1|C<4>,1|O<2>}	108.1530	0.000	1	108.1530	0.000	1	108.1530	0.000	1	108.1530	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:2:4:4:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-2:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]CC)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]C)(N[5]C[5])(CCHH)(CH3)	C[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](C[5]N[5]CC)(C[5]C[5]H)(CH3){1|C<4>}	C[5](C[5]C[5]C)(N[5]C[5])(CCHH)(CH3){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(C[5]N[5]C)(H){2|C<4>}	107.5400	0.000	1	107.5400	0.000	1	107.5400	0.000	1	107.5400	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:2:4:4:	3:3:2:	C[5]-4:C[5]-3:C-4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-3:C[5]-3:S-2:	C[5](C[5]O[5]CC)(C[5]C[5]S)(CH3)	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2	C[5](C[5]C[5]C)(C[5]O[5]C)(SC[6a])	C[5](C[5]O[5]CC)(C[5]C[5]S)(CH3){1|C<3>}	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2{1|C<3>,1|S<2>}	C[5](C[5]C[5]C)(C[5]O[5]C)(SC[6a]){2|C<4>}	110.0360	0.000	1	110.0360	0.000	1	110.0360	0.000	1	110.0360	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(CCCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(CCCH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{2|C<3>,2|H<1>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(H){2|H<1>,3|C<3>}	110.4610	0.000	1	110.4610	0.000	1	110.5980	0.038	2	109.1684	2.315	17	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(CHHS)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(CHHS){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){2|C<3>,3|H<1>}	110.7350	0.000	1	110.7350	0.000	1	110.5980	0.038	2	109.1684	2.315	17	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC3)	C[5](C[5]C[5]B)(C[5]C[5]C)(H)2	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC3){1|B<3>,1|H<1>}	C[5](C[5]C[5]B)(C[5]C[5]C)(H)2{2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|B<3>,2|H<1>}	107.9070	0.000	1	107.9070	0.000	1	108.1170	2.618	8	109.1684	2.315	17	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC3)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)2	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]C)2(H){3|H<1>}	107.3530	0.000	1	107.3530	0.000	1	108.1170	2.618	8	109.1684	2.315	17	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC3)	C[5](C[5]C[5]C)2(H)2	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC3){2|C<4>}	C[5](C[5]C[5]C)2(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]C)2(H){1|C<4>,2|H<1>}	107.4700	0.337	2	107.4700	0.113	2	108.1170	2.618	8	109.1684	2.315	17	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHH)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)2	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHH){2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H)2{2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){3|H<1>}	107.6535	1.501	2	107.6535	2.254	2	108.1170	2.618	8	109.1684	2.315	17	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HH)	C[5](C[5]C[5]C)2(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|O<1>}	C[5](C[5]C[5]C)2(H)2{1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(H){1|C<3>,2|H<1>}	111.8310	0.000	1	111.8310	0.000	1	108.1170	2.618	8	109.1684	2.315	17	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CNNY)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)2	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CNNY){2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H)2{2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){3|H<1>}	107.5980	0.000	1	107.5980	0.000	1	108.1170	2.618	8	109.1684	2.315	17	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]HH)(C[5]C[5]H)(CC[6a]HH)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	C[5](C[5]C[5]C)(C[5]N[5]O)(H)	C[5](C[5]N[5]HH)(C[5]C[5]H)(CC[6a]HH){1|O<1>,1|S<4>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(C[5]N[5]O)(H){1|S<4>,2|H<1>}	110.1490	0.000	1	110.1490	0.000	1	110.1490	0.000	1	109.1684	2.315	17	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]HH)(C[5]C[5]H)(CCHH)	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(H)2	C[5](C[5]C[5]C)(C[5]N[5]O)(H)	C[5](C[5]N[5]HH)(C[5]C[5]H)(CCHH){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(H)2{1|C<3>,1|H<1>,1|N<2>,1|O<1>}	C[5](C[5]C[5]C)(C[5]N[5]O)(H){1|C<3>,2|H<1>}	109.7760	0.000	1	109.7760	0.000	1	109.7760	0.000	1	109.1684	2.315	17	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C[5]-4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(C[5]C[5]2C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(C[5]C[5]2C){1|O<2>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H){2|C<3>,3|C<4>,3|H<1>}	109.4050	0.000	1	109.4050	0.000	1	109.5903	0.101	3	109.1684	2.315	17	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C[5]-4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(C[5]C[5]2Fe)	C[5](C[5,6a]C[5,6a]2)(C[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(C[5]C[5]2Fe){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]2)(C[5]C[5]2)(H)2{1|Fe<10>,1|H<1>,2|C<3>,3|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H){1|Fe<10>,2|C<3>,2|C<4>,3|H<1>}	109.9580	0.000	1	109.9580	0.000	1	109.5903	0.101	3	109.1684	2.315	17	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C[5]-4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(C[5]C[5]2Fe)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]2)(H)2	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]2)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(C[5]C[5]2Fe){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]2)(H)2{1|Fe<10>,1|H<1>,2|C<4>,3|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]2)(H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	109.4080	0.000	1	109.4080	0.000	1	109.5903	0.101	3	109.1684	2.315	17	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C[6]-4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(C[6]C[6]2Cr)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(C[6]C[6]2Cr){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H)2{1|Cr<9>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H){1|Cr<9>,2|C<3>,2|C<4>,3|H<1>}	110.3800	0.000	1	110.3800	0.000	1	110.3800	0.000	1	109.1684	2.315	17	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:P-4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(PCCO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(PCCO){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(H)2{2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(H){2|C<3>,3|H<1>}	110.6550	0.000	1	110.6550	0.000	1	110.6550	0.000	1	109.1684	2.315	17	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:1:1:	3:3:3:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:N-3:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(CH3)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NHS)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(CH3){2|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(H)2{1|N<3>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NHS){2|C<3>,3|H<1>}	108.6630	0.000	1	108.6630	0.000	1	108.6630	0.000	1	108.6630	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(CH3){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH){2|C<3>,3|H<1>}	110.4320	0.000	1	110.4320	0.000	1	110.4320	0.000	1	111.0688	2.422	24	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC3)	C[5](C[5]C[5]C)2(H)2	C[5](C[5]C[5]C)(C[5]C[5]H)(CCCH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC3){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)2(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CCCH){1|C<4>,2|H<1>}	107.8900	0.071	2	107.8900	0.005	2	108.6714	0.531	5	111.0688	2.422	24	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]C[5]O)(H)2	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3){1|H<1>,1|O<2>}	C[5](C[5]C[5]C)(C[5]C[5]O)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3){1|O<2>,2|H<1>}	108.9550	0.000	1	108.9550	0.000	1	108.6714	0.531	5	111.0688	2.422	24	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(H)2	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3){1|C<5>,1|H<1>}	C[5](C[5]C[5]C)2(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3){1|C<5>,2|H<1>}	109.2980	0.000	1	109.2980	0.000	1	108.6714	0.531	5	111.0688	2.422	24	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)2	C[5](C[5]C[5]C)(C[5]C[5]N)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3){1|C<3>,1|N<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)2{1|C<4>,1|N<3>,2|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]N)(CH3){1|C<3>,2|H<1>}	109.3240	0.000	1	109.3240	0.000	1	108.6714	0.531	5	111.0688	2.422	24	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(N[5]C[5]C)(H)2	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3){1|C<3>,1|O<1>}	C[5](C[5]C[5]C)(N[5]C[5]C)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH){1|C<3>,2|H<1>}	110.6260	0.000	1	110.6260	0.000	1	110.1027	0.223	3	111.0688	2.422	24	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(N[5]C[5]H)(H)2	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3){1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(N[5]C[5]H)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH){3|H<1>}	109.8410	0.185	2	109.8410	0.034	2	110.1027	0.223	3	111.0688	2.422	24	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:1:1:	3:3:4:	C[5]-4:C[5]-3:C[6]-4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:P-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(C[6]C[6]2Ru)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(PC[6]2Ru)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(C[6]C[6]2Ru){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H)2{1|Ru<9>,1|H<1>,1|P<4>,2|C<3>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(PC[6]2Ru){2|C<3>,2|C<4>,3|H<1>}	111.5285	1.033	2	111.7050	0.627	3	111.7050	0.627	3	111.0688	2.422	24	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:1:1:	3:3:4:	C[5]-4:C[5]-3:C[6]-4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:P-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(C[6]C[6]2Ru)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(PC[6]2Ru)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(C[6]C[6]2Ru){2|C<3>,4|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H)2{1|Ru<9>,1|H<1>,1|P<4>,2|C<3>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(PC[6]2Ru){2|C<3>,2|C<4>,3|H<1>}	112.0580	0.000	1	111.7050	0.627	3	111.7050	0.627	3	111.0688	2.422	24	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:1:1:	3:3:4:	C[5]-4:C[5]-3:N-4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:P-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(NIrCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PIrCC)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(NIrCC){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H)2{1|H<1>,1|P<4>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PIrCC){2|C<3>,3|H<1>}	112.6780	0.000	1	112.6780	0.000	1	112.2032	0.299	12	111.0688	2.422	24	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:1:1:	3:3:4:	C[5]-4:C[5]-3:N-4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:P-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(NPtCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PPtCC)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(NPtCC){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H)2{1|H<1>,1|P<4>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PPtCC){2|C<3>,3|H<1>}	111.7405	0.234	2	111.7405	0.055	2	112.2032	0.299	12	111.0688	2.422	24	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:1:1:	3:3:4:	C[5]-4:C[5]-3:N-4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:P-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(NRhCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PRhCC)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(NRhCC){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H)2{1|H<1>,1|P<4>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PRhCC){2|C<3>,3|H<1>}	112.0685	0.121	8	112.0685	0.015	8	112.2032	0.299	12	111.0688	2.422	24	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:1:1:	3:3:4:	C[5]-4:C[5]-3:N-4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:P-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(NRuCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PRuCC)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(NRuCC){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H)2{1|H<1>,1|P<4>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PRuCC){2|C<3>,3|H<1>}	113.7310	0.000	1	113.7310	0.000	1	112.2032	0.299	12	111.0688	2.422	24	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:1:1:	3:4:3:	C[5]-4:C[5]-3:N-4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:P-4:C[5]-3:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(NRuCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(PC[6a]2Ru)(C[5]C[5]N)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(NRuCC){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H)2{1|H<1>,1|P<4>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(PC[6a]2Ru)(C[5]C[5]N){2|C<3>,3|H<1>}	111.4775	0.074	2	111.4775	0.006	2	111.4775	0.006	2	110.7097	1.771	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:1:1:	3:4:3:	C[5]-4:C[5]-3:P-4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:P-4:C[5]-3:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(PPtCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(PC[6a]2Pt)(C[5]C[5]P)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(PPtCC){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(H)2{1|H<1>,1|P<4>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(PC[6a]2Pt)(C[5]C[5]P){2|C<3>,3|H<1>}	109.1740	0.000	1	109.1740	0.000	1	109.1740	0.000	1	110.7097	1.771	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]N[5]HH)(C[5]C[5]H)(CCHH)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	C[5](C[5]N[5]CH)(C[5]C[5]C)(H)	C[5](C[5]N[5]HH)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<3>,2|H<1>}	C[5](C[5]N[5]CH)(C[5]C[5]C)(H){1|S<4>,2|H<1>}	110.7450	0.000	1	110.7450	0.000	1	110.8440	0.020	2	111.8520	1.372	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]N[5]HH)(C[5]C[5]H)(CF3)	C[5](C[5]C[5]C)(N[5]C[5]C)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(H)	C[5](C[5]N[5]HH)(C[5]C[5]H)(CF3){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]C)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(H){1|C<4>,2|C<3>,2|H<1>}	110.9430	0.000	1	110.9430	0.000	1	110.8440	0.020	2	111.8520	1.372	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:S-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]N[5]HH)(C[5]C[5]H)(SC[6a]OO)	C[5](C[5]C[5]S)(N[5]C[5]S)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]S)(H)	C[5](C[5]N[5]HH)(C[5]C[5]H)(SC[6a]OO){1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[5]S)(N[5]C[5]S)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]S)(H){1|S<4>,2|C<3>,2|H<1>}	112.8600	0.178	2	112.8600	0.032	2	112.8600	0.032	2	111.8520	1.372	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCCH)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCCH){1|S<4>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH){1|S<4>,2|H<1>}	112.0690	0.000	1	112.0690	0.000	1	111.8275	0.117	2	111.8275	0.117	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH){1|S<4>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH){1|S<4>,2|H<1>}	111.5860	0.000	1	111.5860	0.000	1	111.8275	0.117	2	111.8275	0.117	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(CH3)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH){1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(CH3){1|S<4>,2|C<3>,2|H<1>}	111.8600	0.000	1	111.8600	0.000	1	111.4907	0.168	3	111.4907	0.168	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(N[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3){1|C<3>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]C)(H)2{1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3){1|C<3>,2|H<1>}	111.3060	0.362	2	111.3060	0.131	2	111.4907	0.168	3	111.4907	0.168	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:2:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:O-2:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]H)(CCHO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]H)(CCHO){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OC)(H){2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|O<2>,2|C<3>,2|H<1>}	109.8895	0.412	2	109.8895	0.170	2	109.8895	0.170	2	108.5457	5.503	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:2:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:Ga-2:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]GaH)(C[5]C[5]H)(CC3)	C[5](C[5]C[5]C)2(GaGa)(H)	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]GaH)(C[5]C[5]H)(CC3){2|C<4>}	C[5](C[5]C[5]C)2(GaGa)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)2(H){1|Ga<2>,1|C<4>,1|H<1>}	105.8580	0.000	1	105.8580	0.000	1	105.8580	0.000	1	108.5457	5.503	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:2:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:Ga-2:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]GaH)(C[5]C[5]C)(CC3)	C[5](C[5]C[5]C)2(GaGa)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC3)	C[5](C[5]C[5]GaH)(C[5]C[5]C)(CC3){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)2(GaGa)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CC3){1|Ga<2>,1|C<4>,1|H<1>}	106.5390	0.000	1	106.5390	0.000	1	106.5390	0.000	1	107.4580	1.689	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:2:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(CBrCC)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)(O[5]C[5])(H)	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(CBrCC){1|O<1>,2|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3){1|C<3>,1|H<1>}	108.3770	0.000	1	108.3770	0.000	1	108.3770	0.000	1	107.4580	1.689	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:2:4:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:Ga-2:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(GaC[5])(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(GaC[5])(CH3){2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|Ga<2>,2|C<4>}	108.6875	0.652	8	108.6875	0.425	8	108.6434	0.617	18	108.1998	1.291	24	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:2:4:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:Ga-2:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(GaMo)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(GaMo)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|Ga<2>,2|C<4>}	108.5680	0.522	2	108.5680	0.272	2	108.6434	0.617	18	108.1998	1.291	24	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:2:4:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:Ga-2:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(GaRh)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(GaRh)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|Ga<2>,2|C<4>}	108.0965	0.661	2	108.0965	0.437	2	108.6434	0.617	18	108.1998	1.291	24	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:2:4:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:Ga-2:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(GaRu)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(GaRu)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|Ga<2>,2|C<4>}	108.7920	1.100	6	108.7920	1.210	6	108.6434	0.617	18	108.1998	1.291	24	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:2:4:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:In-2:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]InC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(InRh)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]InC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(InRh)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|In<2>,2|C<4>}	107.3200	0.777	4	107.3200	0.604	4	106.8690	1.006	6	108.1998	1.291	24	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:2:4:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:In-2:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]InC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(InRu)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]InC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(InRu)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|In<2>,2|C<4>}	105.9670	0.881	2	105.9670	0.776	2	106.8690	1.006	6	108.1998	1.291	24	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:3:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:N-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]H)(CH3)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(NHS)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]H)(CH3){2|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(NHS)(H){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|N<3>,2|C<3>,2|H<1>}	108.7550	0.000	1	108.7550	0.000	1	108.7550	0.000	1	109.8532	1.501	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:3:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:Br-1:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]Br)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(Br)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]Br)(CCHH){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|Br<1>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(Br){2|H<1>,3|C<3>}	107.9310	0.000	1	107.9310	0.000	1	107.9310	0.000	1	109.8532	1.501	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:3:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]H)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]H)(CH3){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|C<4>,1|H<1>,3|C<3>}	110.3140	0.000	1	110.6082	0.108	4	110.6082	0.108	4	109.8532	1.501	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:3:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]H)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]H)(CH3){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H){4|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,1|O<2>,3|C<3>}	110.7063	0.322	3	110.6082	0.108	4	110.6082	0.108	4	109.8532	1.501	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:3:1:	3:3:2:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-2:	C[5](C[5]C[5,6a]N[5]H)(C[5]C[5,6a]C)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(N[5]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CN)	C[5](C[5]C[5,6a]N[5]H)(C[5]C[5,6a]C)(CH3){1|C<4>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(N[5]C[5]2)(H){1|C<2>,1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CN){1|N<3>,2|C<3>,2|H<1>}	108.8960	0.000	1	108.8960	0.000	1	108.8960	0.000	1	109.3505	0.413	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:3:1:	3:3:2:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:O[5]-2:	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5])(CF3)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]O[5]S)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5])(CF3){1|S<4>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]O[5]S)(H){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]N[5]){1|S<4>,3|C<3>,3|H<1>}	109.8050	0.000	1	109.8050	0.000	1	109.8050	0.000	1	109.3505	0.413	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:3:1:	3:3:3:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[6a])(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[6a])(CCHH){6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|O<2>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){4|H<1>,5|C<3>}	109.7030	0.000	1	109.7030	0.000	1	109.7030	0.000	1	110.5853	1.043	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:3:1:	3:3:3:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]CH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(N[5]C[5]H)(CCH)(H)	C[5](C[5]C[5]C)(C[5]N[5]O)(CCO)	C[5](C[5]N[5]CH)(C[5]C[5]C)(CH3){1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(N[5]C[5]H)(CCH)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]C)(C[5]N[5]O)(CCO){1|C<3>,2|H<1>}	110.3490	0.000	1	110.3490	0.000	1	110.3490	0.000	1	110.5853	1.043	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:3:1:	3:3:3:	C[5]-4:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[6a])(SC[6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]S)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]S)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[6a])(SC[6a]OO){6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]S)(H){3|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]S){4|H<1>,5|C<3>}	111.7040	0.000	1	111.7040	0.000	1	111.7040	0.000	1	110.5853	1.043	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:3:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:As-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]AsH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(AsC[5]2)(H)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]AsH)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(AsC[5]2)(H){2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|As<3>,1|C<4>,1|H<1>}	108.3882	0.207	6	108.3882	0.043	6	108.3882	0.043	6	108.6117	0.137	12	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:3:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CCHH)	C[5](C[6a]C[6a]2)(C[5]C[5]C)2(H)	C[5](C[5]C[5]C)2(CCHH)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CCHH){2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)2(H){1|H<1>,1|P<3>,2|C<3>,2|C<4>}	C[5](C[5]C[5]C)2(CCHH){1|C<3>,1|C<4>,1|H<1>}	109.2585	0.023	2	109.2585	0.001	2	109.0395	0.064	4	108.6117	0.137	12	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:3:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CH3)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)2(H)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CH3){2|C<3>,2|C<4>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)2(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|C<3>,1|C<4>,1|H<1>}	108.8205	0.026	2	108.8205	0.001	2	109.0395	0.064	4	108.6117	0.137	12	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:3:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	Si[4]-3:C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]Si[4]C[5]H)(C[5]C[5]C)(CH3)	C[5](Si[4]N[4]2)(C[5]C[5]C)2(H)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]Si[4]C[5]H)(C[5]C[5]C)(CH3){2|C<4>,2|N<3>}	C[5](Si[4]N[4]2)(C[5]C[5]C)2(H){1|C<3>,4|C<4>}	C[5](C[5]C[5]C)2(CH3){1|Si<3>,1|C<4>,1|H<1>}	108.4265	0.046	2	108.4265	0.002	2	108.4265	0.002	2	108.6117	0.137	12	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:3:1:	3:4:3:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])(CClHH)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]C)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])(CClHH){1|S<4>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H){3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]C){1|S<4>,3|C<3>,3|H<1>}	112.6990	0.000	1	112.6990	0.000	1	112.6990	0.000	1	112.6990	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:3:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]N[5]CH)(C[5]C[5]H)(CCHH)	C[5](C[5]C[5]C)(N[5]C[5]S)(CCN)(H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(H)	C[5](C[5]N[5]CH)(C[5]C[5]H)(CCHH){1|S<4>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(CCN)(H){3|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(H){1|C<3>,1|H<1>,1|S<4>}	111.0070	0.000	1	111.0070	0.000	1	111.0070	0.000	1	111.1215	0.026	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:3:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5a]-3:C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5a]C[5]H)(C[5]C[5,5]H)(CC3)	C[5](C[5a]C[5a]O[5a])(C[5]C[5,5]O)(C[5]C[5]C)(H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5,5]H)(CC3){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[5](C[5a]C[5a]O[5a])(C[5]C[5,5]O)(C[5]C[5]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(H){1|O<1>,3|C<3>,3|H<1>}	111.2360	0.000	1	111.2360	0.000	1	111.2360	0.000	1	111.1215	0.026	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:3:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(CH3)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(CH3){1|S<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH){1|C<3>,1|H<1>,1|S<4>}	111.7950	0.000	1	111.7950	0.000	1	111.7950	0.000	1	111.7950	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:3:2:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[6]-3:N[5]-3:C[5]-3:O-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6]N[5]O)(C[5]C[5]H)(CC3)	C[5](C[6]C[6]N[6])(N[5]C[5]Pt)(C[5]C[5]C)(OO)	C[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](C[5]C[6]N[5]O)(C[5]C[5]H)(CC3){1|Pt<6>,1|C<3>,1|C<4>,1|N<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Pt)(C[5]C[5]C)(OO){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]C)(C[5]N[5]C)(H){1|Pt<6>,1|C<3>,1|O<2>}	106.1575	0.098	2	106.1575	0.010	2	106.1575	0.010	2	106.1575	0.010	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:3:2:	3:3:2:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:O[5]-2:	C[5]-3:C[5]-3:C-2:	C[5](C[5]C[6a]2O[5])(C[5]C[5]C)(CH3)	C[5](C[6a]C[6a]2)2(C[5]C[5]C)(O[5]C[5])	C[5](C[5]C[5]C)(C[5]O[5]C)(CN)	C[5](C[5]C[6a]2O[5])(C[5]C[5]C)(CH3){5|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]C)(O[5]C[5]){1|C<2>,4|H<1>,5|C<3>}	C[5](C[5]C[5]C)(C[5]O[5]C)(CN){2|C<3>}	109.1315	0.056	2	109.1315	0.003	2	109.1315	0.003	2	109.1315	0.003	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:3:2:	3:3:3:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:S-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a]S)(C[5]C[5,6a]C[6a])(CC[6a]HS)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(SC)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[5,6a]C[6a]S)(C[5]C[5,6a]C[6a])(CC[6a]HS){6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(SC){3|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|S<2>,3|H<1>,5|C<3>}	110.5240	0.051	2	110.5240	0.003	2	110.5240	0.003	2	110.5240	0.003	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:3:2:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:C-3:O-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]CO)(C[5]C[5]C)(CHHO)	C[5](C[5]C[5]C)(N[5]C[5]H)(CCO)(OH)	C[5](C[5]C[5]C)(C[5]N[5]O)(CHHO)	C[5](C[5]N[5]CO)(C[5]C[5]C)(CHHO){1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(N[5]C[5]H)(CCO)(OH){1|C<4>,1|O<1>}	C[5](C[5]C[5]C)(C[5]N[5]O)(CHHO){1|C<3>,1|H<1>,1|O<2>}	109.9220	0.000	1	109.9220	0.000	1	109.9220	0.000	1	109.9220	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:3:3:	3:3:2:	C[5]-4:C[5]-3:P-4:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-2:	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]O)(PC[6a]3)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]P)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(OB)	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]O)(PC[6a]3){6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]P){1|O<2>,5|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(OB){1|H<1>,4|C<3>}	111.1190	0.246	2	111.1190	0.061	2	110.9733	0.094	3	110.9733	0.094	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:3:3:	3:3:2:	C[5]-4:C[5]-3:P-4:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-2:	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]O)(PC[6a]3)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]P)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(OH)	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]O)(PC[6a]3){6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]P){1|O<2>,5|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(OH){1|H<1>,4|C<3>}	110.6820	0.000	1	110.6820	0.000	1	110.9733	0.094	3	110.9733	0.094	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:3:3:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-3:N[5]-3:C-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[6a]N[5]C)(C[5]C[5]H)(CH3)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C)(CNO)	C[5](C[5]N[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]C)(C[5]C[5]H)(CH3){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C)(CNO){1|Cl<1>,2|C<3>,4|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(H){3|C<3>}	110.9400	0.000	1	111.0830	0.041	2	111.0830	0.041	2	110.4883	1.081	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:3:3:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-3:N[5]-3:C-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[6a]N[5]C)(C[5]C[5]H)(CH3)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C)(CNO)	C[5](C[5]N[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]C)(C[5]C[5]H)(CH3){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C)(CNO){2|C<3>,5|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(H){3|C<3>}	111.2260	0.000	1	111.0830	0.041	2	111.0830	0.041	2	110.4883	1.081	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:3:3:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5,6]-3:C[5]-3:C-3:C-3:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]N[5,6]CC)(C[5]C[5,6]H)(CCHH)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(COO)2	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]C)(H)	C[5](C[5]N[5,6]CC)(C[5]C[5,6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(COO)2{1|C<3>,1|C<4>,4|H<1>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]C)(H){1|C<4>,4|C<3>}	109.2990	0.000	1	109.2990	0.000	1	109.2990	0.000	1	110.4883	1.081	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:3:4:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:As-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]AsC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(AsWW)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]AsC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(AsWW)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|As<3>,2|C<4>}	108.6530	0.747	4	108.6530	0.558	4	108.6530	0.558	4	109.0372	0.651	51	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:3:4:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:B-3:C-4:	C[5]-3:C[5]-3:C-4:	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)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]BC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(BC[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|B<3>,2|C<4>}	109.4811	0.688	8	109.4811	0.473	8	109.3460	0.495	12	109.0372	0.651	51	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:3:4:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:B-3:C-4:	C[5]-3:C[5]-3:C-4:	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)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]BC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(BC[5]Cl)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|B<3>,2|C<4>}	109.0757	0.751	4	109.0757	0.564	4	109.3460	0.495	12	109.0372	0.651	51	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:3:4:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CC[6a]C)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(CC[6a]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|C<3>,2|C<4>}	110.0570	1.090	2	110.0570	1.189	2	109.3110	1.258	4	109.0372	0.651	51	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:3:4:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CPtO)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(CPtO)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|C<3>,2|C<4>}	108.5650	0.600	2	108.5650	0.360	2	109.3110	1.258	4	109.0372	0.651	51	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:3:4:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:Ga-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(GaC[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(GaC[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|Ga<3>,2|C<4>}	108.0930	1.040	4	108.0930	1.081	4	108.4909	0.733	11	109.0372	0.651	51	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:3:4:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:Ga-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(GaC[5]Cl)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(GaC[5]Cl)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|Ga<3>,2|C<4>}	109.1087	0.373	3	109.1087	0.139	3	108.4909	0.733	11	109.0372	0.651	51	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:3:4:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:Ga-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(GaRu2)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(GaRu2)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|Ga<3>,2|C<4>}	108.4255	0.820	4	108.4255	0.672	4	108.4909	0.733	11	109.0372	0.651	51	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:3:4:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:N-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]CN)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(NLaN)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]CN)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(NLaN)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|N<3>,2|C<4>}	109.4215	0.043	2	109.4215	0.002	2	109.4215	0.002	2	109.0372	0.651	51	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:3:4:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:N-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]CN)(C[5]N[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]N[5]O)(NC[6a]H)(CH3)	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(CHHP)	C[5](C[5]C[5]CN)(C[5]N[5]C)(CH3){1|C<3>,1|O<1>}	C[5](C[5]C[5]C)(C[5]N[5]O)(NC[6a]H)(CH3){1|C<3>,1|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(CHHP){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	109.2840	0.000	1	109.2840	0.000	1	109.2840	0.000	1	109.0372	0.651	51	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:3:4:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:O-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]CO)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(OZn2)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]CO)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(OZn2)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|O<3>,2|C<4>}	110.2825	0.351	4	110.2825	0.123	4	110.2825	0.123	4	109.0372	0.651	51	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:3:4:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:P[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]P[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(P[5]C[5]2)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]P[5]C)(C[5]C[5]C)(CH3){2|C<3>,2|C<4>}	C[5](C[5]C[5]C)2(P[5]C[5]2)(CH3){2|C<4>,4|C<3>}	C[5](C[5]C[5]C)2(CH3){1|P<3>,2|C<4>}	108.6895	0.308	2	108.6895	0.095	2	108.6582	0.036	4	109.0372	0.651	51	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:3:4:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:P[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]P[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(P[5]N[5]2)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]P[5]C)(C[5]C[5]C)(CH3){2|C<4>,2|N<3>}	C[5](C[5]C[5]C)2(P[5]N[5]2)(CH3){2|C<4>,4|C<3>}	C[5](C[5]C[5]C)2(CH3){1|P<3>,2|C<4>}	108.6270	0.091	2	108.6270	0.008	2	108.6582	0.036	4	109.0372	0.651	51	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:3:4:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:Si-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]SiC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(SiC[5]Si)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]SiC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(SiC[5]Si)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|Si<3>,2|C<4>}	109.1170	0.011	2	109.1170	0.000	2	109.0826	0.054	5	109.0372	0.651	51	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:3:4:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:Si-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]SiC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(SiSiN)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]SiC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(SiSiN)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|Si<3>,2|C<4>}	109.0597	0.327	3	109.0597	0.107	3	109.0826	0.054	5	109.0372	0.651	51	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:3:4:	3:3:4:	C[5]-4:C[5]-3:C-4:	Ga[3]-3:C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]Ga[3]C[5]C)(C[5]C[5]C)(CH3)	C[5](Ga[3]C[3,5]2)(C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]Ga[3]C[5]C)(C[5]C[5]C)(CH3){4|C<4>}	C[5](Ga[3]C[3,5]2)(C[5]C[5]C)2(CH3){2|C<3>,4|C<4>}	C[5](C[5]C[5]C)2(CH3){1|Ga<3>,2|C<4>}	108.7445	0.168	2	108.7445	0.028	2	108.7445	0.028	2	109.0372	0.651	51	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:3:4:	3:3:4:	C[5]-4:C[5]-3:C-4:	P[5,5]-3:C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]P[5,5]C[5]C)(C[5]C[5]C)(CH3)	C[5](P[5,5]P[3,5,5]C[4x5])(C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]P[5,5]C[5]C)(C[5]C[5]C)(CH3){1|P<4>,3|C<4>}	C[5](P[5,5]P[3,5,5]C[4x5])(C[5]C[5]C)2(CH3){1|Mo<6>,1|H<1>,6|C<4>}	C[5](C[5]C[5]C)2(CH3){1|P<3>,2|C<4>}	108.3480	0.059	2	108.3480	0.004	2	108.3480	0.004	2	109.0372	0.651	51	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:3:4:	3:4:3:	C[5]-4:C[5]-3:C-4:	C[5a]-3:C[5]-3:C[5]-3:C-4:	C-3:P[5]-4:C[5]-3:	C[5](C[5]C[5a]C[5]C)(C[5]P[5]C)(CH3)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(C[5]P[5]C)(CH3)	C[5](CC[5a]C[6a])(P[5]C[5]CS)(C[5]C[5]C)	C[5](C[5]C[5a]C[5]C)(C[5]P[5]C)(CH3){1|C<4>,1|N<3>,1|S<1>,2|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(C[5]P[5]C)(CH3){1|C<4>,1|S<1>,2|H<1>,3|C<3>}	C[5](CC[5a]C[6a])(P[5]C[5]CS)(C[5]C[5]C){1|C<4>,2|C<3>}	117.4840	0.000	1	117.4840	0.000	1	117.4840	0.000	1	117.4840	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:3:4:	4:3:4:	C[5]-4:C[5]-3:C-4:	B[5,5]-3:C[6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:	C[5](C[5]B[5,5]C[6a]C)(C[5]C[5,5]C)(CH3)	C[5](B[5,5]C[5,5]O[5])(C[6a]C[6a]2)(C[5]C[5]C)(CH3)	C[5](C[5,5]B[5,5]C[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]B[5,5]C[6a]C)(C[5]C[5,5]C)(CH3){1|O<2>,2|C<3>,2|C<4>}	C[5](B[5,5]C[5,5]O[5])(C[6a]C[6a]2)(C[5]C[5]C)(CH3){2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,5]B[5,5]C[5]C)(C[5]C[5]C)(CH3){1|O<2>,2|C<4>,3|C<3>}	115.6020	0.000	1	115.6020	0.000	1	115.6020	0.000	1	113.5090	3.297	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:3:4:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]O)(CCHH)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH){1|O<1>,2|C<4>}	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]O)(CCHH){3|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>,1|O<1>}	112.3570	0.000	1	112.3570	0.000	1	112.4625	0.022	2	113.5090	3.297	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:3:4:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]O)(CCHH)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]O)(CCHH){1|H<1>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>,1|O<1>}	112.5680	0.000	1	112.5680	0.000	1	112.4625	0.022	2	113.5090	3.297	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:4:1:	3:2:3:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-3:O[5]-2:C-3:	C[5](C[5]C[5]CH)(C[5]O[5]C)(CC[5]HO)	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3)(H)	C[5](C[5]C[5]C)(O[5]C[5])(CCH)	C[5](C[5]C[5]CH)(C[5]O[5]C)(CC[5]HO){1|O<1>}	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3)(H){1|C<3>}	C[5](C[5]C[5]C)(O[5]C[5])(CCH){1|C<4>,1|H<1>,1|O<1>}	100.2590	0.000	1	100.2590	0.000	1	100.2590	0.000	1	100.2590	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:4:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:Si-4:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]H)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SiC3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]H)(CCHH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SiC3)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	109.6270	0.000	1	109.6270	0.000	1	109.6270	0.000	1	109.1340	0.700	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:4:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]CH)(C[5]C[5]H)(CH3)	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(CC[6a]HO)(H)	C[5](C[5]C[5]C)(C[5]N[5]O)(H)	C[5](C[5]N[5]CH)(C[5]C[5]H)(CH3){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(CC[6a]HO)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	C[5](C[5]C[5]C)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|H<1>}	109.6070	0.000	1	109.6070	0.000	1	109.6070	0.000	1	109.1340	0.700	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:4:1:	3:3:1:	C[5]-4:C[5]-3:Si-4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]H)(SiC3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si)(CCHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]H)(SiC3){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si)(CCHH)(H){2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si)(H){1|C<4>,2|C<3>,2|H<1>}	108.1680	0.000	1	108.1680	0.000	1	108.1680	0.000	1	109.1340	0.700	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:4:1:	3:3:2:	C[5]-4:C[5]-3:C-4:	P[5,5]-3:C[5]-3:C-4:H-1:	P[5,5]-3:C[5]-3:O-2:	C[5](C[5]P[5,5]CH)(C[5]P[5,5]O)(CC3)	C[5](P[5,5]P[5,5]C[5])(C[5]C[5]C)(CC3)(H)	C[5](P[5,5]P[5,5]C[5])(C[5]C[5]C)(OSi)	C[5](C[5]P[5,5]CH)(C[5]P[5,5]O)(CC3){1|C<3>,1|C<4>}	C[5](P[5,5]P[5,5]C[5])(C[5]C[5]C)(CC3)(H){1|C<3>,1|C<4>,2|O<2>}	C[5](P[5,5]P[5,5]C[5])(C[5]C[5]C)(OSi){2|C<3>,2|C<4>,2|H<1>}	115.3600	0.000	2	115.3600	0.000	2	115.3600	0.000	2	115.3600	0.000	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:4:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5,6]-3:C[5]-3:C-4:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]C)(CH3)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(CH3)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(CH3)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]C)(CH3){2|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(CH3)(H){1|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(CH3){1|C<3>,1|H<1>,3|C<4>}	111.5790	0.000	1	111.5790	0.000	1	111.5790	0.000	1	109.6870	1.218	27	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:4:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(CH3){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)(H){1|C<4>,1|O<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH){1|H<1>,2|C<3>,2|C<4>}	111.3960	0.028	2	111.3960	0.001	2	111.3960	0.001	2	109.6870	1.218	27	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:4:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:Si-4:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]C)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SiC[5]CC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	C[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]C)(CH3){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SiC[5]CC)(H){2|C<3>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	110.9620	0.642	3	110.9620	0.412	3	110.9620	0.412	3	109.6870	1.218	27	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:4:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[5]2C)	C[5](C[5]C[5]C)2(CH3)(H)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[5]2C){2|C<4>}	C[5](C[5]C[5]C)2(CH3)(H){2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|H<1>,2|C<4>}	109.0060	0.000	1	109.0060	0.000	1	109.3160	0.366	5	109.6870	1.218	27	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:4:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]C[5]P)(CH3)(H)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3){1|C<4>,1|P<4>}	C[5](C[5]C[5]C)(C[5]C[5]P)(CH3)(H){2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|C<4>,1|H<1>,1|P<4>}	110.2680	0.000	1	110.2680	0.000	1	109.3160	0.366	5	109.6870	1.218	27	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:4:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CC[5]2C)(H)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(CC[5]2C)(H){2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|H<1>,2|C<4>}	108.8980	0.276	2	108.8980	0.076	2	109.3160	0.366	5	109.6870	1.218	27	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:4:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3)(H)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(CH3)(H){2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|H<1>,2|C<4>}	109.5100	0.000	1	109.5100	0.000	1	109.3160	0.366	5	109.6870	1.218	27	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:4:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:Si-4:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]SiH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(SiCCN)(H)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]SiH)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(SiCCN)(H){2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|Si<4>,1|C<4>,1|H<1>}	108.9020	0.008	2	108.9020	0.000	2	108.9474	0.017	10	109.6870	1.218	27	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:4:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:Si-4:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]SiH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(SiSiCC)(H)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]SiH)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(SiSiCC)(H){2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|Si<4>,1|C<4>,1|H<1>}	108.9587	0.144	8	108.9587	0.021	8	108.9474	0.017	10	109.6870	1.218	27	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:4:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]CH)(C[5]N[5]C)(CCHH)	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3)(H)	C[5](C[5]C[5]C)(N[5]N[5]C)(CC[6a]HH)	C[5](C[5]N[5]CH)(C[5]N[5]C)(CCHH){2|C<3>}	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3)(H){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)(N[5]N[5]C)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	109.8880	0.000	1	109.8880	0.000	1	109.8880	0.000	1	109.6870	1.218	27	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:4:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]CH)(C[5]C[5]C)(CH3)	C[5](N[5]N[5a]C[5])(C[5]C[5]C)(CH3)(H)	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C[5](C[5]N[5]CH)(C[5]C[5]C)(CH3){1|C<4>,1|N<3>}	C[5](N[5]N[5a]C[5])(C[5]C[5]C)(CH3)(H){2|C<3>,2|C<4>}	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3){1|C<4>,1|H<1>,1|N<3>}	109.6310	0.000	1	109.6310	0.000	1	109.6310	0.000	1	109.6870	1.218	27	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:4:1:	3:3:4:	C[5]-4:C[5]-3:C[6]-4:	C[5]-3:C[5]-3:C[6]-4:Cl-1:	C[5]-3:C[5]-3:C[6]-4:	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)	C[5](C[5]C[5]C[6])2(C[6]C[6]2H)	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>}	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>}	C[5](C[5]C[5]C[6])2(C[6]C[6]2H){1|Cl<1>,1|C<3>,6|H<1>,7|C<4>}	108.3380	0.000	1	108.3380	0.000	1	108.3380	0.000	1	109.6870	1.218	27	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:4:1:	3:3:4:	C[5]-4:C[5]-3:C[6]-4:	C[5]-3:C[5]-3:C[6]-4:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[5](C[5]C[5]C[6]H)(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)(H)	C[5](C[5]C[5]C[6])2(C[6]C[6]2H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]C[6])(C[6]C[6]2H){1|C<3>,6|H<1>,7|C<4>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H)(H){2|C<3>,5|H<1>,6|C<4>}	C[5](C[5]C[5]C[6])2(C[6]C[6]2H){1|C<3>,7|C<4>,7|H<1>}	109.1520	0.000	1	109.1520	0.000	1	109.1520	0.000	1	109.6870	1.218	27	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:4:1:	3:3:4:	C[5]-4:C[5]-3:P-4:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(PC[6a]2N)	C[5](C[5]C[5]C)(C[5]C[5]P)(CH3)(H)	C[5](C[5]C[5]C)(C[5]C[5]P)(CH3)	C[5](C[5]C[5]CH)(C[5]C[5]C)(PC[6a]2N){2|C<4>}	C[5](C[5]C[5]C)(C[5]C[5]P)(CH3)(H){2|C<4>}	C[5](C[5]C[5]C)(C[5]C[5]P)(CH3){1|H<1>,2|C<4>}	109.0480	0.000	1	109.0480	0.000	1	109.0480	0.000	1	109.6870	1.218	27	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:4:1:	3:3:4:	C[5]-4:C[5]-3:S-4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(SC[6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(CH3)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(SC[6a]OO){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(CH3){1|C<4>,2|C<3>,2|H<1>}	112.1820	0.000	1	112.1820	0.000	1	112.1820	0.000	1	109.6870	1.218	27	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:4:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5,6]-3:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(CH3)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(CH3){1|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(CH3)(H){1|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(H){2|C<3>,2|C<4>,2|H<1>}	111.8388	0.293	4	111.8388	0.086	4	111.8388	0.086	4	111.8388	0.086	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:4:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)(H){1|C<3>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>,1|O<1>}	113.4600	0.000	1	113.4600	0.000	1	113.4600	0.000	1	113.4600	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:4:2:	3:3:2:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:O-2:	C[5]-3:C[5]-3:O-2:	C[5](C[5]N[5]CO)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]C)(N[5]C[5]H)(CCHH)(OH)	C[5](C[5]C[5]C)(C[5]N[5]O)(OS)	C[5](C[5]N[5]CO)(C[5]C[5]O)(CH3){1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(N[5]C[5]H)(CCHH)(OH){1|O<1>,1|O<2>}	C[5](C[5]C[5]C)(C[5]N[5]O)(OS){1|C<4>,1|H<1>,1|O<2>}	108.0070	0.000	1	108.0070	0.000	1	108.0070	0.000	1	108.0070	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:4:2:	3:3:4:	C[5]-4:C[5]-3:C[6]-4:	C[5]-3:C[5]-3:C[6]-4:O-2:	C[5]-3:C[5]-3:C[6]-4:	C[5](C[5]C[5]C[6]O)(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)(OC)	C[5](C[5]C[5]C[6])2(C[6]C[6]2H)	C[5](C[5]C[5]C[6]O)(C[5]C[5]C[6])(C[6]C[6]2H){1|C<3>,6|H<1>,7|C<4>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H)(OC){2|C<3>,5|H<1>,6|C<4>}	C[5](C[5]C[5]C[6])2(C[6]C[6]2H){1|C<3>,1|O<2>,6|H<1>,7|C<4>}	109.3570	0.000	1	109.3570	0.000	1	109.3570	0.000	1	109.3570	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:4:3:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:C-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3)(CCH)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(CH3)(CCH){2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|C<3>,2|C<4>}	109.3195	0.267	2	109.3195	0.071	2	109.7283	0.246	4	108.9386	1.491	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:4:3:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:C-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3)(CNO)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(CH3)(CNO){2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|C<3>,2|C<4>}	110.1370	0.011	2	110.1370	0.000	2	109.7283	0.246	4	108.9386	1.491	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:4:3:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:P-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]CP)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3)(PIP)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]CP)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(CH3)(PIP){2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|P<3>,2|C<4>}	108.1490	1.252	4	108.1490	1.569	4	108.1490	1.569	4	108.9386	1.491	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:4:4:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]H)(CCCH)	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HO)(CH3)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(CCCH){1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HO)(CH3){2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|O<1>,2|C<4>}	110.7360	0.000	1	110.7360	0.000	1	110.7360	0.000	1	110.7360	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:4:4:	3:3:2:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[5]CC)(C[5]C[5]O)(CCCH)	C[5](C[5]C[5]C)2(CCHH)(CH3)	C[5](C[5]C[5]C)(C[5]C[5]O)(OH)	C[5](C[5]C[5]CC)(C[5]C[5]O)(CCCH){1|C<3>,1|O<1>}	C[5](C[5]C[5]C)2(CCHH)(CH3){1|O<1>,1|O<2>}	C[5](C[5]C[5]C)(C[5]C[5]O)(OH){1|C<3>,2|C<4>}	111.5480	0.000	1	111.5480	0.000	1	111.5480	0.000	1	111.5480	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:4:4:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CSmOO)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(CSmOO)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(CH3){3|C<4>}	108.8050	0.057	2	108.8050	0.003	2	108.8050	0.003	2	108.7658	1.083	26	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:4:4:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:Ga-4:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(GaCl2Rh)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(GaCl2Rh)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|Ga<4>,2|C<4>}	108.3060	0.781	2	108.3060	0.609	2	108.2787	1.232	6	108.7658	1.083	26	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:4:4:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:Ga-4:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(GaRu3)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(GaRu3)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|Ga<4>,2|C<4>}	108.2650	1.360	4	108.2650	1.850	4	108.2787	1.232	6	108.7658	1.083	26	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:4:4:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:Ga-4:Si-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]GaSi)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(GaCl3)(SiCCN)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]GaSi)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(GaCl3)(SiCCN){2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|Ga<4>,1|Si<4>,1|C<4>}	109.3770	0.951	4	109.3770	0.905	4	109.3770	0.905	4	108.7658	1.083	26	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:4:4:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:In-4:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]InC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(InCl2Rh)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]InC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(InCl2Rh)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|In<4>,2|C<4>}	107.9040	1.649	4	107.9040	2.719	4	107.9040	2.719	4	108.7658	1.083	26	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:4:4:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:In-4:Si-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]InSi)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(InBr3)(SiCCN)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]InSi)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(InBr3)(SiCCN){2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|In<4>,1|Si<4>,1|C<4>}	109.4860	0.656	4	109.4860	0.430	4	109.4860	0.430	4	108.7658	1.083	26	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:4:4:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:P-4:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]CP)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(PCOW)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]CP)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(PCOW)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|P<4>,2|C<4>}	109.0805	0.325	4	109.0805	0.106	4	108.9270	0.123	6	108.7658	1.083	26	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:4:4:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:P-4:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]CP)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(PHOW)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]CP)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(PHOW)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|P<4>,2|C<4>}	108.6200	0.119	2	108.6200	0.014	2	108.9270	0.123	6	108.7658	1.083	26	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:4:4:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]H)(CCCH)	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HO)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(CCCH){1|O<1>,2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HO)(CH3){3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){1|O<1>,2|C<4>}	110.6460	0.000	1	110.6460	0.000	1	110.6460	0.000	1	110.6460	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:4:4:	4:3:2:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:C[5]-3:S-2:	C[5](C[5]N[5]CC)(C[5]C[5]S)(CHHO)	C[5](C[5]C[5]C)(N[5]C[5]O)(CH3)2	C[5](C[5]N[5]CC)(C[5]C[5]C)(SC)	C[5](C[5]N[5]CC)(C[5]C[5]S)(CHHO){1|O<1>,2|C<4>}	C[5](C[5]C[5]C)(N[5]C[5]O)(CH3)2{1|S<2>,2|C<4>}	C[5](C[5]N[5]CC)(C[5]C[5]C)(SC){1|O<1>,2|C<4>}	111.8780	0.000	1	111.8780	0.000	1	111.8780	0.000	1	111.8780	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:3:4:4:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)(CH3)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)(CH3){1|C<3>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH){1|O<1>,2|C<4>}	112.8360	0.000	1	112.8360	0.000	1	112.8360	0.000	1	112.8360	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:4:3:1:	3:2:4:	C[5]-4:C[5]-3:S-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:C-4:	C[5](C[5]C[6a]C[5]H)(C[5]O[5]C)(SC[6a]OO)	C[5](C[6a]C[6a]2)(C[5]O[5]HN)(C[5]C[5]S)(H)	C[5](C[5]C[5]S)(O[5]C[5])(CH3)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]C)(SC[6a]OO){1|H<1>,1|N<3>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]HN)(C[5]C[5]S)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]S)(O[5]C[5])(CH3){1|C<3>,1|N<3>,2|H<1>}	110.9870	0.000	1	110.9870	0.000	1	110.9870	0.000	1	110.9870	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:4:3:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]H)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]H)(CH3){1|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[5]C)(H){1|H<1>,2|C<4>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,2|C<3>,2|C<4>}	109.8285	0.021	2	109.8285	0.000	2	109.8285	0.000	2	111.3078	7.413	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:4:3:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:Si[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]Si[5]H)(C[5]C[5,6a]H)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]2C)(C[5]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5](C[5]C[5,6a]Si[5]H)(C[5]C[5,6a]H)(CH3){1|C<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]2C)(C[5]C[5]C)(H){2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|Si<4>,2|C<3>,2|H<1>}	109.5750	0.000	1	109.5750	0.000	1	109.5750	0.000	1	111.3078	7.413	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:4:3:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]H)(CH3)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]H)(CH3){1|S<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]C)(H){1|S<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H){1|C<3>,3|H<1>}	111.2800	0.000	1	111.2800	0.000	1	111.2800	0.000	1	111.3078	7.413	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:4:3:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:S[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]S[5]H)(C[5]C[5]H)(CH3)	C[5](C[6a]C[6a]2)(S[5]C[5]OO)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]S[5]C)(H)	C[5](C[5]C[6a]S[5]H)(C[5]C[5]H)(CH3){2|O<1>,3|C<3>}	C[5](C[6a]C[6a]2)(S[5]C[5]OO)(C[5]C[5]C)(H){3|C<3>,3|H<1>}	C[5](C[5]C[5]C)(C[5]S[5]C)(H){1|C<3>,1|H<1>,2|O<1>}	116.0270	0.000	1	116.0270	0.000	1	116.0270	0.000	1	111.3078	7.413	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:4:3:1:	3:3:2:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(OC)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3){1|C<4>,1|O<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(OC){1|C<4>,1|H<1>,2|C<3>}	111.0770	0.000	1	111.0770	0.000	1	110.7470	0.106	3	110.7470	0.106	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:4:3:1:	3:3:2:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(OC)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3){1|O<1>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(OC){1|C<3>,3|H<1>}	110.5820	0.219	2	110.5820	0.048	2	110.7470	0.106	3	110.7470	0.106	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:4:3:1:	3:3:3:	C[5]-4:C[5]-3:S-4:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a])(SC[6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]C[5]S)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]S)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a])(SC[6a]OO){1|H<1>,2|C<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]C[5]S)(H){2|C<4>,3|C<3>,5|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]S){1|C<4>,4|C<3>,4|H<1>}	112.6220	0.000	1	112.6220	0.000	1	112.6220	0.000	1	112.4550	0.047	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:4:3:1:	3:3:3:	C[5]-4:C[5]-3:S-4:	C[5,6a]-3:C[6]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]C[6a])(SC[6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]C[5]S)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]S)	C[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]C[6a])(SC[6a]OO){1|H<1>,2|C<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]C[5]S)(H){2|C<4>,3|C<3>,5|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]S){1|C<4>,4|C<3>,4|H<1>}	112.3715	0.228	2	112.3715	0.052	2	112.3715	0.052	2	112.4550	0.047	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:4:3:1:	3:3:4:	C[5]-4:C[5]-3:C[6]-4:	C[5]-3:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[5](C[5]C[5]C[6]H)(C[5]C[5]C[6])(C[6]C[6]2H)	C[5](C[5]C[5]C[6])(C[6]C[6]2H)(C[5]C[5]C)(H)	C[5](C[5]C[5]C[6])2(C[6]C[6]2H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]C[6])(C[6]C[6]2H){6|H<1>,8|C<4>}	C[5](C[5]C[5]C[6])(C[6]C[6]2H)(C[5]C[5]C)(H){5|H<1>,6|C<4>}	C[5](C[5]C[5]C[6])2(C[6]C[6]2H){7|H<1>,8|C<4>}	109.1185	0.030	2	109.1185	0.001	2	109.1185	0.001	2	109.1185	0.001	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:4:3:1:	3:4:3:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[6]-4:C[5]-3:H-1:	C[5]-3:C[6]-4:C[5]-3:	C[5](C[5]C[5]C[6]H)(C[5]C[5]C[6])(CC3)	C[5](C[5]C[5]C[6])(C[6]C[6]2H)(C[5]C[5]C)(H)	C[5](C[5]C[5]C[6])(C[6]C[6]2H)(C[5]C[5]C)	C[5](C[5]C[5]C[6]H)(C[5]C[5]C[6])(CC3){2|H<1>,6|C<4>}	C[5](C[5]C[5]C[6])(C[6]C[6]2H)(C[5]C[5]C)(H){5|H<1>,6|C<4>}	C[5](C[5]C[5]C[6])(C[6]C[6]2H)(C[5]C[5]C){6|C<4>,6|H<1>}	108.1210	0.008	2	108.1210	0.000	2	108.1210	0.000	2	108.1210	0.000	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:4:3:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(CH3)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]C)(H)	C[5](C[5]C[5]CO)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(CH3){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]C)(H){1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]C)(H){1|C<3>,1|N<3>,2|H<1>}	111.7830	0.000	1	111.7830	0.000	1	111.7830	0.000	1	111.7830	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:4:3:1:	4:4:3:	C[5]-4:C[5]-3:C-4:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[6]-4:C[5]-3:	C[5](C[5]C[5a]C[5]H)(C[5]C[5]C[6])(CH3)	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]HO)(C[6]C[6]2C)(C[5]C[5]C)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]C[6])(CH3){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(C[6]C[6]2C)(C[5]C[5]C){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	111.4235	0.088	2	111.4235	0.008	2	111.4235	0.008	2	111.4235	0.008	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:4:3:2:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]C[5]O)(C[5]C[5]H)(CH3)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)(OH)	C[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)(OH){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	112.1060	0.000	1	112.1060	0.000	1	112.1060	0.000	1	112.1060	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	3:4:3:4:	3:3:3:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]N[5])(CH3)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]C[5]O)(N[5]C[5]2)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]N[5])(CH3){1|O<1>,3|C<3>,3|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)(CH3){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(N[5]C[5]2){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	111.1110	0.000	1	111.1110	0.000	1	111.1110	0.000	1	111.1110	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHH){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(H){4|H<1>}	111.9290	0.000	1	111.9290	0.000	1	111.6447	0.126	3	112.4232	2.509	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[5]HH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[5]HH){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(H){4|H<1>}	111.2460	0.000	1	111.2460	0.000	1	111.6447	0.126	3	112.4232	2.509	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CHHN)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CHHN){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]C)2(H){4|H<1>}	111.7590	0.000	1	111.7590	0.000	1	111.6447	0.126	3	112.4232	2.509	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	P[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]P[5]HH)(C[5]C[5]H)(CH3)	C[5](P[5]C[6a]C[5]C)(C[5]C[5]C)(H)2	C[5](C[5]C[5]C)(C[5]P[5]B)(H)	C[5](C[5]P[5]HH)(C[5]C[5]H)(CH3){1|B<3>,1|C<2>,1|C<3>}	C[5](P[5]C[6a]C[5]C)(C[5]C[5]C)(H)2{1|B<3>,1|H<1>,2|C<3>}	C[5](C[5]C[5]C)(C[5]P[5]B)(H){1|C<2>,1|C<3>,2|H<1>}	114.7590	0.000	1	114.7590	0.000	1	114.7590	0.000	1	112.4232	2.509	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	3:3:2:	C[5]-4:C[5]-3:C-4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[5]-3:O-2:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CH3)	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5]C)(H)2	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]C)(OC)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5]C)(H)2{1|H<1>,1|N<2>,2|O<2>,3|C<3>}	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]C)(OC){1|C<4>,2|C<3>,2|H<1>}	109.6840	0.018	2	109.6840	0.000	2	109.6840	0.000	2	110.8566	2.176	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	3:3:2:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[5]CH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]C)2(OC[5,5])	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[5]CH){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<3>,1|O<2>}	C[5](C[5]C[5]C)2(OC[5,5]){4|H<1>}	109.4130	0.000	1	109.4130	0.000	1	110.6980	0.627	5	110.8566	2.176	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	3:3:2:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(OH)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|O<1>,1|O<2>}	C[5](C[5]C[5]C)(C[5]C[5]O)(OH){4|H<1>}	111.2290	0.470	2	111.2290	0.220	2	110.6980	0.627	5	110.8566	2.176	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	3:3:2:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(OH)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|O<1>,1|O<2>}	C[5](C[5]C[5]C)(C[5]C[5]O)(OH){4|H<1>}	110.9630	0.000	1	110.9630	0.000	1	110.6980	0.627	5	110.8566	2.176	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	3:3:2:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]C)2(OSi)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<3>,1|O<2>}	C[5](C[5]C[5]C)2(OSi){4|H<1>}	110.6560	0.000	1	110.6560	0.000	1	110.6980	0.627	5	110.8566	2.176	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	3:3:2:	C[5]-4:C[5]-3:S-4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[5,5]HH)(C[5]C[5]O)(SC[6a]OO)	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]S)(H)2	C[5](C[5]C[5,5]O)(C[5]C[5]S)(OH)	C[5](C[5]C[5,5]HH)(C[5]C[5]O)(SC[6a]OO){1|O<1>,2|C<3>}	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]S)(H)2{1|O<1>,1|O<2>,4|C<3>}	C[5](C[5]C[5,5]O)(C[5]C[5]S)(OH){2|C<3>,2|H<1>}	113.9950	0.000	1	113.9950	0.000	1	113.9950	0.000	1	110.8566	2.176	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	3:3:3:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5]HH)(C[5]C[5]2)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[5]HH)(C[5]C[5]2)(CH3){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){1|C<4>,1|N<3>,7|H<1>}	112.2340	0.000	1	112.2340	0.000	1	112.2340	0.000	1	112.2340	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(CH3)	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5]C)(H)2	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]C)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(CH3){1|C<3>,1|C<4>,1|N<2>}	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]C)(CH3){1|C<4>,2|C<3>,2|H<1>}	111.5620	0.000	1	111.5620	0.000	1	111.5620	0.000	1	112.4180	0.428	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HH){4|H<1>}	112.4280	0.000	1	112.4280	0.000	1	112.7033	0.154	3	112.4180	0.428	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HO)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HO){4|H<1>}	112.5300	0.000	1	112.5300	0.000	1	112.7033	0.154	3	112.4180	0.428	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]C)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(CCCH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3){1|C<3>,1|O<1>,1|O<2>}	C[5](C[5]C[6a]C[5]O)(C[5]C[5]C)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]O)(CCCH){1|C<3>,1|O<2>,2|H<1>}	113.1520	0.000	1	113.1520	0.000	1	112.7033	0.154	3	112.4180	0.428	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[3,5,6]-4:C[5]-3:H-1:H-1:	C[3,5]-4:C[5]-3:H-1:	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5]H)(CHHO)	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5]C)(H)2	C[5](C[3,5]C[3,5,6]C[3,6]C)(C[5]C[5]C)(H)	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5]H)(CHHO){3|C<4>}	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5]C)(H)2{3|H<1>,4|C<4>}	C[5](C[3,5]C[3,5,6]C[3,6]C)(C[5]C[5]C)(H){2|C<4>,3|H<1>}	111.6520	0.000	1	111.6520	0.000	1	111.6520	0.000	1	110.9165	2.341	27	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5,6,6]-4:C[5]-3:Cl-1:H-1:	C[5,6,6]-4:C[5]-3:H-1:	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)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]C)(H)	C[5](C[5]C[5,6,6]ClH)(C[5]C[5,6,6]H)(CH3){2|C<4>,2|H<1>}	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>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]C)(H){1|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	110.3640	0.000	1	110.3640	0.000	1	110.3640	0.000	1	110.9165	2.341	27	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6,6]HH)(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)(H)2	C[5](C[5,6,6]C[5,6,6]C[3x6]C)(C[5]C[5]C)(H)	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6,6]H)(CH3){1|H<1>,3|C<4>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]C)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6,6]C[5,6,6]C[3x6]C)(C[5]C[5]C)(H){1|C<3>,3|C<4>,3|H<1>}	111.3280	0.280	2	111.3280	0.078	2	111.3280	0.078	2	110.9165	2.341	27	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(CH3)	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]C)(H)2	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]C)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(CH3){1|Cr<9>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]C)(H)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]C)(H){2|C<4>,3|H<1>}	111.4220	0.064	3	111.4220	0.004	3	110.1273	3.104	9	110.9165	2.341	27	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(CH3)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]C)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(CH3){1|C<3>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]C)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(H){1|O<2>,3|C<4>,3|H<1>}	109.4800	1.859	6	109.4800	3.457	6	110.1273	3.104	9	110.9165	2.341	27	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHO)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHO){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){4|H<1>}	111.7580	0.000	1	111.7580	0.000	1	111.3566	0.410	7	110.9165	2.341	27	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[5a]HN)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[5a]HN){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){4|H<1>}	110.7780	0.000	1	110.7780	0.000	1	111.3566	0.410	7	110.9165	2.341	27	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]CH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]CH){2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|H<1>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(H){4|H<1>}	111.3110	0.000	1	111.3110	0.000	1	111.3566	0.410	7	110.9165	2.341	27	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HO)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HO)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HO){1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]C[5]C)(H){4|H<1>}	112.1460	0.000	1	112.1460	0.000	1	111.3566	0.410	7	110.9165	2.341	27	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCo2C)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCo2C){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]C)(H){1|O<2>,2|C<3>,4|H<1>}	111.9730	0.000	1	111.9730	0.000	1	111.3566	0.410	7	110.9165	2.341	27	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]2C)(C[5]C[5]C)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CH3){1|H<1>,3|C<4>}	C[5](C[5]C[5]2C)(C[5]C[5]C)(H)2{1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(H){2|C<4>,2|H<1>}	111.1250	0.000	1	111.1250	0.000	1	111.3566	0.410	7	110.9165	2.341	27	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]2C)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CH3){1|H<1>,3|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2{1|H<1>,2|C<4>}	C[5](C[5]C[5]2C)(C[5]C[5]C)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	110.4050	0.000	1	110.4050	0.000	1	111.3566	0.410	7	110.9165	2.341	27	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-4:C[5]-3:H-1:H-1:	B[5]-4:C[5]-3:H-1:	C[5](C[5]N[5]HH)(C[5]B[5]H)(CC[6a]HH)	C[5](N[5]B[5]CC)(C[5]C[5]C)(H)2	C[5](B[5]N[5]HH)(C[5]C[5]C)(H)	C[5](C[5]N[5]HH)(C[5]B[5]H)(CC[6a]HH){2|C<4>,2|H<1>}	C[5](N[5]B[5]CC)(C[5]C[5]C)(H)2{3|H<1>}	C[5](B[5]N[5]HH)(C[5]C[5]C)(H){2|C<4>,2|H<1>}	111.6830	0.000	1	111.6830	0.000	1	111.6830	0.000	1	110.9165	2.341	27	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	P[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]P[5]HH)(C[5]C[5]H)(CH3)	C[5](P[5]C[6a]2C[5])(C[5]C[5]C)(H)2	C[5](C[5]P[5]BH)(C[5]C[5]C)(H)	C[5](C[5]P[5]HH)(C[5]C[5]H)(CH3){1|B<4>,1|H<1>,2|C<3>}	C[5](P[5]C[6a]2C[5])(C[5]C[5]C)(H)2{1|B<4>,2|H<1>,4|C<3>}	C[5](C[5]P[5]BH)(C[5]C[5]C)(H){2|C<3>,2|H<1>}	114.6020	0.000	1	114.6020	0.000	1	114.6020	0.000	1	110.9165	2.341	27	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:O-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(OLi3)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(OLi3){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H){4|H<1>}	109.8967	0.098	4	109.8967	0.010	4	109.8967	0.010	4	110.9165	2.341	27	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:S-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(SCOO)	C[5](C[5]C[5]CS)(C[5]C[5]S)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]S)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(SCOO){1|C<4>,1|S<4>,2|H<1>}	C[5](C[5]C[5]CS)(C[5]C[5]S)(H)2{3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]S)(H){1|C<4>,1|S<4>,2|H<1>}	113.5600	0.000	1	113.5600	0.000	1	113.5600	0.000	1	110.9165	2.341	27	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	4:3:2:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-2:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]HH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CN)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]HH){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CN){4|H<1>}	110.2540	0.000	1	110.2540	0.000	1	110.2540	0.000	1	110.1407	0.338	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	4:3:2:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:O-2:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]C)(OSi)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]2H)(C[5]C[5]C)(OSi){1|C<3>,2|C<4>,4|H<1>}	110.6570	0.000	1	110.6570	0.000	1	110.6570	0.000	1	110.1407	0.338	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	4:3:2:	C[5]-4:C[5]-3:P-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:N-2:	C[5](C[5]C[5]HH)(C[5]C[5]N)(PRuCC)	C[5](C[5]C[5]HH)(C[5]C[5]P)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]P)(NC[6a])	C[5](C[5]C[5]HH)(C[5]C[5]N)(PRuCC){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]P)(H)2{1|N<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]P)(NC[6a]){4|H<1>}	109.5110	0.000	1	109.5110	0.000	1	109.5110	0.000	1	110.1407	0.338	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5,5]HH)(C[5]C[5]C)(CH3)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(H)2	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]C)(CHO)	C[5](C[5]C[5,5]HH)(C[5]C[5]C)(CH3){1|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]C)(CHO){2|H<1>,4|C<3>}	110.8970	0.000	1	110.8970	0.000	1	111.3093	0.137	3	110.6288	0.722	34	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5,5]HH)(C[5]C[5]C)(CH3)	C[5](C[5,5]C[5]3)(C[5]C[5]C)(H)2	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]C)(COO)	C[5](C[5]C[5,5]HH)(C[5]C[5]C)(CH3){1|H<1>,3|C<3>}	C[5](C[5,5]C[5]3)(C[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]C)(COO){2|H<1>,4|C<3>}	111.5155	0.138	2	111.5155	0.019	2	111.3093	0.137	3	110.6288	0.722	34	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HH)	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HH){2|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH){2|C<3>,2|H<1>}	112.3150	0.000	1	112.3150	0.000	1	111.6630	0.850	2	110.6288	0.722	34	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]C)(CHO)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(CHO){4|H<1>}	111.0110	0.000	1	111.0110	0.000	1	111.6630	0.850	2	110.6288	0.722	34	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5]C[5]HH)(C[5]C[5]2)(CC[5]HH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[5]HH)(C[5]C[5]2)(CC[5]HH){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(C[5]C[5]O){1|C<3>,1|C<4>,5|H<1>}	111.6720	0.000	1	111.6720	0.000	1	111.9925	0.205	2	110.6288	0.722	34	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5]C[5]HH)(C[5]C[5]2)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[5]HH)(C[5]C[5]2)(CH3){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(C[5]C[5]O){1|C<3>,2|C<4>,5|H<1>}	112.3130	0.000	1	112.3130	0.000	1	111.9925	0.205	2	110.6288	0.722	34	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:P-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(PPdCC)	C[5](C[5]C[5]HH)(C[5]C[5]P)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]P)(CHN)	C[5](C[5]C[5]HH)(C[5]C[5]C)(PPdCC){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]P)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]P)(CHN){4|H<1>}	109.7630	0.000	1	109.7630	0.000	1	109.7630	0.000	1	110.6288	0.722	34	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:P-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:N-3:	C[5](C[5]C[5]HH)(C[5]C[5]N)(PCCN)	C[5](C[5]C[5]HH)(C[5]C[5]P)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]P)(NCH)	C[5](C[5]C[5]HH)(C[5]C[5]N)(PCCN){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]P)(H)2{1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]P)(NCH){4|H<1>}	110.4810	0.000	1	110.4810	0.000	1	110.3991	0.525	26	110.6288	0.722	34	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:P-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:N-3:	C[5](C[5]C[5]HH)(C[5]C[5]N)(PCCN)	C[5](C[5]C[5]HH)(C[5]C[5]P)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]P)(NC[6a]Co)	C[5](C[5]C[5]HH)(C[5]C[5]N)(PCCN){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]P)(H)2{1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]P)(NC[6a]Co){4|H<1>}	109.2735	0.497	2	109.2735	0.247	2	110.3991	0.525	26	110.6288	0.722	34	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:P-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:N-3:	C[5](C[5]C[5]HH)(C[5]C[5]N)(PCCN)	C[5](C[5]C[5]HH)(C[5]C[5]P)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]P)(NC[6a]Fe)	C[5](C[5]C[5]HH)(C[5]C[5]N)(PCCN){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]P)(H)2{1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]P)(NC[6a]Fe){4|H<1>}	110.0473	0.677	7	110.0473	0.459	7	110.3991	0.525	26	110.6288	0.722	34	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:P-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:N-3:	C[5](C[5]C[5]HH)(C[5]C[5]N)(PCCN)	C[5](C[5]C[5]HH)(C[5]C[5]P)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]P)(NC[6a]H)	C[5](C[5]C[5]HH)(C[5]C[5]N)(PCCN){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]P)(H)2{1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]P)(NC[6a]H){4|H<1>}	110.1360	0.060	3	110.1360	0.004	3	110.3991	0.525	26	110.6288	0.722	34	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:P-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:N-3:	C[5](C[5]C[5]HH)(C[5]C[5]N)(PCCN)	C[5](C[5]C[5]HH)(C[5]C[5]P)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]P)(NCoC)	C[5](C[5]C[5]HH)(C[5]C[5]N)(PCCN){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]P)(H)2{1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]P)(NCoC){4|H<1>}	110.5706	0.835	5	110.5706	0.697	5	110.3991	0.525	26	110.6288	0.722	34	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:P-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:N-3:	C[5](C[5]C[5]HH)(C[5]C[5]N)(PRuCC)	C[5](C[5]C[5]HH)(C[5]C[5]P)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]P)(NC[6a]Ru)	C[5](C[5]C[5]HH)(C[5]C[5]N)(PRuCC){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]P)(H)2{1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]P)(NC[6a]Ru){4|H<1>}	110.9695	0.372	8	110.9695	0.139	8	110.3991	0.525	26	110.6288	0.722	34	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(CCCH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]C)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]C)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(CCCH){2|C<4>,2|O<2>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]C)(H)2{1|O<2>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]C)(CH3){2|C<4>,2|O<2>,3|H<1>}	112.5580	0.000	1	112.5580	0.000	1	111.5860	0.463	4	115.1940	9.922	51	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(CH3)	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]C)(H)2	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(CH3){1|Cr<9>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]C)(H)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]C)(CCHH){2|C<4>,3|H<1>}	111.2620	0.254	3	111.2620	0.064	3	111.5860	0.463	4	115.1940	9.922	51	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<3>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH){4|H<1>}	112.1740	0.000	1	111.4758	0.161	5	111.7577	0.382	12	115.1940	9.922	51	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH){2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{3|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH){4|H<1>}	111.3012	0.107	4	111.4758	0.161	5	111.7577	0.382	12	115.1940	9.922	51	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)	C[5](C[5]C[5]HO)(C[5]C[5]C)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]C[5]C)(H)2{1|C<3>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH){1|O<2>,3|H<1>}	110.7480	0.000	1	110.7480	0.000	1	111.7577	0.382	12	115.1940	9.922	51	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5a]HH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH){2|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5a]HH){2|C<3>,2|H<1>}	112.9040	0.000	1	112.9040	0.000	1	111.7577	0.382	12	115.1940	9.922	51	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5a]HH)	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5a]HH){2|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH){2|C<3>,2|H<1>}	112.3180	0.000	1	112.3180	0.000	1	111.7577	0.382	12	115.1940	9.922	51	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3){1|H<1>,3|C<3>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3){2|C<3>,2|H<1>}	111.7305	0.470	2	111.7305	0.221	2	111.7577	0.382	12	115.1940	9.922	51	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]TiN)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3){1|Ti<10>,1|N<3>,2|H<1>}	C[5](C[5]C[5]TiN)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3){1|Ti<10>,1|N<3>,2|H<1>}	112.1410	0.016	2	112.1410	0.000	2	111.7577	0.382	12	115.1940	9.922	51	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	Ge[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]Ge[5]HH)(C[5]C[5]C)(CH3)	C[5](Ge[5]C[5]2Cl)(C[5]C[5]C)(H)2	C[5](C[5]Ge[5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]Ge[5]HH)(C[5]C[5]C)(CH3){1|Cl<1>,1|C<3>,2|H<1>}	C[5](Ge[5]C[5]2Cl)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>,2|N<3>}	C[5](C[5]Ge[5]HH)(C[5]C[5]C)(CH3){1|Cl<1>,1|C<3>,2|H<1>}	121.0230	0.363	2	121.0230	0.132	2	119.8662	0.929	6	115.1940	9.922	51	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	Ge[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]Ge[5]HH)(C[5]C[5]C)(CH3)	C[5](Ge[5]C[5]CN)(C[5]C[5]C)(H)2	C[5](C[5]Ge[5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]Ge[5]HH)(C[5]C[5]C)(CH3){1|C<4>,1|N<3>,2|H<1>}	C[5](Ge[5]C[5]CN)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>}	C[5](C[5]Ge[5]HH)(C[5]C[5]C)(CH3){1|C<4>,1|N<3>,2|H<1>}	119.6305	0.173	2	119.6305	0.030	2	119.8662	0.929	6	115.1940	9.922	51	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	Ge[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]Ge[5]HH)(C[5]C[5]C)(CH3)	C[5](Ge[5]C[6a]C[5]2)(C[5]C[5]C)(H)2	C[5](C[5]Ge[5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]Ge[5]HH)(C[5]C[5]C)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[5](Ge[5]C[6a]C[5]2)(C[5]C[5]C)(H)2{1|Fe<10>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5]Ge[5]HH)(C[5]C[5]C)(CH3){1|C<3>,1|C<4>,2|H<1>}	118.9450	0.023	2	118.9450	0.001	2	119.8662	0.929	6	115.1940	9.922	51	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	P[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]P[5,6]HH)(C[5]C[5]C)(CH3)	C[5](P[5,6]C[5]C[6]N[6])(C[5]C[5]C)(H)2	C[5](C[5]P[5,6]HH)(C[5]C[5]C)(CH3)	C[5](C[5]P[5,6]HH)(C[5]C[5]C)(CH3){1|C<4>,1|N<3>,2|H<1>}	C[5](P[5,6]C[5]C[6]N[6])(C[5]C[5]C)(H)2{1|Si<4>,1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]P[5,6]HH)(C[5]C[5]C)(CH3){1|C<4>,1|N<3>,2|H<1>}	116.8850	0.340	6	116.8850	0.116	6	116.8850	0.116	6	115.1940	9.922	51	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	P[5]-4:C[5]-3:Br-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]P[5]BrH)(C[5]C[5]C)(CH3)	C[5](P[5]C[6a]C[5]O)(C[5]C[5]C)(Br)(H)	C[5](C[5]P[5]BrH)(C[5]C[5]C)(CH3)	C[5](C[5]P[5]BrH)(C[5]C[5]C)(CH3){1|Br<1>,1|C<3>,1|H<1>,1|O<1>}	C[5](P[5]C[6a]C[5]O)(C[5]C[5]C)(Br)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]P[5]BrH)(C[5]C[5]C)(CH3){1|Br<1>,1|C<3>,1|H<1>,1|O<1>}	115.8390	0.873	2	115.8390	0.761	2	115.8390	0.761	2	115.1940	9.922	51	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	P[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]P[5]HH)(C[5]C[5]C)(CH3)	C[5](P[5]C[5]ClN)(C[5]C[5]C)(H)2	C[5](C[5]P[5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]P[5]HH)(C[5]C[5]C)(CH3){1|Cl<1>,1|N<3>,2|H<1>}	C[5](P[5]C[5]ClN)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>}	C[5](C[5]P[5]HH)(C[5]C[5]C)(CH3){1|Cl<1>,1|N<3>,2|H<1>}	116.6905	0.378	2	116.6905	0.143	2	116.5761	0.231	7	115.1940	9.922	51	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	P[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]P[5]HH)(C[5]C[5]C)(CH3)	C[5](P[5]C[5]NN)(C[5]C[5]C)(H)2	C[5](C[5]P[5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]P[5]HH)(C[5]C[5]C)(CH3){1|N<2>,1|N<3>,2|H<1>}	C[5](P[5]C[5]NN)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>}	C[5](C[5]P[5]HH)(C[5]C[5]C)(CH3){1|N<2>,1|N<3>,2|H<1>}	116.3503	0.431	4	116.3503	0.185	4	116.5761	0.231	7	115.1940	9.922	51	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	P[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]P[5]HH)(C[5]C[5]C)(CH3)	C[5](P[5]C[6a]C[5]Cl)(C[5]C[5]C)(H)2	C[5](C[5]P[5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]P[5]HH)(C[5]C[5]C)(CH3){1|Cl<1>,1|C<3>,2|H<1>}	C[5](P[5]C[6a]C[5]Cl)(C[5]C[5]C)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]P[5]HH)(C[5]C[5]C)(CH3){1|Cl<1>,1|C<3>,2|H<1>}	117.2510	0.000	1	117.2510	0.000	1	116.5761	0.231	7	115.1940	9.922	51	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	S[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]S[5]HH)(C[5]C[5]C)(CBrHH)	C[5](S[5]C[5]OO)(C[5]C[5]C)(H)2	C[5](C[5]S[5]HH)(C[5]C[5]C)(CBrHH)	C[5](C[5]S[5]HH)(C[5]C[5]C)(CBrHH){2|H<1>,2|O<1>}	C[5](S[5]C[5]OO)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>}	C[5](C[5]S[5]HH)(C[5]C[5]C)(CBrHH){2|H<1>,2|O<1>}	115.0473	0.194	4	115.0473	0.038	4	115.3467	0.243	6	115.1940	9.922	51	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	S[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]S[5]HH)(C[5]C[5]C)(CCHH)	C[5](S[5]C[5]OO)(C[5]C[5]C)(H)2	C[5](C[5]S[5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]S[5]HH)(C[5]C[5]C)(CCHH){2|H<1>,2|O<1>}	C[5](S[5]C[5]OO)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>}	C[5](C[5]S[5]HH)(C[5]C[5]C)(CH3){2|H<1>,2|O<1>}	115.8280	0.000	1	115.8280	0.000	1	115.3467	0.243	6	115.1940	9.922	51	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	S[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]S[5]HH)(C[5]C[5]C)(CH3)	C[5](S[5]C[5]OO)(C[5]C[5]C)(H)2	C[5](C[5]S[5]HH)(C[5]C[5]C)(CCHH)	C[5](C[5]S[5]HH)(C[5]C[5]C)(CH3){2|H<1>,2|O<1>}	C[5](S[5]C[5]OO)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>}	C[5](C[5]S[5]HH)(C[5]C[5]C)(CCHH){2|H<1>,2|O<1>}	116.0630	0.000	1	116.0630	0.000	1	115.3467	0.243	6	115.1940	9.922	51	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	Si[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]Si[5,6]HH)(C[5]C[5]C)(CH3)	C[5](Si[5,6]C[5]N[6]2)(C[5]C[5]C)(H)2	C[5](C[5]Si[5,6]HH)(C[5]C[5]C)(CH3)	C[5](C[5]Si[5,6]HH)(C[5]C[5]C)(CH3){2|H<1>,2|N<3>}	C[5](Si[5,6]C[5]N[6]2)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]Si[5,6]HH)(C[5]C[5]C)(CH3){2|H<1>,2|N<3>}	117.9990	0.144	2	117.9990	0.021	2	117.9990	0.021	2	115.1940	9.922	51	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	Si[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]Si[5]HH)(C[5]C[5]C)(CH3)	C[5](Si[5]C[5]NN)(C[5]C[5]C)(H)2	C[5](C[5]Si[5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]Si[5]HH)(C[5]C[5]C)(CH3){2|H<1>,2|N<3>}	C[5](Si[5]C[5]NN)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>}	C[5](C[5]Si[5]HH)(C[5]C[5]C)(CH3){2|H<1>,2|N<3>}	117.9490	0.020	2	117.9490	0.000	2	118.2125	0.167	4	115.1940	9.922	51	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	Si[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]Si[5]HH)(C[5]C[5]C)(CH3)	C[5](Si[5]C[5]SiN)(C[5]C[5]C)(H)2	C[5](C[5]Si[5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]Si[5]HH)(C[5]C[5]C)(CH3){1|Si<4>,1|N<3>,2|H<1>}	C[5](Si[5]C[5]SiN)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>}	C[5](C[5]Si[5]HH)(C[5]C[5]C)(CH3){1|Si<4>,1|N<3>,2|H<1>}	118.4760	0.472	2	118.4760	0.223	2	118.2125	0.167	4	115.1940	9.922	51	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	4:3:4:	C[5]-4:C[5]-3:Si-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(SiC3)	C[5](C[5]C[5]HH)(C[5]C[5]Si)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]Si)(CC[6a]HH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(SiC3){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]Si)(H)2{1|H<1>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]Si)(CC[6a]HH){4|H<1>}	109.1550	0.085	2	109.1550	0.007	2	109.1550	0.007	2	115.1940	9.922	51	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	4:4:3:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(C[5]C[5]2)(CB[5]CH)	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]C)	C[5](C[5]C[5]HH)(C[5]C[5]2)(CB[5]CH){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]C){2|C<4>,3|C<3>,4|H<1>}	111.5580	0.210	3	111.5580	0.044	3	111.3375	0.134	6	111.3375	0.134	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	4:4:3:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(C[5]C[5]2)(CC[5]HH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5,5]N[5]H)(C[5]C[5]HO)(C[5]C[5]C)	C[5](C[5]C[5]HH)(C[5]C[5]2)(CC[5]HH){1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5,5]N[5]H)(C[5]C[5]HO)(C[5]C[5]C){1|C<3>,1|C<4>,2|N<3>,5|H<1>}	110.7510	0.000	1	110.7510	0.000	1	111.3375	0.134	6	111.3375	0.134	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	4:4:3:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(C[5]C[5]2)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]C)	C[5](C[5]C[5]HH)(C[5]C[5]2)(CH3){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]C){1|C<3>,2|C<4>,5|H<1>}	111.3000	0.297	2	111.3000	0.088	2	111.3375	0.134	6	111.3375	0.134	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:2:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]O[5]H)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]N[5]H)(C[5]C[5]C)(O[5]C[5])(H)	C[5](C[5]C[5]C)(C[5]O[5]O)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]C)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5]C)(C[5]O[5]O)(H){1|C<4>,1|H<1>}	108.6080	0.000	1	108.6080	0.000	1	108.6080	0.000	1	108.6840	0.012	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:2:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(CH3)	C[5](C[6]C[6,6a]C[6]H)(C[5]C[5]C)(O[5]C[5])(H)	C[5](C[5]C[5]C)(C[5]O[5]O)(H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(CH3){1|H<1>,1|O<1>,2|C<3>}	C[5](C[6]C[6,6a]C[6]H)(C[5]C[5]C)(O[5]C[5])(H){1|C<2>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[5]C)(C[5]O[5]O)(H){1|C<4>,1|H<1>}	108.7600	0.000	1	108.7600	0.000	1	108.7600	0.000	1	108.6840	0.012	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:2:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5,5]HO)(C[5]C[5]C)(CH3)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(OH)(H)	C[5](C[5]C[5,5]O)(C[5]C[5]C)(CH3)	C[5](C[5]C[5,5]HO)(C[5]C[5]C)(CH3){1|C<3>,1|O<1>,1|O<2>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(OH)(H){1|C<4>,2|C<3>,2|O<1>}	C[5](C[5]C[5,5]O)(C[5]C[5]C)(CH3){1|C<3>,1|H<1>,2|O<2>}	111.8920	0.000	1	111.8920	0.000	1	111.8920	0.000	1	111.8920	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:2:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]HO)(C[5]C[5]H)(CH3)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(OC)(H)	C[5](C[5]C[5,5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[5,5]HO)(C[5]C[5]H)(CH3){1|C<3>,1|O<2>,2|C<4>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(OC)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]CC)(C[5]C[5]C)(H){1|C<4>,1|H<1>,2|O<2>}	111.5000	0.000	1	111.5000	0.000	1	111.5000	0.000	1	110.8475	0.296	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:2:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HO)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]CO)(C[5]C[5]C)(OH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[5]HO)(C[5]C[5]H)(CH3){1|C<3>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CO)(C[5]C[5]C)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(H){1|C<4>,1|H<1>,2|O<2>}	110.8605	0.032	2	110.8605	0.001	2	110.6300	0.160	3	110.8475	0.296	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:2:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HO)(C[5]C[5]H)(CHHO)	C[5](C[5]C[5]HO)(C[5]C[5]C)(OC)(H)	C[5](C[5]C[5]HO)(C[5]C[5]C)(H)	C[5](C[5]C[5]HO)(C[5]C[5]H)(CHHO){2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(C[5]C[5]C)(OC)(H){1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]C[5]C)(H){2|H<1>,2|O<2>}	110.1690	0.000	1	110.1690	0.000	1	110.6300	0.160	3	110.8475	0.296	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:2:1:	4:3:2:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-2:	C[5](C[5]C[5]HO)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(OC)(H)	C[5](C[5]C[5]CO)(C[5]C[5]C)(CC)	C[5](C[5]C[5]HO)(C[5]C[5]C)(CH3){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(OC)(H){1|C<2>,1|C<3>,1|O<2>}	C[5](C[5]C[5]CO)(C[5]C[5]C)(CC){1|O<2>,3|H<1>}	110.7950	0.000	1	110.7950	0.000	1	110.7950	0.000	1	110.7950	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:2:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5](C[5]C[5,5]HO)(C[5]C[5,5]C)(CCCH)	C[5](C[5,5]C[5,5]C[5,6]O)(C[5]C[5]C)(OC)(H)	C[5](C[5,5]C[5,6,6]C[5,5]O)(C[5]C[5]C)(CH3)	C[5](C[5]C[5,5]HO)(C[5]C[5,5]C)(CCCH){2|C<4>,2|O<2>}	C[5](C[5,5]C[5,5]C[5,6]O)(C[5]C[5]C)(OC)(H){1|O<2>,5|C<4>}	C[5](C[5,5]C[5,6,6]C[5,5]O)(C[5]C[5]C)(CH3){1|H<1>,3|C<4>,3|O<2>}	112.7770	0.000	1	112.7770	0.000	1	112.4153	0.120	3	111.8188	1.381	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:2:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5](C[5]C[5,5]HO)(C[5]C[5,5]C)(CH3)	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]C)(OH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(CC[5]HH)	C[5](C[5]C[5,5]HO)(C[5]C[5,5]C)(CH3){1|C<4>,1|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]C)(OH)(H){1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(CC[5]HH){2|C<4>,2|H<1>,3|O<2>}	112.2345	0.207	2	112.2345	0.043	2	112.4153	0.120	3	111.8188	1.381	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:2:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HO)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(OH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHO)	C[5](C[5]C[5]HO)(C[5]C[5]C)(CH3){2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(OH)(H){3|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHO){1|O<2>,3|H<1>}	112.0680	0.000	1	112.0680	0.000	1	112.0680	0.000	1	111.8188	1.381	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:2:1:	4:3:4:	C[5]-4:C[5]-3:Si-4:	C[5,5,6]-4:C[5]-3:O-2:H-1:	C[5,5,6]-4:C[5]-3:C-4:	C[5](C[5]C[5,5,6]HO)(C[5]C[5,5,6]C)(SiC3)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]Si)(OH)(H)	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5]Si)(CH3)	C[5](C[5]C[5,5,6]HO)(C[5]C[5,5,6]C)(SiC3){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]Si)(OH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5]Si)(CH3){1|C<3>,1|H<1>,2|C<4>,3|O<2>}	109.7800	0.000	1	109.7800	0.000	1	109.7800	0.000	1	111.8188	1.381	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:2:2:	4:3:3:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-2:C-2:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CN)2	C[5](C[5]C[6a]C[5]O)(C[5]C[5]C)(COO)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CN)2{1|O<2>,2|C<3>}	C[5](C[5]C[6a]C[5]O)(C[5]C[5]C)(COO){2|C<2>,2|C<3>,2|H<1>}	109.4150	0.000	1	109.4150	0.000	1	109.4150	0.000	1	109.4150	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:2:4:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:O[5]-2:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]O[5]C)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]N[5]H)(C[5]C[5]C)(O[5]C[5])(CH3)	C[5](C[5]C[5]C)(C[5]O[5]O)(H)	C[5](C[5]C[5]O[5]C)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]C)(O[5]C[5])(CH3){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5]C)(C[5]O[5]O)(H){2|C<4>}	109.2220	0.000	1	109.2220	0.000	1	109.2220	0.000	1	109.2220	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:3:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]2H)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)2(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]2H)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)2(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(H){1|C<3>,1|C<4>,1|H<1>}	111.3795	0.097	2	111.2730	0.039	3	111.5204	0.138	5	111.5204	0.138	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:3:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]2H)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)2(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]2H)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)2(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(H){1|C<3>,1|C<4>,1|H<1>}	111.0600	0.000	1	111.2730	0.039	3	111.5204	0.138	5	111.5204	0.138	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:3:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]2H)(C[5]C[5]H)(CHHO)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)2(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]2H)(C[5]C[5]H)(CHHO){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)2(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(H){1|C<3>,1|C<4>,1|H<1>}	111.8915	0.127	2	111.8915	0.016	2	111.5204	0.138	5	111.5204	0.138	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:3:1:	3:3:2:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CSiHH)	C[5](C[5]C[5]N[6]C)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(OC[6])	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CSiHH){1|C<4>,1|N<4>,1|O<1>,2|C<3>}	C[5](C[5]C[5]N[6]C)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(OC[6]){1|C<3>,1|C<4>,1|H<1>,1|N<4>}	111.7190	0.000	1	111.7190	0.000	1	111.7190	0.000	1	111.7190	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:3:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	Si[4]-4:C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]Si[4]C[5]H)(C[5]C[5]C)(CH3)	C[5](Si[4]N[4]2Ir)(C[5]C[5]C)2(H)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]Si[4]C[5]H)(C[5]C[5]C)(CH3){1|Ir<6>,2|C<4>,2|N<3>}	C[5](Si[4]N[4]2Ir)(C[5]C[5]C)2(H){1|C<3>,4|C<4>}	C[5](C[5]C[5]C)2(CH3){1|Si<4>,1|C<4>,1|H<1>}	108.7330	0.553	2	108.7330	0.306	2	108.7330	0.306	2	108.7330	0.306	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:3:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CC[6a]O)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CH3){2|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(CC[6a]O)(H){3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){1|H<1>,3|C<3>}	109.5830	0.000	1	109.5830	0.000	1	109.5830	0.000	1	111.1630	4.993	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:3:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:N-3:H-1:	S[5]-4:C[5]-3:Br-1:	C[5](C[5]C[5]HN)(C[5]S[5]Br)(CH3)	C[5](C[5]S[5]HH)(C[5]C[5]C)(NOO)(H)	C[5](S[5]C[5]OO)(C[5]C[5]C)(Br)	C[5](C[5]C[5]HN)(C[5]S[5]Br)(CH3){2|H<1>,2|O<1>}	C[5](C[5]S[5]HH)(C[5]C[5]C)(NOO)(H){1|Br<1>,2|O<1>}	C[5](S[5]C[5]OO)(C[5]C[5]C)(Br){1|N<3>,3|H<1>}	112.7430	0.000	1	112.7430	0.000	1	112.7430	0.000	1	111.1630	4.993	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:3:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CClC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3){2|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(CClC)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3){1|H<1>,3|C<3>}	111.9530	0.894	2	111.9530	0.799	2	111.9530	0.799	2	111.3193	1.604	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:3:1:	4:3:4:	C[5]-4:C[5]-3:Si-4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:Si-4:	C[5](C[5]C[5]CH)(C[5]C[5]Si)(SiC3)	C[5](C[5]C[5]HH)(C[5]C[5]Si)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]Si)(SiC3)	C[5](C[5]C[5]CH)(C[5]C[5]Si)(SiC3){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]Si)(CCH)(H){1|Si<4>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]Si)(SiC3){1|C<3>,3|H<1>}	110.0520	0.000	1	110.0520	0.000	1	110.0520	0.000	1	111.3193	1.604	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:3:2:	4:3:1:	C[5]-4:C[5]-3:P-4:	C[5,5]-4:C[5]-3:C-3:O-2:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5,5]CO)(C[5]C[5]O)(PC[6a]3)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]P)(COO)(OC)	C[5](C[5]C[5,5]CC)(C[5]C[5]P)(O)	C[5](C[5]C[5,5]CO)(C[5]C[5]O)(PC[6a]3){2|C<2>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]P)(COO)(OC){1|N<3>,2|C<2>,2|C<3>,2|O<1>}	C[5](C[5]C[5,5]CC)(C[5]C[5]P)(O){1|O<2>,3|C<3>}	110.5600	0.000	1	110.5600	0.000	1	110.5600	0.000	1	110.5600	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:3:2:	4:3:3:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-3:C-2:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(COO)(CN)	C[5](C[5]C[5]CO)(C[5]C[5]C)(CC[6a]O)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(COO)(CN){1|C<3>,1|C<4>,1|O<2>}	C[5](C[5]C[5]CO)(C[5]C[5]C)(CC[6a]O){1|C<2>,1|C<3>,2|H<1>}	110.4760	0.000	1	110.4760	0.000	1	110.4760	0.000	1	110.4760	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:3:3:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-3:C-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]H)(CC[6a]CH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(COO)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(CC[6a]CH){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(COO)2{3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){2|C<3>,2|H<1>}	110.2070	0.000	1	110.2070	0.000	1	110.1585	0.005	2	110.1585	0.005	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:3:3:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-3:C-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCN)(COO)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(CH3){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCN)(COO){3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){2|C<3>,2|H<1>}	110.1100	0.000	1	110.1100	0.000	1	110.1585	0.005	2	110.1585	0.005	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:3:4:	3:3:1:	C[5]-4:C[5]-3:C-4:	Ga-4:C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]GaC)(C[5]C[5]H)(CC3)	C[5](GaO[5]Cl2)(C[5]C[5]C)(C[5]C[5]H)(CC3)	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]GaC)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C[5](GaO[5]Cl2)(C[5]C[5]C)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)2(H){1|Ga<4>,1|C<4>,1|H<1>}	107.2030	0.182	2	107.2030	0.033	2	107.2030	0.033	2	106.9733	0.051	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:3:4:	3:3:1:	C[5]-4:C[5]-3:C-4:	Ga[4]-4:C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]H)(CC3)	C[5](Ga[4]Cl[4]2Cl)(C[5]C[5]C)(C[5]C[5]H)(CC3)	C[5](C[5]C[5]C)2(H)	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]H)(CC3){1|Cl<1>,2|Cl<2>,1|C<4>,1|H<1>}	C[5](Ga[4]Cl[4]2Cl)(C[5]C[5]C)(C[5]C[5]H)(CC3){1|Ga<4>,1|C<4>,1|H<1>}	C[5](C[5]C[5]C)2(H){1|Ga<4>,1|C<4>,1|H<1>}	106.8390	0.158	2	106.8390	0.025	2	106.8585	0.021	4	106.9733	0.051	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:3:4:	3:3:1:	C[5]-4:C[5]-3:C-4:	Ga[4]-4:C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]H)(CC3)	C[5](Ga[4]I[4]2I)(C[5]C[5]C)(C[5]C[5]H)(CC3)	C[5](C[5]C[5]C)2(H)	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>,1|I<1>,2|I<2>}	C[5](Ga[4]I[4]2I)(C[5]C[5]C)(C[5]C[5]H)(CC3){1|Ga<4>,1|C<4>,1|H<1>}	C[5](C[5]C[5]C)2(H){1|Ga<4>,1|C<4>,1|H<1>}	106.8780	0.190	2	106.8780	0.036	2	106.8585	0.021	4	106.9733	0.051	6	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:3:4:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]HO)(C[5]C[5]C)(CC[5]H)(CH3)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCCH)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH){1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]C[5]C)(CC[5]H)(CH3){1|C<4>,1|O<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(CCCH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	112.4425	1.464	2	112.4425	2.145	2	112.4425	2.145	2	109.0289	0.600	88	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:3:4:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]2C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]2C)(C[5]C[5]C)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]2C)(C[5]C[5]C)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5]2C)(C[5]C[5]C)(C[5]C[5]H)(CH3){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]C[5]C)2(CH3){1|H<1>,2|C<4>}	109.7190	0.000	2	109.7190	0.000	2	109.7190	0.000	2	109.0289	0.600	88	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:3:4:	3:3:4:	C[5]-4:C[5]-3:C-4:	Ga-4:C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3)	C[5](GaC[6a]Cl2)(C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](GaC[6a]Cl2)(C[5]C[5]C)2(CH3){2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|Ga<4>,2|C<4>}	107.7685	0.831	2	107.7685	0.690	2	107.7685	0.690	2	109.0289	0.600	88	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:3:4:	3:3:4:	C[5]-4:C[5]-3:C-4:	Ga[3,3]-4:C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]Ga[3,3]C[5]C)(C[5]C[5]C)(CH3)	C[5](Ga[3,3]Ga[3,3]N[3]2)(C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]Ga[3,3]C[5]C)(C[5]C[5]C)(CH3){1|Ga<4>,2|C<4>,2|N<3>}	C[5](Ga[3,3]Ga[3,3]N[3]2)(C[5]C[5]C)2(CH3){2|C<3>,3|C<4>}	C[5](C[5]C[5]C)2(CH3){1|Ga<4>,2|C<4>}	108.3820	0.501	2	108.3820	0.251	2	108.3820	0.251	2	109.0289	0.600	88	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:3:4:	3:3:4:	C[5]-4:C[5]-3:C-4:	Ga[4]-4:C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(CH3)	C[5](Ga[4]C[6a]Cl[4]2)(C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(CH3){2|Cl<2>,1|C<3>,2|C<4>}	C[5](Ga[4]C[6a]Cl[4]2)(C[5]C[5]C)2(CH3){1|Ga<4>,2|C<3>,2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|Ga<4>,2|C<4>}	107.8342	0.737	4	107.8342	0.544	4	108.5896	0.468	13	109.0289	0.600	88	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:3:4:	3:3:4:	C[5]-4:C[5]-3:C-4:	Ga[4]-4:C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(CH3)	C[5](Ga[4]Cl[4]2C[5])(C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(CH3){2|Cl<2>,3|C<4>}	C[5](Ga[4]Cl[4]2C[5])(C[5]C[5]C)2(CH3){1|Ga<4>,2|C<3>,3|C<4>}	C[5](C[5]C[5]C)2(CH3){1|Ga<4>,2|C<4>}	108.9989	0.287	7	108.9989	0.083	7	108.5896	0.468	13	109.0289	0.600	88	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:3:4:	3:3:4:	C[5]-4:C[5]-3:C-4:	Ga[4]-4:C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(CH3)	C[5](Ga[4]N[4]2N)(C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(CH3){2|C<4>,3|N<3>}	C[5](Ga[4]N[4]2N)(C[5]C[5]C)2(CH3){1|Ga<4>,2|C<4>,2|N<2>}	C[5](C[5]C[5]C)2(CH3){1|Ga<4>,2|C<4>}	108.6680	0.167	2	108.6680	0.028	2	108.5896	0.468	13	109.0289	0.600	88	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:3:4:	3:3:4:	C[5]-4:C[5]-3:C-4:	Ga[6]-4:C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]Ga[6]C[5]C)(C[5]C[5]C)(CH3)	C[5](Ga[6]As[4]N[6]2)(C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]Ga[6]C[5]C)(C[5]C[5]C)(CH3){1|As<3>,2|C<4>,2|N<3>}	C[5](Ga[6]As[4]N[6]2)(C[5]C[5]C)2(CH3){2|As<2>,2|C<4>,4|C<3>}	C[5](C[5]C[5]C)2(CH3){1|Ga<4>,2|C<4>}	108.9005	0.179	2	108.9005	0.032	2	108.9005	0.032	2	109.0289	0.600	88	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:3:4:	3:3:4:	C[5]-4:C[5]-3:C-4:	P-4:C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]CP)(C[5]C[5]C)(CH3)	C[5](PAs[5,6]HW)(C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]CP)(C[5]C[5]C)(CH3){2|C<4>}	C[5](PAs[5,6]HW)(C[5]C[5]C)2(CH3){2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|P<4>,2|C<4>}	108.2775	0.349	2	108.2775	0.122	2	108.2775	0.122	2	109.0289	0.600	88	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:3:4:	3:3:4:	C[5]-4:C[5]-3:C-4:	P[3]-4:C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3)	C[5](P[3]C[3,4]O[3]Cr)(C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3){1|Cr<6>,1|O<2>,3|C<4>}	C[5](P[3]C[3,4]O[3]Cr)(C[5]C[5]C)2(CH3){4|C<4>}	C[5](C[5]C[5]C)2(CH3){1|P<4>,2|C<4>}	109.0140	0.085	2	109.0140	0.007	2	108.9895	0.197	34	109.0289	0.600	88	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:3:4:	3:3:4:	C[5]-4:C[5]-3:C-4:	P[3]-4:C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3)	C[5](P[3]C[3,4]O[3]Mo)(C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3){1|Mo<6>,1|O<2>,3|C<4>}	C[5](P[3]C[3,4]O[3]Mo)(C[5]C[5]C)2(CH3){4|C<4>}	C[5](C[5]C[5]C)2(CH3){1|P<4>,2|C<4>}	109.1235	0.245	2	109.1235	0.060	2	108.9895	0.197	34	109.0289	0.600	88	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:3:4:	3:3:4:	C[5]-4:C[5]-3:C-4:	P[3]-4:C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3)	C[5](P[3]C[3,4]O[3]W)(C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3){1|O<2>,1|W<6>,3|C<4>}	C[5](P[3]C[3,4]O[3]W)(C[5]C[5]C)2(CH3){4|C<4>}	C[5](C[5]C[5]C)2(CH3){1|P<4>,2|C<4>}	108.5575	0.583	2	108.5575	0.340	2	108.9895	0.197	34	109.0289	0.600	88	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:3:4:	3:3:4:	C[5]-4:C[5]-3:C-4:	P[3]-4:C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3)	C[5](P[3]C[3,5]O[3]W)(C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3){1|O<2>,1|W<6>,3|C<4>}	C[5](P[3]C[3,5]O[3]W)(C[5]C[5]C)2(CH3){4|C<4>}	C[5](C[5]C[5]C)2(CH3){1|P<4>,2|C<4>}	109.2970	0.397	4	109.2970	0.158	4	108.9895	0.197	34	109.0289	0.600	88	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:3:4:	3:3:4:	C[5]-4:C[5]-3:C-4:	P[3]-4:C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3)	C[5](P[3]C[3,6]O[3]W)(C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3){1|O<2>,1|W<6>,3|C<4>}	C[5](P[3]C[3,6]O[3]W)(C[5]C[5]C)2(CH3){4|C<4>}	C[5](C[5]C[5]C)2(CH3){1|P<4>,2|C<4>}	109.3267	0.258	6	109.3267	0.066	6	108.9895	0.197	34	109.0289	0.600	88	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:3:4:	3:3:4:	C[5]-4:C[5]-3:C-4:	P[3]-4:C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3)	C[5](P[3]C[3]N[3]W)(C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3){1|C<3>,1|N<3>,1|W<6>,2|C<4>}	C[5](P[3]C[3]N[3]W)(C[5]C[5]C)2(CH3){1|N<2>,3|C<4>}	C[5](C[5]C[5]C)2(CH3){1|P<4>,2|C<4>}	108.6650	0.409	2	108.6650	0.167	2	108.9895	0.197	34	109.0289	0.600	88	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:3:4:	3:3:4:	C[5]-4:C[5]-3:C-4:	P[3]-4:C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3)	C[5](P[3]C[3]O[3]Cr)(C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3){1|Cr<6>,1|O<2>,3|C<4>}	C[5](P[3]C[3]O[3]Cr)(C[5]C[5]C)2(CH3){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|P<4>,2|C<4>}	108.6910	0.390	2	109.1375	0.219	8	108.9895	0.197	34	109.0289	0.600	88	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:3:4:	3:3:4:	C[5]-4:C[5]-3:C-4:	P[3]-4:C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3)	C[5](P[3]C[3]O[3]Cr)(C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3){1|Cr<6>,1|O<2>,3|C<4>}	C[5](P[3]C[3]O[3]Cr)(C[5]C[5]C)2(CH3){1|H<1>,3|C<4>}	C[5](C[5]C[5]C)2(CH3){1|P<4>,2|C<4>}	109.2863	0.412	6	109.1375	0.219	8	108.9895	0.197	34	109.0289	0.600	88	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:3:4:	3:3:4:	C[5]-4:C[5]-3:C-4:	P[3]-4:C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3)	C[5](P[3]C[3]O[3]Mo)(C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3){1|Mo<6>,1|O<2>,3|C<4>}	C[5](P[3]C[3]O[3]Mo)(C[5]C[5]C)2(CH3){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|P<4>,2|C<4>}	108.4785	0.011	2	108.5532	0.031	6	108.9895	0.197	34	109.0289	0.600	88	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:3:4:	3:3:4:	C[5]-4:C[5]-3:C-4:	P[3]-4:C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3)	C[5](P[3]C[3]O[3]Mo)(C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3){1|Mo<6>,1|O<2>,3|C<4>}	C[5](P[3]C[3]O[3]Mo)(C[5]C[5]C)2(CH3){1|H<1>,3|C<4>}	C[5](C[5]C[5]C)2(CH3){1|P<4>,2|C<4>}	108.5905	0.214	4	108.5532	0.031	6	108.9895	0.197	34	109.0289	0.600	88	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:3:4:	3:3:4:	C[5]-4:C[5]-3:C-4:	P[3]-4:C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3)	C[5](P[3]C[3]O[3]W)(C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3){1|O<2>,1|W<6>,3|C<4>}	C[5](P[3]C[3]O[3]W)(C[5]C[5]C)2(CH3){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|P<4>,2|C<4>}	108.6785	0.507	2	108.6785	0.257	2	108.9895	0.197	34	109.0289	0.600	88	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:3:4:	3:3:4:	C[5]-4:C[5]-3:C-4:	P[4,6]-4:C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]P[4,6]C[5]C)(C[5]C[5]C)(CH3)	C[5](P[4,6]C[4,5,6]P[3,4,6]W)(C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]P[4,6]C[5]C)(C[5]C[5]C)(CH3){1|P<4>,1|W<6>,3|C<4>}	C[5](P[4,6]C[4,5,6]P[3,4,6]W)(C[5]C[5]C)2(CH3){1|C<3>,1|W<6>,5|C<4>}	C[5](C[5]C[5]C)2(CH3){1|P<4>,2|C<4>}	108.9590	0.165	2	108.9590	0.027	2	108.9590	0.027	2	109.0289	0.600	88	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:3:4:	3:3:4:	C[5]-4:C[5]-3:C-4:	P[4]-4:C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]P[4]C)(C[5]C[5]C)(CH3)	C[5](P[4]C[4]O[4]W)(C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]P[4]C)(C[5]C[5]C)(CH3){1|O<2>,1|W<6>,3|C<4>}	C[5](P[4]C[4]O[4]W)(C[5]C[5]C)2(CH3){2|H<1>,3|C<4>}	C[5](C[5]C[5]C)2(CH3){1|P<4>,2|C<4>}	108.7680	0.266	2	108.7680	0.071	2	108.7680	0.071	2	109.0289	0.600	88	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:3:4:	3:3:4:	C[5]-4:C[5]-3:C-4:	Si-4:C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]SiC)(C[5]C[5]C)(CH3)	C[5](SiC[5]Cl2)(C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]SiC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](SiC[5]Cl2)(C[5]C[5]C)2(CH3){2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|Si<4>,2|C<4>}	109.0180	0.332	2	109.0180	0.110	2	109.4277	0.182	10	109.0289	0.600	88	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:3:4:	3:3:4:	C[5]-4:C[5]-3:C-4:	Si-4:C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]SiC)(C[5]C[5]C)(CH3)	C[5](SiC[5]InC)(C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]SiC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](SiC[5]InC)(C[5]C[5]C)2(CH3){2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|Si<4>,2|C<4>}	109.5301	0.397	8	109.5301	0.158	8	109.4277	0.182	10	109.0289	0.600	88	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:3:4:	3:3:4:	C[5]-4:C[5]-3:C-4:	Si[3]-4:C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]Si[3]C[5]C)(C[5]C[5]C)(CH3)	C[5](Si[3]C[3]2Si)(C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]Si[3]C[5]C)(C[5]C[5]C)(CH3){1|Si<4>,4|C<4>}	C[5](Si[3]C[3]2Si)(C[5]C[5]C)2(CH3){2|C<4>,4|H<1>}	C[5](C[5]C[5]C)2(CH3){1|Si<4>,2|C<4>}	109.1310	0.000	1	109.1310	0.000	1	109.1310	0.000	1	109.0289	0.600	88	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:3:4:	3:3:4:	C[5]-4:C[5]-3:C-4:	Si[4]-4:C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3)	C[5](Si[4]N[4]2B)(C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3){1|B<4>,2|C<4>,2|N<3>}	C[5](Si[4]N[4]2B)(C[5]C[5]C)2(CH3){1|C<3>,4|C<4>}	C[5](C[5]C[5]C)2(CH3){1|Si<4>,2|C<4>}	109.2920	0.202	4	109.2920	0.041	4	109.0994	0.095	14	109.0289	0.600	88	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:3:4:	3:3:4:	C[5]-4:C[5]-3:C-4:	Si[4]-4:C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3)	C[5](Si[4]N[4]2S)(C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3){1|S<1>,2|C<4>,2|N<3>}	C[5](Si[4]N[4]2S)(C[5]C[5]C)2(CH3){1|C<3>,4|C<4>}	C[5](C[5]C[5]C)2(CH3){1|Si<4>,2|C<4>}	109.3430	0.264	2	109.3430	0.070	2	109.0994	0.095	14	109.0289	0.600	88	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:3:4:	3:3:4:	C[5]-4:C[5]-3:C-4:	Si[4]-4:C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3)	C[5](Si[4]N[4]2Se)(C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3){1|Se<1>,2|C<4>,2|N<3>}	C[5](Si[4]N[4]2Se)(C[5]C[5]C)2(CH3){1|C<3>,4|C<4>}	C[5](C[5]C[5]C)2(CH3){1|Si<4>,2|C<4>}	109.1500	0.168	2	109.1500	0.028	2	109.0994	0.095	14	109.0289	0.600	88	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:3:4:	3:3:4:	C[5]-4:C[5]-3:C-4:	Si[4]-4:C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3)	C[5](Si[4]N[4]2Te)(C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3){1|Te<1>,2|C<4>,2|N<3>}	C[5](Si[4]N[4]2Te)(C[5]C[5]C)2(CH3){1|C<3>,4|C<4>}	C[5](C[5]C[5]C)2(CH3){1|Si<4>,2|C<4>}	108.7862	0.274	4	108.7862	0.075	4	109.0994	0.095	14	109.0289	0.600	88	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:3:4:	3:3:4:	C[5]-4:C[5]-3:C-4:	Si[4]-4:C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3)	C[5](Si[4]N[4]2Zn)(C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3){1|Zn<4>,2|C<4>,2|N<3>}	C[5](Si[4]N[4]2Zn)(C[5]C[5]C)2(CH3){1|C<3>,4|C<4>}	C[5](C[5]C[5]C)2(CH3){1|Si<4>,2|C<4>}	109.0460	0.352	2	109.0460	0.124	2	109.0994	0.095	14	109.0289	0.600	88	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:3:4:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]H)(CCHH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6]O)(CH3)	C[5](C[5]C[5]HO)(C[5]C[5]C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(CCHH){1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6]O)(CH3){1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]C[5]C)(H){1|C<3>,1|C<4>,2|H<1>}	111.1230	0.000	1	111.1230	0.000	1	111.1230	0.000	1	111.1230	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:3:4:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]H)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]H)(CH3){1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH){1|C<3>,1|C<4>,2|H<1>}	110.4950	0.000	1	110.4950	0.000	1	111.2860	1.251	2	111.2860	1.251	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:3:4:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]HO)(C[5]C[5]C)(CC[5]H)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH){1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(C[5]C[5]C)(CC[5]H)(CH3){1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	112.0770	0.000	1	112.0770	0.000	1	111.2860	1.251	2	111.2860	1.251	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:4:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCCH)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCCH){1|O<1>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(H){1|H<1>,3|C<4>}	111.6440	0.407	3	111.6440	0.166	3	111.9848	0.217	6	111.5291	0.906	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:4:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]H)(CC[5]HH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CC[5]HH){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(H){1|C<4>,3|H<1>}	112.4250	0.000	1	112.4250	0.000	1	111.9848	0.217	6	111.5291	0.906	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:4:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[5]HH)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[5]HH)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(H){1|C<3>,1|C<4>,2|H<1>}	112.2760	0.206	2	112.2760	0.043	2	111.9848	0.217	6	111.5291	0.906	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:4:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]H)(CCHH)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)	C[5](C[5]C[5]CH)(C[5]N[5]H)(CCHH){1|S<4>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(H){1|H<1>,1|S<4>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H){1|C<4>,3|H<1>}	110.1620	0.520	2	110.1620	0.271	2	110.1620	0.271	2	111.5291	0.906	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:4:1:	3:3:2:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCCH)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(OH)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCCH){1|O<1>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(H){1|O<1>,1|O<2>}	C[5](C[5]C[5]C)(C[5]C[5]O)(OH){1|H<1>,3|C<4>}	111.0480	0.000	1	111.0480	0.000	1	110.9895	0.007	2	110.9895	0.007	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:4:1:	3:3:2:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCCH)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(OH)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCCH)(H){1|O<1>,1|O<2>}	C[5](C[5]C[5]C)(C[5]C[5]O)(OH){2|C<4>,2|H<1>}	110.9310	0.000	1	110.9310	0.000	1	110.9895	0.007	2	110.9895	0.007	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:4:1:	3:3:3:	C[5]-4:C[5]-3:Si-4:	C[5]-4:C[5]-3:S-4:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]HS)(C[5]C[5]C)(SiC3)	C[5](C[5]C[5]HH)(C[5]C[5]Si)(SC[6a]OO)(H)	C[5](C[5]C[5]Si)(C[5]C[5]O)(COO)	C[5](C[5]C[5]HS)(C[5]C[5]C)(SiC3){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]Si)(SC[6a]OO)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]Si)(C[5]C[5]O)(COO){1|S<4>,3|H<1>}	108.5570	0.000	1	108.5570	0.000	1	108.5570	0.000	1	108.5570	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:4:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3){1|C<4>,3|H<1>}	112.9055	0.269	2	112.9055	0.073	2	112.5672	0.825	5	112.5672	0.825	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:4:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3){1|C<3>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,2|H<1>}	113.7120	0.000	1	113.7120	0.000	1	112.5672	0.825	5	112.5672	0.825	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:4:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3)(H)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3){1|H<1>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3)(H){2|C<4>}	C[5](C[5]C[5]C)2(CH3){2|C<4>,2|H<1>}	111.6565	0.172	2	111.6565	0.030	2	112.5672	0.825	5	112.5672	0.825	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:4:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[5,5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]H)(CH3)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(CCHH)(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]H)(CH3){2|C<4>,2|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(CCHH)(H){3|C<4>,3|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(H){3|H<1>,4|C<4>}	111.6860	0.000	1	111.6860	0.000	1	111.6860	0.000	1	110.8303	1.192	11	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:4:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(CH3)	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]C)(CCHH)(H)	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]C)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(CH3){1|Cr<9>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]C)(CCHH)(H){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]C)(H){2|H<1>,3|C<4>}	111.4930	0.000	1	111.4930	0.000	1	111.4930	0.000	1	110.8303	1.192	11	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:4:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]H)(CC3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CC3){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(H){3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){1|C<4>,3|H<1>}	108.9920	0.088	2	108.9920	0.008	2	110.6616	1.311	9	110.8303	1.192	11	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:4:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCCO)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]HO)(C[5]C[5]C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCCO){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH)(H){1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]C[5]C)(H){2|C<4>,2|H<1>}	110.0610	0.000	1	110.0610	0.000	1	110.6616	1.311	9	110.8303	1.192	11	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:4:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCCO)	C[5](C[5]C[5]CO)(C[5]C[5]C)(CC[5]HH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCCO){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]C)(CC[5]HH)(H){3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){1|H<1>,1|O<2>,2|C<4>}	111.1480	0.000	1	111.1480	0.000	1	110.6616	1.311	9	110.8303	1.192	11	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:4:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCHH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]HO)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCHH){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]HO)(H){3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){1|C<4>,3|H<1>}	110.6595	0.104	2	110.6595	0.011	2	110.6616	1.311	9	110.8303	1.192	11	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:4:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CH3){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(H){3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){1|C<4>,3|H<1>}	111.3550	0.000	1	111.3550	0.000	1	110.6616	1.311	9	110.8303	1.192	11	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:4:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]H)(CHHN)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CHHN){2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHO)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(H){2|C<4>,2|H<1>}	112.0435	0.026	2	112.0435	0.001	2	110.6616	1.311	9	110.8303	1.192	11	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:4:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[5,5,6]-4:C[5]-3:C-4:	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]C)(CCHH)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(CCCH)(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(CH3)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]C)(CCHH){2|C<4>,2|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(CCCH)(H){1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(CH3){1|C<3>,2|H<1>,4|C<4>}	112.8577	0.371	3	112.8577	0.138	3	112.8577	0.138	3	111.8818	2.198	18	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:4:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(CH3)	C[5](C[5,5]C[5,5]C[5]Hf)(C[5]C[5]C)(CH3)(H)	C[5](C[5,5]C[5,5]C[5]Hf)(C[5]C[5]C)(CH3)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(CH3){1|Hf<9>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]Hf)(C[5]C[5]C)(CH3)(H){4|C<4>}	C[5](C[5,5]C[5,5]C[5]Hf)(C[5]C[5]C)(CH3){1|H<1>,4|C<4>}	111.8095	2.333	2	111.8095	5.442	2	112.6158	1.093	8	111.8818	2.198	18	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:4:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(CH3)	C[5](C[5,5]C[5,5]C[5]Ti)(C[5]C[5]C)(CH3)(H)	C[5](C[5,5]C[5,5]C[5]Ti)(C[5]C[5]C)(CH3)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(CH3){1|Ti<8>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]Ti)(C[5]C[5]C)(CH3)(H){4|C<4>}	C[5](C[5,5]C[5,5]C[5]Ti)(C[5]C[5]C)(CH3){1|H<1>,4|C<4>}	112.8230	0.000	1	112.8230	0.000	1	112.6158	1.093	8	111.8818	2.198	18	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:4:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(CH3)	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]C[5]C)(CH3)(H)	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]C[5]C)(CH3)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(CH3){1|Zr<9>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]C[5]C)(CH3)(H){4|C<4>}	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]C[5]C)(CH3){1|H<1>,4|C<4>}	113.0865	0.243	2	113.0865	0.059	2	112.6158	1.093	8	111.8818	2.198	18	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:4:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(CH3)	C[5](C[5,5]C[5,5]P[5]C)(C[5]C[5]C)(CH3)(H)	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(CH3){1|O<2>,1|P<4>,2|C<4>}	C[5](C[5,5]C[5,5]P[5]C)(C[5]C[5]C)(CH3)(H){1|Cl<1>,1|Cr<6>,1|O<2>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]C)(CH3){1|H<1>,1|P<4>,3|C<4>}	112.3640	0.000	1	112.7703	0.146	3	112.6158	1.093	8	111.8818	2.198	18	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:4:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(CH3)	C[5](C[5,5]C[5,5]P[5]C)(C[5]C[5]C)(CH3)(H)	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(CH3){1|O<2>,1|P<4>,2|C<4>}	C[5](C[5,5]C[5,5]P[5]C)(C[5]C[5]C)(CH3)(H){1|Cl<1>,1|Mo<6>,1|O<2>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]C)(CH3){1|H<1>,1|P<4>,3|C<4>}	112.8250	0.000	1	112.7703	0.146	3	112.6158	1.093	8	111.8818	2.198	18	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:4:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(CH3)	C[5](C[5,5]C[5,5]P[5]C)(C[5]C[5]C)(CH3)(H)	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(CH3){1|O<2>,1|P<4>,2|C<4>}	C[5](C[5,5]C[5,5]P[5]C)(C[5]C[5]C)(CH3)(H){1|F<1>,1|O<2>,1|W<6>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]C)(CH3){1|H<1>,1|P<4>,3|C<4>}	113.1220	0.000	1	112.7703	0.146	3	112.6158	1.093	8	111.8818	2.198	18	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:4:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:Si-4:	C[5](C[5]C[5]CH)(C[5]C[5]Si)(CC[6a]HH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHN)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(SiC3)	C[5](C[5]C[5]CH)(C[5]C[5]Si)(CC[6a]HH){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHN)(H){1|Si<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(SiC3){1|C<4>,3|H<1>}	112.5065	0.395	2	112.5065	0.156	2	112.5065	0.156	2	111.8818	2.198	18	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:4:1:	4:3:4:	C[5]-4:C[5]-3:Si-4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:Si-4:	C[5](C[5]C[5]CH)(C[5]C[5]Si)(SiC3)	C[5](C[5]C[5]HH)(C[5]C[5]Si)(CCCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]Si)(SiC3)	C[5](C[5]C[5]CH)(C[5]C[5]Si)(SiC3){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]Si)(CCCH)(H){1|Si<4>,1|C<3>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]Si)(SiC3){1|C<4>,3|H<1>}	109.2020	0.000	1	109.6907	0.354	3	109.8720	0.285	5	111.8818	2.198	18	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:4:1:	4:3:4:	C[5]-4:C[5]-3:Si-4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:Si-4:	C[5](C[5]C[5]CH)(C[5]C[5]Si)(SiC3)	C[5](C[5]C[5]HH)(C[5]C[5]Si)(CCCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]Si)(SiC3)	C[5](C[5]C[5]CH)(C[5]C[5]Si)(SiC3){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]Si)(CCCH)(H){1|Si<4>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]Si)(SiC3){1|C<4>,3|H<1>}	109.9350	0.591	2	109.6907	0.354	3	109.8720	0.285	5	111.8818	2.198	18	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:4:1:	4:3:4:	C[5]-4:C[5]-3:Si-4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:Si-4:	C[5](C[5]C[5]CH)(C[5]C[5]Si)(SiC3)	C[5](C[5]C[5]HH)(C[5]C[5]Si)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]Si)(SiC3)	C[5](C[5]C[5]CH)(C[5]C[5]Si)(SiC3){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]Si)(CCHH)(H){1|Si<4>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]Si)(SiC3){1|C<4>,3|H<1>}	110.1440	0.431	2	110.1440	0.186	2	109.8720	0.285	5	111.8818	2.198	18	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:4:2:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]CO)(C[5]C[5]H)(CCCH)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(OH)	C[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]CO)(C[5]C[5]H)(CCCH){1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(OH){1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(H){1|C<3>,1|O<2>,2|C<4>}	111.1083	0.211	3	111.1083	0.044	3	111.1083	0.044	3	111.1083	0.044	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:4:2:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:O-2:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]CO)(C[5]C[5,5]H)(CH3)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]C)(CC[3]HH)(OH)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(H)	C[5](C[5]C[5,5]CO)(C[5]C[5,5]H)(CH3){1|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]C)(CC[3]HH)(OH){2|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	112.7450	0.000	1	112.7450	0.000	1	112.7450	0.000	1	112.7450	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:4:2:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CO)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]CO)(C[5]C[5]C)(CH3){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)(OH){1|O<2>,2|C<4>}	C[5](C[5]C[5]CO)(C[5]C[5]C)(CH3){1|C<4>,1|O<2>,2|H<1>}	111.7912	0.089	4	111.7912	0.008	4	111.7912	0.008	4	111.7912	0.008	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:4:4:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]H)(CC[5]HH)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(CC[5]HH){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH)(CH3){3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){1|H<1>,3|C<4>}	111.9380	0.000	1	111.9380	0.000	1	111.9380	0.000	1	111.9380	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:4:4:	4:3:3:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CC[6a]HH)	C[5](C[5]C[5]HO)(C[5]C[5]C)(CH3)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CC[6a]HH){1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(C[5]C[5]C)(CH3)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH){1|H<1>,1|O<2>,2|C<4>}	113.3970	0.000	1	113.3970	0.000	1	113.3970	0.000	1	113.3970	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:4:4:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HH)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HH)(CH3){1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH){2|C<4>,2|H<1>}	111.5523	0.488	3	111.5523	0.238	3	111.8014	0.239	5	111.8014	0.239	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:4:4:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HO)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HO)(CH3){1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH){2|C<4>,2|H<1>}	112.0870	0.000	1	112.0870	0.000	1	111.8014	0.239	5	111.8014	0.239	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:3:4:4:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHO)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6]HO)(CCCO)	C[5](C[5]C[5]HO)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHO){1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6]HO)(CCCO){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]C[5]C)(CH3){2|C<4>,2|H<1>}	112.2630	0.000	1	112.2630	0.000	1	111.8014	0.239	5	111.8014	0.239	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:4:3:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[3]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[3]C[5]H)(C[5]C[5]H)(CCCH)	C[5](C[3]C[3]2H)(C[5]C[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[3]C[5]H)(C[5]C[5]H)(CCCH){1|O<1>,2|H<1>,3|C<4>}	C[5](C[3]C[3]2H)(C[5]C[5]CH)(C[5]C[5]C)(H){1|O<1>,2|H<1>,3|C<4>}	C[5](C[5]C[5]C)(C[5]C[5]O)(H){2|C<4>,2|H<1>}	110.5690	0.000	1	110.5690	0.000	1	110.5690	0.000	1	111.5120	0.408	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:4:3:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]2H)(C[5]C[5]H)(CCHH)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]2H)(C[5]C[5]H)(CCHH){1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]C)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(H){1|C<4>,3|H<1>}	111.8263	0.138	3	111.8263	0.019	3	111.8263	0.019	3	111.5120	0.408	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:4:3:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]2H)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5,5]O[5]C)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]2H)(C[5]C[5]C)(CCHH){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]O[5]C)(C[5]C[5]HH)(C[5]C[5]C)(H){1|H<1>,1|O<1>,4|C<4>}	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3){1|C<4>,3|H<1>}	112.8810	0.000	1	112.8810	0.000	1	112.8810	0.000	1	112.8810	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:4:3:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[3,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[3,5]C[5]H)(C[5]C[5]H)(CH3)	C[5](C[3,5]C[3]C[5]O[3])(C[5]C[5]O[5]H)(C[5]C[5]C)(H)	C[5](C[5]C[3,5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[3,5]C[5]H)(C[5]C[5]H)(CH3){2|C<4>,2|O<2>,3|H<1>}	C[5](C[3,5]C[3]C[5]O[3])(C[5]C[5]O[5]H)(C[5]C[5]C)(H){1|C<3>,4|C<4>,4|H<1>}	C[5](C[5]C[3,5]HH)(C[5]C[5]C)(H){1|H<1>,1|O<2>,2|C<4>}	110.4670	0.511	3	110.4670	0.262	3	110.4670	0.262	3	110.6529	0.176	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:4:3:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5,6]-4:C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]H)(CH3)	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5,6]C[5]H)(C[5]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]C)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]H)(CH3){1|Cr<9>,1|C<3>,1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5,6]C[5]H)(C[5]C[5]C)(H){1|Cr<9>,1|C<3>,2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]C)(H){2|H<1>,3|C<4>}	110.2610	0.000	1	110.2610	0.000	1	110.2610	0.000	1	110.6529	0.176	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:4:3:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]2H)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]2H)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]C)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,2|H<1>}	110.8460	0.000	2	110.7647	0.020	3	110.7647	0.020	3	110.6529	0.176	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:4:3:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]2H)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]2H)(C[5]C[5]H)(CH3){1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]C)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){2|C<4>,2|H<1>}	110.6020	0.000	1	110.7647	0.020	3	110.7647	0.020	3	110.6529	0.176	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:4:3:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(CC[6a]HH)	C[5](C[5]C[5]CC)(N[5]C[5]2H)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(CC[6a]HH){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5]CC)(N[5]C[5]2H)(C[5]C[5]C)(H){2|C<4>,7|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){1|H<1>,1|N<4>,2|C<3>}	111.2670	0.000	1	111.2670	0.000	1	111.2670	0.000	1	110.6529	0.176	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:4:3:2:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[6]-4:C[5]-3:O-2:	C[5]-3:C[5]-3:Si-4:	C[5](C[5]C[5]C[6]O)(C[5]C[5]Si)(CCHH)	C[5](C[5]C[5]HH)(C[6]C[6]2O)(C[5]C[5]C)(OH)	C[5](C[5]C[5]C)(C[5]C[5]O)(SiC3)	C[5](C[5]C[5]C[6]O)(C[5]C[5]Si)(CCHH){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[6]C[6]2O)(C[5]C[5]C)(OH){1|Si<4>,1|O<1>,3|C<4>,3|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(SiC3){1|C<4>,1|O<2>,2|H<1>}	113.5590	0.000	1	113.5590	0.000	1	113.5590	0.000	1	113.5590	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	4:4:3:4:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]2C)(C[5]C[5]H)(CCHH)	C[5](C[5]C[5,6]O[5]H)(C[5]C[5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]HO)(C[5]C[5]C)(H)	C[5](C[5]C[5]2C)(C[5]C[5]H)(CCHH){1|C<3>,2|O<2>,4|H<1>}	C[5](C[5]C[5,6]O[5]H)(C[5]C[5]HH)(C[5]C[5]C)(CH3){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]C[5]C)(H){2|C<4>,2|H<1>}	111.0450	0.000	2	111.0450	0.000	2	111.0450	0.000	2	111.0450	0.000	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	5:3:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[3,5]-5:C[5]-3:H-1:H-1:	C[3,5]-4:C[5]-3:C-4:	C[5](C[5]C[3,5]HH)(C[5]C[3,5]C)(CH3)	C[5](C[3,5]C[3,5]C[3]HfN)(C[5]C[5]C)(H)2	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]C)(CH3)	C[5](C[5]C[3,5]HH)(C[5]C[3,5]C)(CH3){1|Hf<11>,1|C<5>,1|H<1>,1|N<3>}	C[5](C[3,5]C[3,5]C[3]HfN)(C[5]C[5]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]C)(CH3){1|Hf<11>,2|N<3>,3|H<1>}	111.9600	0.000	1	111.9600	0.000	1	111.9600	0.000	1	118.1486	11.980	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	5:3:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	Ge[3,3,5]-5:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]Ge[3,3,5]HH)(C[5]C[5]C)(CC[6a]HH)	C[5](Ge[3,3,5]B[3,3]C[5]N[3]2)(C[5]C[5]C)(H)2	C[5](C[5]Ge[3,3,5]HH)(C[5]C[5]C)(CC[6a]HH)	C[5](C[5]Ge[3,3,5]HH)(C[5]C[5]C)(CC[6a]HH){1|B<4>,2|H<1>,2|N<3>}	C[5](Ge[3,3,5]B[3,3]C[5]N[3]2)(C[5]C[5]C)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]Ge[3,3,5]HH)(C[5]C[5]C)(CC[6a]HH){1|B<4>,2|H<1>,2|N<3>}	119.6105	0.101	2	119.6105	0.010	2	119.6958	0.015	4	118.1486	11.980	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	5:3:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	Ge[3,3,5]-5:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]Ge[3,3,5]HH)(C[5]C[5]C)(CH3)	C[5](Ge[3,3,5]B[3,3]C[5]N[3]2)(C[5]C[5]C)(H)2	C[5](C[5]Ge[3,3,5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]Ge[3,3,5]HH)(C[5]C[5]C)(CH3){1|B<4>,2|H<1>,2|N<3>}	C[5](Ge[3,3,5]B[3,3]C[5]N[3]2)(C[5]C[5]C)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]Ge[3,3,5]HH)(C[5]C[5]C)(CH3){1|B<4>,2|H<1>,2|N<3>}	119.7810	0.085	2	119.7810	0.007	2	119.6958	0.015	4	118.1486	11.980	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	5:3:3:4:	3:3:4:	C[5]-4:C[5]-3:C-4:	Si[3,3]-5:C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]Si[3,3]C[5]C)(C[5]C[5]C)(CH3)	C[5](Si[3,3]Si[3,3]O[3]2N)(C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]Si[3,3]C[5]C)(C[5]C[5]C)(CH3){1|Si<5>,1|N<3>,2|C<4>,2|O<2>}	C[5](Si[3,3]Si[3,3]O[3]2N)(C[5]C[5]C)2(CH3){1|N<3>,3|C<4>}	C[5](C[5]C[5]C)2(CH3){1|Si<5>,2|C<4>}	109.2550	0.301	4	109.2550	0.091	4	109.2550	0.091	4	109.2550	0.091	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:4:	6:3:3:4:	3:3:4:	C[5]-4:C[5]-3:C-4:	B[5x3]-6:C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]B[5x3]C[5]C)(C[5]C[5]C)(CH3)	C[5](B[5x3]C[3,3,5]5)(C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]B[5x3]C[5]C)(C[5]C[5]C)(CH3){7|C<4>}	C[5](B[5x3]C[3,3,5]5)(C[5]C[5]C)2(CH3){7|C<4>}	C[5](C[5]C[5]C)2(CH3){1|B<6>,2|C<4>}	109.3734	0.446	8	109.3734	0.199	8	109.3734	0.199	8	109.3734	0.199	8	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:3:5:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-5:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CRu2CC)	C[5](C[5]C[5]C)2(H)2	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CRu2CC){2|C<4>}	C[5](C[5]C[5]C)2(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]C)2(H){1|C<4>,2|H<1>}	108.2500	0.000	1	108.2500	0.000	1	108.2500	0.000	1	108.2500	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:4:3:	3:2:1:1:	3:3:1:	C[5]-4:C[5]-4:C[5]-3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5,6]C[5]H)(C[5]O[5]HH)(C[5]C[5]H)	C[5](C[5]C[5]2)(O[5]C[5])(H)2	C[5](C[5]C[5]2)(C[5]O[5]O)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]O[5]HH)(C[5]C[5]H){1|O<1>,2|H<1>,4|C<4>}	C[5](C[5]C[5]2)(O[5]C[5])(H)2{1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5]2)(C[5]O[5]O)(H){2|C<4>,3|H<1>}	107.8351	0.642	14	107.8351	0.412	14	107.8312	0.383	15	107.8312	0.383	15	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:4:3:	3:2:1:1:	3:3:1:	C[5]-4:C[5]-4:C[5]-3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]O[5]C)(C[5]O[5]HH)(C[5]C[5]H)	C[5](C[5]C[5]2)(O[5]C[5])(H)2	C[5](C[5]C[5]2)(C[5]O[5]O)(H)	C[5](C[5]C[5]O[5]C)(C[5]O[5]HH)(C[5]C[5]H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]2)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]2)(C[5]O[5]O)(H){1|O<2>,2|C<4>,2|H<1>}	107.7760	0.000	1	107.7760	0.000	1	107.8312	0.383	15	107.8312	0.383	15	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:4:3:	3:2:1:1:	3:3:4:	C[3,5]-4:C[5]-4:C[5]-3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[3,5]C[3,5]C[5]O[3])(C[5]O[5]HH)(C[5]C[5]C)	C[5](C[5]C[3,5]C[5])(O[5]C[5])(H)2	C[5](C[5]C[3,5]C[5])(C[5]O[5]O)(CCHO)	C[5](C[3,5]C[3,5]C[5]O[3])(C[5]O[5]HH)(C[5]C[5]C){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5]C[3,5]C[5])(O[5]C[5])(H)2{1|O<1>,1|O<2>,3|C<4>}	C[5](C[5]C[3,5]C[5])(C[5]O[5]O)(CCHO){1|O<2>,2|C<4>,2|H<1>}	109.6550	0.000	1	109.6550	0.000	1	109.6550	0.000	1	109.5693	0.068	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:4:3:	3:2:1:1:	3:3:4:	C[5]-4:C[5]-4:C[5]-3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]2H)(C[5]O[5]HH)(C[5]C[5]C)	C[5](C[5]C[5]2)(O[5]C[5])(H)2	C[5](C[5]C[5]2)(C[5]O[5]O)(CCHH)	C[5](C[5]C[5]2H)(C[5]O[5]HH)(C[5]C[5]C){1|O<1>,3|C<4>,3|H<1>}	C[5](C[5]C[5]2)(O[5]C[5])(H)2{1|H<1>,1|O<1>,3|C<4>}	C[5](C[5]C[5]2)(C[5]O[5]O)(CCHH){2|C<4>,3|H<1>}	109.5265	0.354	2	109.5265	0.126	2	109.5265	0.126	2	109.5693	0.068	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:4:3:	3:2:4:2:	3:3:1:	C[5]-4:C[6]-4:C[5]-3:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]O[5]CO)(C[6]C[6]2H)(C[5]C[5]H)	C[5](C[5]C[5]C[6])(O[5]C[5])(CH3)(OC)	C[5](C[5]C[5]C[6])(C[5]O[5]O)(H)	C[5](C[5]O[5]CO)(C[6]C[6]2H)(C[5]C[5]H){1|O<1>,2|C<4>,4|H<1>}	C[5](C[5]C[5]C[6])(O[5]C[5])(CH3)(OC){1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5]C[6])(C[5]O[5]O)(H){1|H<1>,1|O<2>,3|C<4>}	108.3170	0.000	1	108.3170	0.000	1	108.3170	0.000	1	108.3170	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:4:3:	3:2:4:2:	3:3:4:	C[5]-4:C-4:C[5]-3:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5]O[5]CO)(CC[3,5]HH)(C[5]C[5]C)	C[5](C[5]C[5]C)(O[5]C[5])(CCHH)(OC)	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3)	C[5](C[5]O[5]CO)(CC[3,5]HH)(C[5]C[5]C){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(CCHH)(OC){1|C<4>,1|O<1>}	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3){1|C<4>,1|O<2>}	110.3630	0.000	1	110.3630	0.000	1	110.3630	0.000	1	110.3630	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:4:3:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]H){1|C<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	109.9855	0.356	2	109.9855	0.127	2	109.3670	1.211	3	108.9665	1.449	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:4:3:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H){1|C<4>,3|C<3>,4|H<1>}	108.1300	0.000	1	108.1300	0.000	1	109.3670	1.211	3	108.9665	1.449	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:4:3:	3:3:1:1:	3:3:1:	C[5]-4:C[6]-4:C[5]-3:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]HH)(C[6]C[6]2H)(C[5]C[5]H)	C[5](C[5]C[5]C[6])(N[5]C[5]C)(H)2	C[5](C[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](C[5]N[5]HH)(C[6]C[6]2H)(C[5]C[5]H){1|B<4>,2|C<4>,5|H<1>}	C[5](C[5]C[5]C[6])(N[5]C[5]C)(H)2{2|C<4>,3|H<1>}	C[5](C[5]C[5]C[6])(C[5]N[5]H)(H){3|C<4>,3|H<1>}	107.7650	0.000	1	107.7650	0.000	1	107.7650	0.000	1	108.9665	1.449	4	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:4:3:	3:3:1:1:	3:4:1:	C[5]-4:C[6]-4:C[5]-3:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5](C[5]N[5]HH)(C[6]C[6]2H)(C[5]C[5]H)	C[5](C[5]C[5]C[6])(N[5]C[5]S)(H)2	C[5](C[5]C[5]C[6])(C[5]N[5]HH)(H)	C[5](C[5]N[5]HH)(C[6]C[6]2H)(C[5]C[5]H){1|C<3>,1|C<4>,1|O<2>,1|S<4>,4|H<1>}	C[5](C[5]C[5]C[6])(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5]C[6])(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	110.3650	0.000	1	110.3650	0.000	1	110.3650	0.000	1	110.3650	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:4:3:	3:3:1:1:	4:4:3:	C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5](C[5]C[5,6a]HH)2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)2	C[5](C[5]C[5,6a]HH)2(C[5]C[5]2)	C[5](C[5]C[5,6a]HH)2(C[5]C[5]2){4|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6a]HH)2(C[5]C[5]2){4|C<3>,4|H<1>}	125.2965	0.332	2	125.2965	0.110	2	125.2965	0.110	2	125.2965	0.110	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:4:3:	3:3:3:3:	3:3:3:	C[5]-4:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:C-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]2Ru)(C[5]C[5]CC)(C[5]C[5]C)	C[5](C[5]C[5]2)(C[5]C[5]C)(COO)2	C[5](C[5]C[5]2)(C[5]C[5]C)(COO)	C[5](C[5]C[5]2Ru)(C[5]C[5]CC)(C[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]2)(C[5]C[5]C)(COO)2{1|Ru<10>,2|C<3>,2|C<4>}	C[5](C[5]C[5]2)(C[5]C[5]C)(COO){1|Ru<10>,2|C<4>,3|C<3>}	107.9450	0.000	1	107.9450	0.000	1	107.9450	0.000	1	107.9450	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:4:3:	3:3:4:4:	3:4:1:	C[6]-4:C[5]-4:C[5]-3:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-3:C[5]-4:H-1:	C[5](C[6]C[6]S[6]H)(C[5]N[5]CC)(C[5]C[5]H)	C[5](C[5]C[5]C[6])(N[5]C[5]O)(CH3)2	C[5](C[5]C[5]C[6])(C[5]N[5]CC)(H)	C[5](C[6]C[6]S[6]H)(C[5]N[5]CC)(C[5]C[5]H){1|C<3>,1|O<1>,1|S<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]C[6])(N[5]C[5]O)(CH3)2{1|S<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5]C[6])(C[5]N[5]CC)(H){1|H<1>,1|O<1>,1|S<2>,3|C<4>}	112.8900	0.000	1	112.8900	0.000	1	112.8900	0.000	1	112.8900	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:4:3:	3:4:1:1:	3:3:1:	C[4]-4:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[4]C[4,5]2H)(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5]C[4]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]C[4]C[5])(C[5]C[5]O)(H)	C[5](C[4]C[4,5]2H)(C[5]C[5]HH)(C[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[5]C[4]C[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[4]C[5])(C[5]C[5]O)(H){2|C<4>,5|H<1>}	111.8410	0.000	1	111.8410	0.000	1	111.8410	0.000	1	111.8410	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:4:3:	3:4:1:1:	3:4:3:	C[6]-4:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-3:	C[5](C[6]C[6a]B[6]2)(C[5]C[5]HH)(C[5]C[5]C)	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CC[6a]C)	C[5](C[6]C[6a]B[6]2)(C[5]C[5]HH)(C[5]C[5]C){2|Cl<1>,1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(H)2{2|B<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CC[6a]C){1|C<3>,2|B<3>,4|H<1>}	110.9430	0.000	1	110.9430	0.000	1	110.9430	0.000	1	110.9430	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:4:3:	3:4:2:1:	4:3:4:	C[5]-4:C[6]-4:C[5]-3:	C[5]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HO)(C[6]C[6]2C)(C[5]C[5]C)	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]C[6])(CH3)	C[5](C[5]C[5]HO)(C[6]C[6]2C)(C[5]C[5]C){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(OC)(H){1|C<3>,1|H<1>,4|C<4>}	C[5](C[5]C[5a]C[5]H)(C[5]C[5]C[6])(CH3){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	109.0560	0.235	2	109.0560	0.055	2	109.0560	0.055	2	109.0560	0.055	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:4:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[5]-4:C[5]-3:	C[5]-3:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6,6]C[3x6]2H)(C[5]C[5]C[6]H)(C[5]C[5]H)	C[5](C[5]C[6,6]C[5])(C[6]C[6]2O)(C[5]C[5]H)(H)	C[5](C[5]C[6,6]C[5])(C[5]C[5]H)(H)	C[5](C[6,6]C[3x6]2H)(C[5]C[5]C[6]H)(C[5]C[5]H){1|O<2>,4|H<1>,6|C<4>}	C[5](C[5]C[6,6]C[5])(C[6]C[6]2O)(C[5]C[5]H)(H){4|C<4>,7|H<1>}	C[5](C[5]C[6,6]C[5])(C[5]C[5]H)(H){3|C<4>,3|H<1>}	107.9920	0.000	1	107.9920	0.000	1	107.9920	0.000	1	107.9920	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:4:3:	3:4:3:2:	3:4:1:	C[5]-4:C[6]-4:C[5]-3:	C[5]-3:C[5]-4:C-3:O-2:	C[5]-3:C[5]-4:H-1:	C[5](C[5]C[5]CO)(C[6]C[6]2O)(C[5]C[5]H)	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CCO)(OH)	C[5](C[5]C[5]C[6])(C[5]C[5]CO)(H)	C[5](C[5]C[5]CO)(C[6]C[6]2O)(C[5]C[5]H){1|O<2>,4|H<1>,5|C<4>}	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CCO)(OH){1|H<1>,2|O<2>,3|C<4>}	C[5](C[5]C[5]C[6])(C[5]C[5]CO)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	108.8570	0.000	1	108.8570	0.000	1	108.8570	0.000	1	108.8570	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:4:3:	3:4:4:1:	3:4:1:	C[5,6]-4:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-3:C[5]-4:H-1:	C[5](C[5,6]C[5,6]2C[6])(C[5]C[5]CH)(C[5]C[5]H)	C[5](C[5]C[5,6]C[5])(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5,6]C[5])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]2C[6])(C[5]C[5]CH)(C[5]C[5]H){1|O<2>,5|C<4>,7|H<1>}	C[5](C[5]C[5,6]C[5])(C[5]C[5]HH)(CCHH)(H){3|C<4>,3|H<1>}	C[5](C[5]C[5,6]C[5])(C[5]C[5]HH)(H){3|H<1>,4|C<4>}	109.8510	0.000	1	109.8510	0.000	1	109.8510	0.000	1	109.8510	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:4:3:	3:4:4:2:	3:3:4:	C[6]-4:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:C-4:O-2:	C[5]-3:C[5]-3:Si-4:	C[5](C[6]C[6]2Cr)(C[5]C[5]CO)(C[5]C[5]Si)	C[5](C[5]C[5]C[6])(C[5]C[5]SiH)(CH3)(OC)	C[5](C[5]C[5]C[6])(C[5]C[5]O)(SiC3)	C[5](C[6]C[6]2Cr)(C[5]C[5]CO)(C[5]C[5]Si){1|Si<4>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5]C[6])(C[5]C[5]SiH)(CH3)(OC){1|Cr<9>,1|Si<4>,1|O<1>,2|C<4>}	C[5](C[5]C[5]C[6])(C[5]C[5]O)(SiC3){1|Cr<9>,1|Si<4>,1|H<1>,1|O<2>,3|C<4>}	113.0800	0.000	1	113.0800	0.000	1	113.0800	0.000	1	113.0800	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	3:3:1:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(C[5]N[5]H)	C[5](C[5]N[5]HH)(C[5]C[5]2)(H)2	C[5](C[5]C[5]2)(N[5]C[5]C)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(C[5]N[5]H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]2)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5]2)(N[5]C[5]C)(H){1|C<4>,1|N<3>,5|H<1>}	110.5870	0.000	1	110.5870	0.000	1	110.5870	0.000	1	110.5870	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:3:	C[5]-4:P-4:C[5]-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(PC[6a]2Ni)(C[5]C[5]C)	C[5](C[5]C[5]HH)(C[5]C[5]P)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]P)(CHN)	C[5](C[5]C[5]HH)(PC[6a]2Ni)(C[5]C[5]C){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]P)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]P)(CHN){4|H<1>}	111.5920	0.000	1	111.5920	0.000	1	111.1750	0.194	3	111.6284	0.576	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:3:	C[5]-4:P-4:C[5]-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(PC[6a]2Pd)(C[5]C[5]C)	C[5](C[5]C[5]HH)(C[5]C[5]P)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]P)(CHN)	C[5](C[5]C[5]HH)(PC[6a]2Pd)(C[5]C[5]C){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]P)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]P)(CHN){4|H<1>}	110.9665	0.356	2	110.9665	0.127	2	111.1750	0.194	3	111.6284	0.576	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:3:	C[5]-4:P-4:C[5]-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:N-3:	C[5](C[5]C[5]HH)(PC[6a]2Ir)(C[5]C[5]N)	C[5](C[5]C[5]HH)(C[5]C[5]P)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]P)(NC[6a]Ir)	C[5](C[5]C[5]HH)(PC[6a]2Ir)(C[5]C[5]N){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]P)(H)2{1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]P)(NC[6a]Ir){4|H<1>}	112.3085	0.613	2	112.3085	0.376	2	112.3085	0.376	2	111.6284	0.576	5	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:4:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]C)	C[5](C[5]C[5]CC)(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]2)(CB[5]CH)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]C){2|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]2)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(CB[5]CH){1|C<4>,3|C<3>,3|H<1>}	111.9540	0.160	3	111.9540	0.026	3	111.9540	0.026	3	111.9540	0.026	3	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:2:1:	4:3:4:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5,5]N[5]H)(C[5]C[5]HO)(C[5]C[5]C)	C[5](C[5]C[5]HH)(C[5]C[5]2)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]2)(CC[5]HH)	C[5](C[5]C[5,5]N[5]H)(C[5]C[5]HO)(C[5]C[5]C){1|C<3>,1|C<4>,2|N<3>,5|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(OC)(H){1|N<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(CC[5]HH){1|C<4>,1|N<3>,1|O<2>,4|H<1>}	111.1090	0.000	1	111.1090	0.000	1	111.1090	0.000	1	111.1090	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:3:1:	4:3:4:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]C)	C[5](C[5]C[5]HH)(C[5]C[5]2)(CCC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]2)(CH3)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]C){1|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(CCC)(H){1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(CH3){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	112.7290	0.311	2	112.7290	0.097	2	112.7290	0.097	2	112.7290	0.097	2	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:3:2:	3:3:4:	C[5]-4:C[6]-4:C[5]-3:	C[5]-4:C[5]-3:C[6a]-3:O-2:	C[5]-3:C[5]-3:Si-4:	C[5](C[5]C[6a]C[5]O)(C[6]C[6]2Cr)(C[5]C[5]Si)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C[6])(C[6a]C[6a]2)(OC)	C[5](C[5]C[5]C[6])(C[5]C[5]O)(SiC3)	C[5](C[5]C[6a]C[5]O)(C[6]C[6]2Cr)(C[5]C[5]Si){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C[6])(C[6a]C[6a]2)(OC){1|Cr<9>,1|Si<4>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5]C[6])(C[5]C[5]O)(SiC3){1|Cr<9>,1|H<1>,1|O<2>,2|C<3>,2|C<4>}	113.0150	0.000	1	113.0150	0.000	1	113.0150	0.000	1	113.0150	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:3:3:	3:3:3:	C[5]-4:C-4:C[5]-3:	C[6]-4:C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[6a]C[5]C[6])(CC[6a]PdC)(C[5]C[5]C)	C[5](C[6]C[6]2Pd)(C[6a]C[6a]2)(C[5]C[5]C)2	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(COO)	C[5](C[5]C[6a]C[5]C[6])(CC[6a]PdC)(C[5]C[5]C){1|C<4>,5|C<3>}	C[5](C[6]C[6]2Pd)(C[6a]C[6a]2)(C[5]C[5]C)2{4|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(COO){1|C<4>,4|C<3>}	109.6330	0.000	1	109.6330	0.000	1	109.6330	0.000	1	109.6330	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	3:3:4:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]C)	C[5](C[5]C[5]HH)(C[5]C[5]2)(CCCO)(H)	C[5](C[5]C[5]2)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(CCCO)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]2)(C[5]C[5]O)(CH3){1|O<2>,2|C<4>,4|H<1>}	113.7040	0.000	1	113.7040	0.000	1	113.7040	0.000	1	113.7040	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	4:3:4:	C[5]-4:C[5]-4:C[5]-3:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[5,5,6]-4:C[5]-3:C-4:	C[5](C[5]C[5,5,6]CH)(C[5]C[5]O[5]H)(C[5]C[5,5,6]C)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]2)(CCCO)(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]2)(CH3)	C[5](C[5]C[5,5,6]CH)(C[5]C[5]O[5]H)(C[5]C[5,5,6]C){1|C<3>,3|H<1>,4|C<4>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]2)(CCCO)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]2)(CH3){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	113.4390	0.000	1	113.4390	0.000	1	113.4390	0.000	1	113.4390	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:4:2:	3:3:4:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(C[5]C[5]C)	C[5](C[5]C[5]HH)(C[5]C[5]2)(CCCO)(OH)	C[5](C[5]C[5]2)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(C[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(CCCO)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]2)(C[5]C[5]O)(CH3){2|C<4>,2|O<2>,3|H<1>}	112.8340	0.000	1	112.8340	0.000	1	112.8340	0.000	1	112.8340	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	5:SP2_SP2_SP3	C[5]	C[5]	C[5]	4:4:3:	4:3:4:4:	4:3:1:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]O[5]O)(C[5]C[5]CC)(C[5]C[5]H)	C[5](C[5]C[5]HH)(C[5]C[5]2)(CCHH)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]2)(H)	C[5](C[5]C[5,6]O[5]O)(C[5]C[5]CC)(C[5]C[5]H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(CCHH)(CH3){1|C<3>,2|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	111.8200	0.000	1	111.8200	0.000	1	111.8200	0.000	1	111.8200	0.000	1	110.4346	6.888	3885	110.3153	6.531	7265
818	474	818	6:SP2_SP2_SP3	C[5,3x6]	C[5,5,6]	C[5,3x6]	4:3:4:	3:4:2:1:	4:3:4:	C[5,5,6]-4:C[5,3x6]-3:C[3x6]-4:	C[5,3x6]-3:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,3x6]-3:C[3x6]-4:	C[5,3x6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,3x6]C[5,5,6]C[3x6])(C[3x6]C[5,6,6]C[6,6]H)	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H)	C[5,3x6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,3x6]C[5,5,6]C[3x6])(C[3x6]C[5,6,6]C[6,6]H)	C[5,3x6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,3x6]C[5,5,6]C[3x6])(C[3x6]C[5,6,6]C[6,6]H){2|C<3>,3|C<4>,6|H<1>}	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	C[5,3x6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,3x6]C[5,5,6]C[3x6])(C[3x6]C[5,6,6]C[6,6]H){2|C<3>,3|C<4>,6|H<1>}	106.0210	0.222	2	106.0210	0.049	2	106.0210	0.049	2	106.0210	0.049	2	106.0210	0.049	2	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,5,6]	C[3x5,6]	C[5,6]	4:3:4:	3:4:3:4:	4:3:1:	C[3x5,6]-4:C[5,6]-3:C[5]-4:	C[5,5,6]-3:C[5,6]-4:C[5,5]-3:C[5]-4:	C[3x5,6]-4:C[5,5,6]-3:H-1:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[3x5,6]H)(C[5]C[5]HH)	C[3x5,6](C[5,5,6]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(C[5,5]C[3x5,6]C)(C[5]C[5]HH)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]N[5])(C[5,5,6]C[3x5,6]C[5])(H)	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[3x5,6]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(C[5,5]C[3x5,6]C)(C[5]C[5]HH){1|C<4>,1|N<3>,6|H<1>}	C[5,6](C[3x5,6]C[5,5,6]C[5,5]N[5])(C[5,5,6]C[3x5,6]C[5])(H){1|C<3>,1|S<4>,3|H<1>,5|C<4>}	109.7470	0.000	1	109.7470	0.000	1	109.7470	0.000	1	109.7470	0.000	1	109.2283	0.516	3	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,5,6]	C[3x5,6]	C[5,6]	4:4:3:	4:3:4:4:	3:4:1:	C[3x5,6]-4:C[5,6]-4:C[5,6]-3:	C[5,5]-4:C[5,5,6]-3:C[5,6]-4:C[5]-4:	C[5,5,6]-3:C[5,5,6]-4:H-1:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,6]C[6]H)(C[5,6]C[5,5,6]H)	C[3x5,6](C[5,5]C[5,5,6]Cl2)(C[5,5,6]C[5,6]2)(C[5,6]C[5,6]HH)(C[5]C[5,6]HH)	C[5,6](C[5,5,6]C[3x5,6]C[5,6])(C[5,5,6]C[5,5]C[5,6]O)(H)	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,6]C[6]H)(C[5,6]C[5,5,6]H){2|Cl<1>,1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[3x5,6](C[5,5]C[5,5,6]Cl2)(C[5,5,6]C[5,6]2)(C[5,6]C[5,6]HH)(C[5]C[5,6]HH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5,6])(C[5,5,6]C[5,5]C[5,6]O)(H){2|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	109.5300	0.000	1	109.5300	0.000	1	109.5300	0.000	1	109.5300	0.000	1	109.2283	0.516	3	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,5,6]	C[3x5,6]	C[5,6]	4:4:3:	4:4:3:4:	4:3:1:	C[3x5,6]-4:C[5,6]-4:C[5,6]-3:	C[5,5]-4:C[5,6]-4:C[5,5,6]-3:C[5]-4:	C[5,5,6]-4:C[5,5,6]-3:H-1:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,6]C[6]C)(C[5,6]C[5,5,6]H)	C[3x5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[3,5,6]HH)(C[5,5,6]C[5,6]2)(C[5]C[5,6]HH)	C[5,6](C[5,5,6]C[3,5,6]C[5,5]O)(C[5,5,6]C[3x5,6]C[5,6])(H)	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,6]C[6]C)(C[5,6]C[5,5,6]H){1|O<2>,3|C<4>,9|H<1>}	C[3x5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[3,5,6]HH)(C[5,5,6]C[5,6]2)(C[5]C[5,6]HH){1|O<2>,2|H<1>,5|C<4>}	C[5,6](C[5,5,6]C[3,5,6]C[5,5]O)(C[5,5,6]C[3x5,6]C[5,6])(H){2|H<1>,7|C<4>}	108.4080	0.000	1	108.4080	0.000	1	108.4080	0.000	1	108.4080	0.000	1	109.2283	0.516	3	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,5,6]	C[4x5,6]	C[5,6]	4:3:4:	4:4:3:3:	4:3:1:	C[4x5,6]-4:C[5,6]-3:C[5]-4:	C[3,5,5,6]-4:C[4x5]-4:C[5,5,6]-3:C[5]-3:	C[3x5,6]-4:C[5,5,6]-3:H-1:	C[5,5,6](C[4x5,6]C[3,5,5,6]C[4x5]C[5])(C[5,6]C[3x5,6]H)(C[5]O[5]HH)	C[4x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]C)(C[4x5]C[3x5,6]O[5,5]C)(C[5,5,6]C[5,6]C[5])(C[5]O[5]O)	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]H)(C[5,5,6]C[4x5,6]C[5])(H)	C[5,5,6](C[4x5,6]C[3,5,5,6]C[4x5]C[5])(C[5,6]C[3x5,6]H)(C[5]O[5]HH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[4x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]C)(C[4x5]C[3x5,6]O[5,5]C)(C[5,5,6]C[5,6]C[5])(C[5]O[5]O){1|C<4>,5|H<1>}	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]H)(C[5,5,6]C[4x5,6]C[5])(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	108.7280	0.000	1	108.7280	0.000	1	108.7280	0.000	1	108.7280	0.000	1	108.7280	0.000	1	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,5,6]	3:4:3:	3:4:4:1:	4:3:4:	C[5,5,6]-3:C[5,5,6]-4:N[5]-3:	C[5,5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-3:P[5,5]-4:	C[5,5,6](C[5,5,6]C[5,5,6]P[5,5])(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[6a]Ge[5])	C[5,5,6](C[5,5,6]C[5,5,6]N[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]N[5])(P[5,5]Ge[5]N[5]2)	C[5,5,6](C[5,5,6]C[5,5,6]P[5,5])(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[6a]Ge[5]){1|C<4>,2|N<3>,3|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|Ge<3>,1|C<3>,1|P<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]N[5])(P[5,5]Ge[5]N[5]2){2|C<3>,5|C<4>,5|H<1>}	107.1500	0.000	1	107.1175	0.002	2	107.1175	0.002	2	107.1175	0.002	2	107.2658	1.637	12	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,5,6]	3:4:3:	3:4:4:1:	4:3:4:	C[5,5,6]-3:C[5,5,6]-4:N[5]-3:	C[5,5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-3:P[5,5]-4:	C[5,5,6](C[5,5,6]C[5,5,6]P[5,5])(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[6a]Ge[5])	C[5,5,6](C[5,5,6]C[5,5,6]N[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]N[5])(P[5,5]Ge[5]N[5]2)	C[5,5,6](C[5,5,6]C[5,5,6]P[5,5])(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[6a]Ge[5]){1|Rh<6>,1|C<4>,2|N<3>,3|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|Ge<4>,1|C<3>,1|P<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]N[5])(P[5,5]Ge[5]N[5]2){1|Rh<6>,2|C<3>,5|C<4>,5|H<1>}	107.0850	0.000	1	107.1175	0.002	2	107.1175	0.002	2	107.1175	0.002	2	107.2658	1.637	12	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,5,6]	4:3:3:	3:4:4:1:	4:3:3:	C[5,5,6]-4:C[5,5,6]-3:C[5]-3:	C[5,5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-3:N[5]-3:	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]N[5])(C[5]N[5]H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,5,6]C[5,5,6]C[5])(N[5]N[5]Zn)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]N[5])(C[5]N[5]H){1|Zn<4>,2|H<1>,5|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<4>,2|N<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,5,6]C[5,5,6]C[5])(N[5]N[5]Zn){4|C<4>,4|H<1>}	106.1470	0.065	4	106.1470	0.004	4	106.1470	0.004	4	106.1470	0.004	4	107.2658	1.637	12	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,5,6]	4:3:3:	3:4:4:4:	4:3:3:	C[5,5,6]-4:C[5,5,6]-3:N[5]-3:	C[5,5,6]-3:C[5,5]-4:C[5,6]-4:C-4:	C[5,5,6]-4:C[5,5,6]-3:C[5]-3:	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,5,6]C[5,5,6]C[5])(N[5]N[5]Zn)	C[5,5,6](C[5,5,6]C[5,5,6]N[5])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]N[5])(C[5]N[5]H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,5,6]C[5,5,6]C[5])(N[5]N[5]Zn){4|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|Zn<4>,1|C<3>,1|N<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]N[5])(C[5]N[5]H){1|Zn<4>,2|H<1>,5|C<4>}	108.9335	0.032	4	108.9335	0.001	4	108.9335	0.001	4	108.9335	0.001	4	107.2658	1.637	12	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,5,6]	4:3:4:	3:4:4:1:	3:4:3:	C[5,5,6]-4:C[5,5,6]-3:P[5,5]-4:	C[5,5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-3:C[5,5,6]-4:N[5]-3:	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]N[5])(P[5,5]Ge[5]N[5]2)	C[5,5,6](C[5,5,6]C[5,5,6]P[5,5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]P[5,5])(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[6a]Ge[5])	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]N[5])(P[5,5]Ge[5]N[5]2){1|Rh<6>,2|C<3>,5|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]P[5,5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|Ge<4>,3|H<1>,3|N<3>}	C[5,5,6](C[5,5,6]C[5,5,6]P[5,5])(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[6a]Ge[5]){1|Rh<6>,1|C<4>,2|N<3>,3|C<3>,5|H<1>}	106.4070	0.000	1	106.3165	0.016	2	106.3165	0.016	2	106.3165	0.016	2	107.2658	1.637	12	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,5,6]	4:3:4:	3:4:4:1:	3:4:3:	C[5,5,6]-4:C[5,5,6]-3:P[5,5]-4:	C[5,5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-3:C[5,5,6]-4:N[5]-3:	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]N[5])(P[5,5]Ge[5]N[5]2)	C[5,5,6](C[5,5,6]C[5,5,6]P[5,5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]P[5,5])(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[6a]Ge[5])	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]N[5])(P[5,5]Ge[5]N[5]2){2|C<3>,5|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]P[5,5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|Ge<3>,3|H<1>,3|N<3>}	C[5,5,6](C[5,5,6]C[5,5,6]P[5,5])(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[6a]Ge[5]){1|C<4>,2|N<3>,3|C<3>,5|H<1>}	106.2260	0.000	1	106.3165	0.016	2	106.3165	0.016	2	106.3165	0.016	2	107.2658	1.637	12	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6]	4:3:4:	3:4:4:4:	3:4:3:	C[5,5,6]-4:C[5,6]-3:C[5,5]-4:	C[5,5,6]-3:C[5,6]-4:C[5]-4:C[5]-4:	C[5,5,6]-3:C[6]-4:C[5]-3:	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6])(C[5,5]C[5]2H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6])(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[5]C[5]HO)	C[5,6](C[5,5,6]C[5,5,6]C[5,5])(C[6]C[6]HH)(C[5]C[5]O)	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6])(C[5,5]C[5]2H){1|O<1>,2|O<2>,3|C<4>,9|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6])(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[5]C[5]HO){1|C<3>,2|C<4>,9|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5])(C[6]C[6]HH)(C[5]C[5]O){4|C<4>,5|H<1>}	127.1650	0.000	1	127.1650	0.000	1	127.1650	0.000	1	127.1650	0.000	1	127.1650	0.000	1	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,5,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:1:	4:3:4:	C[5,6,6]-4:C[5,5,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,5,6]-3:Cl-1:	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])	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)	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]){3|Cl<1>,1|C<4>,6|C<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){1|Cl<1>,3|C<4>,5|C<3>}	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>}	126.0550	0.000	1	126.0550	0.000	1	126.0550	0.000	1	126.0550	0.000	1	126.0550	0.000	1	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6]	4:4:3:	3:4:3:1:	3:3:1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:	C[5,5,6]-3:C[5,6]-4:C-3:H-1:	C[5,5,6]-3:C[5,6]-3:H-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]H)	C[5,6](C[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,5,6]C[5]C)(COO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,5,6]H)(H)	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]H){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,5,6]C[5]C)(COO)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	108.7100	0.000	1	108.7100	0.000	1	108.7100	0.000	1	108.7100	0.000	1	108.7100	0.000	1	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,3x6]	C[5,6,6]	4:3:3:	4:3:4:3:	4:3:3:	C[5,3x6]-4:C[5,6,6]-3:C[5,6a]-3:	C[5,6,6]-4:C[5,6,6]-3:C[6,6]-4:C[5]-3:	C[5,3x6]-4:C[5,6,6]-3:C[5]-3:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5])(C[5,6a]C[5,6a]C[6a])	C[5,3x6](C[5,6,6]C[5,6,6]C[5,6a]C[5])(C[5,6,6]C[5,6,6]C[5,6a])(C[6,6]C[5,6,6]C[6a]H)(C[5]C[5,6a]O)	C[5,6,6](C[5,3x6]C[5,6,6]2C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a])(C[5]C[5,6a]O)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5])(C[5,6a]C[5,6a]C[6a]){2|C<4>,2|H<1>,2|O<1>,7|C<3>}	C[5,3x6](C[5,6,6]C[5,6,6]C[5,6a]C[5])(C[5,6,6]C[5,6,6]C[5,6a])(C[6,6]C[5,6,6]C[6a]H)(C[5]C[5,6a]O){12|C<3>,1|C<4>,1|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]2C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a])(C[5]C[5,6a]O){1|H<1>,2|C<4>,8|C<3>}	114.5170	0.000	1	114.5170	0.000	1	114.0860	0.121	5	114.4638	0.216	10	115.0068	9.231	17	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,3x6]	C[5,6,6]	4:3:3:	4:3:4:3:	4:3:3:	C[5,3x6]-4:C[5,6,6]-3:C[5,6a]-3:	C[5,6,6]-4:C[5,6,6]-3:C[6,6]-4:C[5]-3:	C[5,3x6]-4:C[5,6,6]-3:C[5]-3:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5])(C[5,6a]C[5,6a]C[6a])	C[5,3x6](C[5,6,6]C[5,6,6]C[5,6a]O)(C[5,6,6]C[5,6,6]C[5,6a])(C[6,6]C[5,6,6]C[6a]H)(C[5]C[5,6a]O)	C[5,6,6](C[5,3x6]C[5,6,6]2C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a])(C[5]C[5,6a]O)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5])(C[5,6a]C[5,6a]C[6a]){1|O<2>,2|C<4>,2|H<1>,2|O<1>,6|C<3>}	C[5,3x6](C[5,6,6]C[5,6,6]C[5,6a]O)(C[5,6,6]C[5,6,6]C[5,6a])(C[6,6]C[5,6,6]C[6a]H)(C[5]C[5,6a]O){10|C<3>,1|C<4>,1|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]2C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a])(C[5]C[5,6a]O){1|H<1>,2|C<4>,8|C<3>}	113.9783	0.290	4	113.9783	0.084	4	114.0860	0.121	5	114.4638	0.216	10	115.0068	9.231	17	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,3x6]	C[5,6,6]	4:3:3:	4:3:4:3:	4:3:3:	C[5,3x6]-4:C[5,6,6]-3:C[5]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:C[5,6a]-3:	C[5,3x6]-4:C[5,6,6]-3:C[5,6a]-3:	C[5,6,6](C[5,3x6]C[5,6,6]2C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a])(C[5]C[5,6a]O)	C[5,3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[5,6,6]C[6,6]C[5]2)(C[5,6a]C[5,6a]C[6a])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5])(C[5,6a]C[5,6a]C[6a])	C[5,6,6](C[5,3x6]C[5,6,6]2C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a])(C[5]C[5,6a]O){1|H<1>,2|C<4>,8|C<3>}	C[5,3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[5,6,6]C[6,6]C[5]2)(C[5,6a]C[5,6a]C[6a]){1|C<4>,1|O<2>,2|H<1>,4|O<1>,8|C<3>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5])(C[5,6a]C[5,6a]C[6a]){1|O<2>,2|C<4>,2|H<1>,2|O<1>,6|C<3>}	114.8618	0.084	4	114.8416	0.007	5	114.8416	0.007	5	114.4638	0.216	10	115.0068	9.231	17	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,3x6]	C[5,6,6]	4:3:3:	4:3:4:3:	4:3:3:	C[5,3x6]-4:C[5,6,6]-3:C[5]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:C[5,6a]-3:	C[5,3x6]-4:C[5,6,6]-3:C[5,6a]-3:	C[5,6,6](C[5,3x6]C[5,6,6]2C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a])(C[5]C[5,6a]O)	C[5,3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[5,6,6]C[6,6]C[5]2)(C[5,6a]C[5,6a]C[6a])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5])(C[5,6a]C[5,6a]C[6a])	C[5,6,6](C[5,3x6]C[5,6,6]2C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a])(C[5]C[5,6a]O){1|H<1>,2|C<4>,8|C<3>}	C[5,3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[5,6,6]C[6,6]C[5]2)(C[5,6a]C[5,6a]C[6a]){1|C<4>,2|H<1>,4|O<1>,9|C<3>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5])(C[5,6a]C[5,6a]C[6a]){2|C<4>,2|H<1>,2|O<1>,7|C<3>}	114.7610	0.000	1	114.8416	0.007	5	114.8416	0.007	5	114.4638	0.216	10	115.0068	9.231	17	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,3x6]	C[5,6,6]	4:3:3:	4:4:3:3:	4:3:3:	C[5,3x6]-4:C[5,6,6]-3:C[5,6a]-3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:C[5]-3:	C[5,3x6]-4:C[5,6,6]-3:C[5]-3:	C[5,6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[5,3x6]C[5])(C[5,6a]C[5,6a]C[6a])	C[5,3x6](C[5,6,6]C[5,5,6,6]C[5,6a]H)(C[5,6,6]C[5,6,6]C[5,6a]O)(C[5,6,6]C[5,6,6]C[5,6a])(C[5]C[5,6a]O)	C[5,6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a])(C[5]C[5,6a]O)	C[5,6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[5,3x6]C[5])(C[5,6a]C[5,6a]C[6a]){1|O<2>,2|C<4>,2|H<1>,2|O<1>,6|C<3>}	C[5,3x6](C[5,6,6]C[5,5,6,6]C[5,6a]H)(C[5,6,6]C[5,6,6]C[5,6a]O)(C[5,6,6]C[5,6,6]C[5,6a])(C[5]C[5,6a]O){1|H<1>,2|C<4>,9|C<3>}	C[5,6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a])(C[5]C[5,6a]O){1|H<1>,3|C<4>,7|C<3>}	114.2530	0.000	1	114.2530	0.000	1	114.2530	0.000	1	114.2620	0.000	2	115.0068	9.231	17	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,3x6]	C[5,6,6]	4:3:3:	4:4:3:3:	4:3:3:	C[5,3x6]-4:C[5,6,6]-3:C[5]-3:	C[5,5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:C[5,6a]-3:	C[5,3x6]-4:C[5,6,6]-3:C[5,6a]-3:	C[5,6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a])(C[5]C[5,6a]O)	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]C[5])(C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[5,6a]C[5,6a]C[6a])	C[5,6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[5,3x6]C[5])(C[5,6a]C[5,6a]C[6a])	C[5,6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a])(C[5]C[5,6a]O){1|H<1>,3|C<4>,7|C<3>}	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]C[5])(C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[5,6a]C[5,6a]C[6a]){1|C<4>,2|H<1>,2|O<2>,3|O<1>,9|C<3>}	C[5,6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[5,3x6]C[5])(C[5,6a]C[5,6a]C[6a]){1|O<2>,2|C<4>,2|H<1>,2|O<1>,6|C<3>}	114.2710	0.000	1	114.2710	0.000	1	114.2710	0.000	1	114.2620	0.000	2	115.0068	9.231	17	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,3x6]	C[5,6,6]	4:3:4:	3:4:2:4:	3:4:3:	C[5,3x6]-4:C[5,6,6]-3:C[5]-4:	C[5,6,6]-3:C[5,6,6]-4:O[6,6]-2:C[5]-4:	C[5,6,6]-3:C[3x6]-4:C[5]-3:	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[5,6,6]C[3x6]C[5])(C[5]O[5]HH)	C[5,3x6](C[5,6,6]C[5,6,6]C[5])(C[5,6,6]C[6,6]C[5]C)(O[6,6]N[6,6])(C[5]O[5]HH)	C[5,6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]N[6,6]H)(C[5]O[5]O)	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[5,6,6]C[3x6]C[5])(C[5]O[5]HH){1|N<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,3x6](C[5,6,6]C[5,6,6]C[5])(C[5,6,6]C[6,6]C[5]C)(O[6,6]N[6,6])(C[5]O[5]HH){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C[5,6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]N[6,6]H)(C[5]O[5]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	112.3695	0.200	2	112.3695	0.040	2	112.1973	0.109	3	112.1973	0.109	3	115.0068	9.231	17	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,3x6]	C[5,6,6]	4:3:4:	3:4:2:4:	3:4:3:	C[5,3x6]-4:C[5,6,6]-3:C[5]-4:	C[5,6,6]-3:C[5,6,6]-4:O[6,6]-2:C[5]-4:	C[5,6,6]-3:C[3x6]-4:C[5]-3:	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[5,6,6]C[3x6]C[5])(C[5]O[5]HH)	C[5,3x6](C[5,6,6]C[5,6,6]C[5])(C[5,6,6]C[6,6]C[5]C)(O[6,6]O[6,6])(C[5]O[5]HH)	C[5,6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]O[6,6]H)(C[5]O[5]O)	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[5,6,6]C[3x6]C[5])(C[5]O[5]HH){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[5,3x6](C[5,6,6]C[5,6,6]C[5])(C[5,6,6]C[6,6]C[5]C)(O[6,6]O[6,6])(C[5]O[5]HH){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[5,6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]O[6,6]H)(C[5]O[5]O){1|O<2>,2|C<4>,4|H<1>}	111.8530	0.000	1	111.8530	0.000	1	112.1973	0.109	3	112.1973	0.109	3	115.0068	9.231	17	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,3x6]	C[5,6,6]	4:4:3:	3:3:4:4:	3:3:3:	C[5,3x6]-4:C[5,3x6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,3x6]-4:C[6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,3x6]C[5,6,6a]C[5,3x6]C[6])2(C[5,6,6]C[5,6,6a]2)	C[5,3x6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6]C[5,3x6]C[5,6,6])(C[5,3x6]C[5,6,6a]2C[6])(C[6]C[6,6a]HH)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,3x6]2)	C[5,6,6](C[5,3x6]C[5,6,6a]C[5,3x6]C[6])2(C[5,6,6]C[5,6,6a]2){10|C<3>,2|C<4>,4|H<1>}	C[5,3x6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6]C[5,3x6]C[5,6,6])(C[5,3x6]C[5,6,6a]2C[6])(C[6]C[6,6a]HH){2|C<4>,2|H<1>,9|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,3x6]2){4|C<4>,6|C<3>}	122.5880	0.000	1	122.5880	0.000	1	122.5880	0.000	1	122.5880	0.000	1	115.0068	9.231	17	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,3x6]	C[5,6,6]	4:4:3:	3:4:3:4:	3:3:3:	C[5,3x6]-4:C[5,3x6]-4:C[5,6,6]-3:	C[5,6,6]-3:C[5,3x6]-4:C[5,6,6a]-3:C[6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,3x6]C[5,6,6a]C[5,3x6]C[6])2(C[5,6,6]C[5,6,6a]2)	C[5,3x6](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,3x6]C[5,6,6a]2C[6])(C[5,6,6a]C[5,6,6a]2)(C[6]C[6,6a]HH)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,3x6]2)	C[5,6,6](C[5,3x6]C[5,6,6a]C[5,3x6]C[6])2(C[5,6,6]C[5,6,6a]2){10|C<3>,2|C<4>,4|H<1>}	C[5,3x6](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,3x6]C[5,6,6a]2C[6])(C[5,6,6a]C[5,6,6a]2)(C[6]C[6,6a]HH){2|C<4>,2|H<1>,9|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,3x6]2){4|C<4>,6|C<3>}	122.7740	0.000	1	122.7740	0.000	1	122.7740	0.000	1	122.7740	0.000	1	115.0068	9.231	17	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,5,3x6]	C[5,6,6]	4:4:3:	4:3:4:3:	3:3:3:	C[5,5,3x6]-4:C[5,5,3x6]-4:C[5,6,6]-3:	C[5,5,3x6]-4:C[5,6,6]-3:C[5,5,6]-4:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]C[5,5,6])2(C[5,6,6]C[5,6,6a]2)	C[5,5,3x6](C[5,5,3x6]C[5,6,6a]2C[5,5,6])(C[5,6,6]C[5,5,3x6]C[5,6,6])(C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6,6a]C[5,6,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,5,3x6]2)	C[5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]C[5,5,6])2(C[5,6,6]C[5,6,6a]2){10|C<3>,6|C<4>}	C[5,5,3x6](C[5,5,3x6]C[5,6,6a]2C[5,5,6])(C[5,6,6]C[5,5,3x6]C[5,6,6])(C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6,6a]C[5,6,6a]2){2|C<4>,3|H<1>,9|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,5,3x6]2){4|C<4>,6|C<3>}	123.9185	0.828	2	123.9185	0.686	2	123.9185	0.686	2	123.9185	0.686	2	123.9185	0.686	2	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,5,6,6]	C[5,6,6]	4:3:3:	4:3:3:3:	3:3:4:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:C[5,6a]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6a])(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[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]N[5])(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[5,6a]C[5,6a]C[6a])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]){1|N<3>,2|C<4>,9|C<3>}	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]N[5])(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[5,6a]C[5,6a]C[6a]){10|C<3>,1|H<1>,2|C<4>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	124.3500	0.000	1	124.3500	0.000	1	124.3500	0.000	1	124.3500	0.000	1	124.7117	1.133	4	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,5,6,6]	C[5,6,6]	4:3:3:	4:3:3:4:	3:3:4:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:C[5,6]-4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5a,6,6]C[5,6])(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]C[5,6]C[6]H)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]){1|H<1>,3|C<4>,9|C<3>}	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5a,6,6]C[5,6])(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]C[5,6]C[6]H){1|O<1>,3|C<4>,3|H<1>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C){2|C<4>,7|C<3>}	123.8570	0.000	1	123.8570	0.000	1	123.8570	0.000	1	125.0625	2.906	2	124.7117	1.133	4	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,5,6,6]	C[5,6,6]	4:3:3:	4:3:3:4:	3:3:4:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:C[5]-4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5]C[5]CH)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]){1|H<1>,3|C<4>,9|C<3>}	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5]C[5]CH){1|H<1>,1|O<1>,2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){2|C<4>,7|C<3>}	126.2680	0.000	1	126.2680	0.000	1	126.2680	0.000	1	125.0625	2.906	2	124.7117	1.133	4	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,5,6,6]	C[5,6,6]	4:4:3:	4:3:3:4:	3:4:3:	C[5,5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:C[5]-4:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)(C[5]C[5]CH)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6]){1|H<1>,3|C<4>,9|C<3>}	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)(C[5]C[5]CH){1|H<1>,1|O<1>,3|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2){3|C<4>,7|C<3>}	124.3720	0.000	1	124.3720	0.000	1	124.3720	0.000	1	124.3720	0.000	1	124.7117	1.133	4	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,5,6,6]	C[5,6]	4:3:4:	3:4:2:4:	3:4:4:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:	C[5,6,6]-3:C[5,6]-4:O[5,5]-2:C[6]-4:	C[5,6,6]-3:C[5,5,6]-4:C-4:	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]C)(C[6]C[6,6]HO)	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(C[5,6]C[5,6]CC)(O[5,5]C[5,5,6])(C[6]C[6,6]HH)	C[5,6](C[5,6,6]C[5,5,6,6]C[6])(C[5,5,6]C[5,6]O[5,5]H)(CH3)	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]C)(C[6]C[6,6]HO){1|C<3>,3|H<1>,5|C<4>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(C[5,6]C[5,6]CC)(O[5,5]C[5,5,6])(C[6]C[6,6]HH){2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6])(C[5,5,6]C[5,6]O[5,5]H)(CH3){1|O<2>,3|C<4>,3|H<1>}	105.0360	0.000	1	105.0360	0.000	1	105.0360	0.000	1	105.0360	0.000	1	106.5790	4.762	2	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,5,6,6]	C[5,6]	4:3:4:	3:4:3:4:	3:4:1:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:	C[5,6,6]-3:C[5,6]-4:C[5,5]-3:C[6]-4:	C[5,6,6]-3:C[5,5,6]-4:H-1:	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]H)(C[6]C[6]HH)	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(C[5,6]C[5,6]SiH)(C[5,5]C[5,5,6]O)(C[6]C[6]HH)	C[5,6](C[5,6,6]C[5,5,6,6]C[6])(C[5,5,6]C[5,5]C[5,6]H)(H)	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]H)(C[6]C[6]HH){1|Si<4>,1|O<1>,2|C<4>,6|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(C[5,6]C[5,6]SiH)(C[5,5]C[5,5,6]O)(C[6]C[6]HH){1|C<3>,1|C<4>,7|H<1>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6])(C[5,5,6]C[5,5]C[5,6]H)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	108.1220	0.000	1	108.1220	0.000	1	108.1220	0.000	1	108.1220	0.000	1	106.5790	4.762	2	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,5,6]	C[5,6,6]	3:4:3:	3:4:4:1:	4:3:4:	C[5,6,6]-3:C[5,5,6]-4:N[6]-3:	C[5,6,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-3:P[4,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]P[4,6])(C[5,5,6]C[5,5]C[5,6]H)(N[6]C[6a]Ge[6])	C[5,5,6](C[5,6,6]C[5,6,6]N[6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6])(P[4,6]C[6]N[4]2)	C[5,6,6](C[5,6,6]C[5,5,6]P[4,6])(C[5,5,6]C[5,5]C[5,6]H)(N[6]C[6a]Ge[6]){1|C<4>,2|N<3>,3|C<3>,5|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]N[6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|Ge<2>,1|C<3>,1|P<4>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6])(P[4,6]C[6]N[4]2){1|Ge<2>,1|Si<4>,1|C<3>,1|P<3>,3|C<4>,5|H<1>}	107.4200	0.000	1	107.4200	0.000	1	107.4200	0.000	1	107.0245	0.313	2	106.3924	0.862	10	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,5,6]	C[5,6,6]	3:4:3:	3:4:4:1:	4:3:4:	C[5,6,6]-3:C[5,5,6]-4:N[6]-3:	C[5,6,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-3:P[5,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]P[5,6])(C[5,5,6]C[5,5]C[5,6]H)(N[6]C[6a]Ge[6])	C[5,5,6](C[5,6,6]C[5,6,6]N[6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6])(P[5,6]C[6]N[5]2)	C[5,6,6](C[5,6,6]C[5,5,6]P[5,6])(C[5,5,6]C[5,5]C[5,6]H)(N[6]C[6a]Ge[6]){1|C<4>,2|N<3>,3|C<3>,5|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]N[6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|Ge<2>,1|C<3>,1|P<4>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6])(P[5,6]C[6]N[5]2){1|Ge<2>,1|C<3>,1|P<3>,5|C<4>,5|H<1>}	106.6290	0.000	1	106.6290	0.000	1	106.6290	0.000	1	107.0245	0.313	2	106.3924	0.862	10	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,5,6]	C[5,6,6]	4:3:3:	3:2:3:4:	4:3:4:	C[5,5,6]-4:C[5,6,6]-3:N[6]-3:	C[5,6,6]-3:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6,6]-3:C[6]-4:	C[5,6,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6,6]C[5,5,6]C[6])(N[6]C[6]S)	C[5,5,6](C[5,6,6]C[5,6,6]N[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3)	C[5,6,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6,6]C[5,5,6]N[6])(C[6]C[6]HH)	C[5,6,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6,6]C[5,5,6]C[6])(N[6]C[6]S){1|C<3>,2|C<4>,5|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]N[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3){1|H<1>,1|S<4>,3|C<4>}	C[5,6,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6,6]C[5,5,6]N[6])(C[6]C[6]HH){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	106.6060	0.000	1	106.6060	0.000	1	106.6060	0.000	1	106.6060	0.000	1	106.3924	0.862	10	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,5,6]	C[5,6,6]	4:3:4:	3:2:3:4:	4:3:3:	C[5,5,6]-4:C[5,6,6]-3:C[6]-4:	C[5,6,6]-3:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6,6]-3:N[6]-3:	C[5,6,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6,6]C[5,5,6]N[6])(C[6]C[6]HH)	C[5,5,6](C[5,6,6]C[5,6,6]C[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3)	C[5,6,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6,6]C[5,5,6]C[6])(N[6]C[6]S)	C[5,6,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6,6]C[5,5,6]N[6])(C[6]C[6]HH){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3){1|N<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6,6]C[5,5,6]C[6])(N[6]C[6]S){1|C<3>,2|C<4>,5|H<1>}	104.6420	0.000	1	104.6420	0.000	1	104.6420	0.000	1	104.6420	0.000	1	106.3924	0.862	10	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,5,6]	C[5,6,6]	4:3:4:	3:3:2:1:	4:3:4:	C[5,5,6]-4:C[5,6,6]-3:C[6]-4:	C[5,6,6a]-3:C[5,6,6]-3:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6,6]-3:C[6]-4:	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6])(C[6]C[6,6a]HH)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6])(O[5,5]C[5,5,6])(H)	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6])(C[6]C[6,6a]HH)	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6])(C[6]C[6,6a]HH){3|H<1>,4|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6])(O[5,5]C[5,5,6])(H){1|C<4>,3|C<3>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6])(C[6]C[6,6a]HH){3|H<1>,4|C<3>}	105.7710	0.038	2	105.7710	0.001	2	105.7710	0.001	2	105.7710	0.001	2	106.3924	0.862	10	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,5,6]	C[5,6,6]	4:3:4:	3:4:3:1:	4:3:4:	C[5,5,6]-4:C[5,6,6]-3:C[6]-4:	C[5,6,6]-3:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-3:C[6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6])(C[6]C[6a]C[6]O)	C[5,5,6](C[5,6,6]C[5,6,6]C[6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6])(C[6]C[6a]C[6]O)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6])(C[6]C[6a]C[6]O){1|O<2>,5|C<3>,5|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6])(C[6]C[6a]C[6]O){1|O<2>,5|C<3>,5|H<1>}	107.4060	0.100	2	107.4060	0.010	2	107.4060	0.010	2	107.4060	0.010	2	106.3924	0.862	10	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,5,6]	C[5,6,6]	4:3:4:	3:4:4:1:	3:4:3:	C[5,5,6]-4:C[5,6,6]-3:P[4,6]-4:	C[5,6,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6]-3:C[5,5,6]-4:N[6]-3:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6])(P[4,6]C[6]N[4]2)	C[5,5,6](C[5,6,6]C[5,6,6]P[4,6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6,6](C[5,6,6]C[5,5,6]P[4,6])(C[5,5,6]C[5,5]C[5,6]H)(N[6]C[6a]Ge[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6])(P[4,6]C[6]N[4]2){1|Ge<2>,1|Si<4>,1|C<3>,1|P<3>,3|C<4>,5|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]P[4,6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,3|H<1>,3|N<3>}	C[5,6,6](C[5,6,6]C[5,5,6]P[4,6])(C[5,5,6]C[5,5]C[5,6]H)(N[6]C[6a]Ge[6]){1|C<4>,2|N<3>,3|C<3>,5|H<1>}	105.6050	0.000	1	105.6050	0.000	1	105.6050	0.000	1	106.1365	0.565	2	106.3924	0.862	10	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,5,6]	C[5,6,6]	4:3:4:	3:4:4:1:	3:4:3:	C[5,5,6]-4:C[5,6,6]-3:P[5,6]-4:	C[5,6,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6]-3:C[5,5,6]-4:N[6]-3:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6])(P[5,6]C[6]N[5]2)	C[5,5,6](C[5,6,6]C[5,6,6]P[5,6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6,6](C[5,6,6]C[5,5,6]P[5,6])(C[5,5,6]C[5,5]C[5,6]H)(N[6]C[6a]Ge[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6])(P[5,6]C[6]N[5]2){1|Ge<2>,1|C<3>,1|P<3>,5|C<4>,5|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]P[5,6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,3|H<1>,3|N<3>}	C[5,6,6](C[5,6,6]C[5,5,6]P[5,6])(C[5,5,6]C[5,5]C[5,6]H)(N[6]C[6a]Ge[6]){1|C<4>,2|N<3>,3|C<3>,5|H<1>}	106.6680	0.000	1	106.6680	0.000	1	106.6680	0.000	1	106.1365	0.565	2	106.3924	0.862	10	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,5,6]	4:3:4:	3:3:3:1:	4:4:3:	C[5,5,6]-4:C[5,5,6]-3:C[5,6,6]-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[5,6,6]-3:	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)	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[5,5,6]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>}	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>}	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>}	120.5430	0.000	1	120.5430	0.000	1	120.5430	0.000	1	120.5430	0.000	1	120.5430	0.000	1	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:4:	3:3:3:2:	3:3:4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:O-2:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	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]2O)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2(OC)	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]2O)	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]2O){1|O<2>,2|C<4>,6|C<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]2)2(OC){2|O<2>,3|C<4>,5|C<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]2O){1|O<2>,2|C<4>,6|C<3>}	123.6980	0.565	4	123.6980	0.319	4	123.6980	0.319	4	123.6980	0.319	4	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:4:	3:3:3:4:	3:3:4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6a]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	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[5,6,6a]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)2(CCCF)	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[5,6,6a]2C)	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[5,6,6a]2C){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)2(CCCF){1|C<4>,7|C<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[5,6,6a]2C){1|C<4>,8|C<3>}	124.7835	0.504	2	124.7835	0.254	2	124.8910	0.162	3	124.6413	0.802	14	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:4:	3:3:3:4:	3:3:4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6a]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	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[5,6,6a]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)2(CCCF)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	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[5,6,6a]2C){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)2(CCCF){1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	125.1060	0.000	1	125.1060	0.000	1	124.8910	0.162	3	124.6413	0.802	14	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:4:	3:3:3:4:	3:3:4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	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[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CCCF)	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[5,6,6a]2C)	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[5,6,6a]2C){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CCCF){1|C<4>,7|C<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[5,6,6a]2C){1|C<4>,8|C<3>}	125.5220	0.208	2	125.5220	0.043	2	124.6727	0.975	10	124.6413	0.802	14	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:4:	3:3:3:4:	3:3:4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	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[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]HH)	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[5,6,6a]2C)	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[5,6,6a]2C){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]HH){1|C<4>,7|C<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[5,6,6a]2C){1|C<4>,8|C<3>}	124.4890	1.103	2	124.4890	1.217	2	124.6727	0.975	10	124.6413	0.802	14	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:4:	3:3:3:4:	3:3:4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	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[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]HH)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	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[5,6,6a]2C){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]HH){1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	125.4600	0.000	1	125.4600	0.000	1	124.6727	0.975	10	124.6413	0.802	14	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:4:	3:3:3:4:	3:3:4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	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[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	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[5,6,6a]2C){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3){1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	124.5890	0.000	1	124.5890	0.000	1	124.6727	0.975	10	124.6413	0.802	14	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:4:	3:3:3:4:	3:3:4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CCCF)	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[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CCCF){1|C<4>,7|C<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[5,6,6a]2C){1|C<4>,8|C<3>}	125.0650	0.000	1	125.0650	0.000	1	124.6727	0.975	10	124.6413	0.802	14	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:4:	3:3:3:4:	3:3:4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]CH)	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[5,6,6a]2Si)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|Si<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]CH){1|C<4>,7|C<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[5,6,6a]2Si){1|C<4>,8|C<3>}	122.4100	0.000	1	122.4100	0.000	1	124.6727	0.975	10	124.6413	0.802	14	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:4:	3:3:3:4:	3:3:4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3)	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[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3){1|C<4>,7|C<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[5,6,6a]2C){1|C<4>,8|C<3>}	124.3790	0.000	1	124.3790	0.000	1	124.6727	0.975	10	124.6413	0.802	14	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:4:	3:3:3:4:	3:3:4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	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[5,6,6a]C[5,6,6])(CC[6a]HH)	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[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<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[5,6,6a]C[5,6,6])(CC[6a]HH){1|C<4>,7|C<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[5,6,6a]2C){1|C<4>,8|C<3>}	124.8020	0.000	1	124.8020	0.000	1	124.6727	0.975	10	124.6413	0.802	14	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:4:	3:3:3:4:	3:3:4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:Si-4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	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[5,6,6a]2Si)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(SiC[6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	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[5,6,6a]2Si){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(SiC[6a]2C){1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|Si<4>,8|C<3>}	123.5780	0.000	1	123.5780	0.000	1	123.5780	0.000	1	124.6413	0.802	14	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:4:	3:3:3:4:	3:4:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6a]-3:C-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[5,6,6a]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)2(CF3)	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)(C[5,6,6]C[5,6,6a]C[5,6,6])	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[5,6,6a]2C){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)2(CF3){1|C<4>,7|C<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)(C[5,6,6]C[5,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	124.9220	0.000	1	124.9220	0.000	1	124.9220	0.000	1	124.8650	0.006	2	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:4:	3:3:3:4:	3:4:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-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[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CCFF)	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)(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CCFF){1|C<4>,7|C<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)(C[5,6,6]C[5,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	124.8080	0.000	1	124.8080	0.000	1	124.8080	0.000	1	124.8650	0.006	2	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:4:	3:3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6a]-3:C-4:	C[5,5,6,6]-4:C[5,6,6a]-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[5,5,6,6]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(CC[6a]HH)	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(CC[6a]HH){3|C<4>,6|C<3>}	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]){1|H<1>,3|C<4>,9|C<3>}	124.7110	0.000	1	124.7110	0.000	1	124.7110	0.000	1	125.0317	0.085	3	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:4:	3:3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]2H)	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6a])(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[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]2H){1|C<4>,7|C<3>}	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]){1|N<3>,2|C<4>,9|C<3>}	125.2790	0.000	1	125.2790	0.000	1	125.1920	0.015	2	125.0317	0.085	3	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:4:	3:3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]HH)	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C){2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]HH){1|C<4>,7|C<3>}	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]){1|H<1>,3|C<4>,9|C<3>}	125.1050	0.000	1	125.1050	0.000	1	125.1920	0.015	2	125.0317	0.085	3	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:4:3:	3:3:3:2:	3:4:4:	C[5,6,6]-3:C[5,6,6]-4:C[5,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:O-2:	C[5,6,6]-3:C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6,6]C[5,6,6a]2O)(C[5,6]C[5,6]C[5])	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]C[5,6])(OO)	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6,6]C[5,6,6a]2O)(C[5,6]C[5,6]C[5]O)	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6,6]C[5,6,6a]2O)(C[5,6]C[5,6]C[5]){1|C<4>,4|O<2>,6|C<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]C[5,6])(OO){3|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6,6]C[5,6,6a]2O)(C[5,6]C[5,6]C[5]O){1|C<4>,2|O<2>,7|C<3>}	125.6420	0.000	1	125.6420	0.000	1	125.6420	0.000	1	125.6420	0.000	1	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:4:3:	3:3:3:3:	3:4:3:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C[6a]-3:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,6,6]C[5,6,6a]2C[6a])(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)(C[6a]C[6a]2)	C[5,6,6](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,6,6]C[5,6,6a]2C[6a])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,6,6]C[5,6,6a]2C[6a])(C[5,6,6]C[5,6,6]2){11|C<3>,2|C<4>}	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)(C[6a]C[6a]2){2|H<1>,3|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,6,6]C[5,6,6a]2C[6a])(C[5,6,6]C[5,6,6]2){11|C<3>,2|C<4>}	123.0440	0.433	2	123.0440	0.187	2	123.0440	0.187	2	122.9322	0.084	4	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:4:3:	3:3:3:3:	3:4:3:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:N[6]-3:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2N[6])(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)(N[6]C[6]2)	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2N[6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2N[6])(C[5,6,6]C[5,6,6]2){1|N<3>,1|O<2>,4|C<4>,7|C<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)(N[6]C[6]2){4|H<1>,5|C<3>,5|C<4>}	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2N[6])(C[5,6,6]C[5,6,6]2){1|O<2>,2|N<3>,4|C<4>,6|C<3>}	122.9060	0.000	1	122.8205	0.015	2	122.8205	0.015	2	122.9322	0.084	4	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:4:3:	3:3:3:3:	3:4:3:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:N[6]-3:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2N[6])(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)(N[6]C[6]2)	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2N[6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2N[6])(C[5,6,6]C[5,6,6]2){1|O<2>,2|N<3>,4|C<4>,6|C<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)(N[6]C[6]2){4|H<1>,5|C<3>,5|C<4>}	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2N[6])(C[5,6,6]C[5,6,6]2){1|N<3>,1|O<2>,4|C<4>,7|C<3>}	122.7350	0.000	1	122.8205	0.015	2	122.8205	0.015	2	122.9322	0.084	4	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:4:3:	3:3:3:3:	4:4:3:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C[6a]-3:	C[5,3x6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,6,6]C[5,6,6a]2C[6a])(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)(C[6a]C[6a]2)	C[5,6,6](C[5,3x6]C[5,3x6]C[5,6,6]C[6])(C[5,6,6]C[5,6,6a]2C[6a])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,6,6]C[5,6,6a]2C[6a])(C[5,6,6]C[5,6,6]2){11|C<3>,2|C<4>}	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)(C[6a]C[6a]2){2|H<1>,3|C<4>,7|C<3>}	C[5,6,6](C[5,3x6]C[5,3x6]C[5,6,6]C[6])(C[5,6,6]C[5,6,6a]2C[6a])(C[5,6,6]C[5,6,6]2){11|C<3>,1|H<1>,2|C<4>}	125.1515	0.028	2	125.1515	0.001	2	125.1515	0.001	2	124.9070	0.263	4	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:4:3:	3:3:3:3:	4:4:3:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:N[6]-3:	C[3,5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2N[6])(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)(N[6]C[6]2)	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6]C[5,6,6a]2C[6a])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2N[6])(C[5,6,6]C[5,6,6]2){1|N<3>,1|O<2>,4|C<4>,7|C<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)(N[6]C[6]2){4|H<1>,5|C<3>,5|C<4>}	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6]C[5,6,6a]2C[6a])(C[5,6,6]C[5,6,6]2){1|N<3>,2|C<4>,8|C<3>}	125.1860	0.000	1	125.1860	0.000	1	124.6625	0.548	2	124.9070	0.263	4	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:4:3:	3:3:3:3:	4:4:3:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:N[6]-3:	C[3,5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2N[6])(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)(N[6]C[6]2)	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6]C[5,6,6a]2N[6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2N[6])(C[5,6,6]C[5,6,6]2){1|O<2>,2|N<3>,4|C<4>,6|C<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)(N[6]C[6]2){4|H<1>,5|C<3>,5|C<4>}	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6]C[5,6,6a]2N[6])(C[5,6,6]C[5,6,6]2){1|N<3>,4|C<4>,6|C<3>}	124.1390	0.000	1	124.1390	0.000	1	124.6625	0.548	2	124.9070	0.263	4	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:4:3:	3:3:3:4:	3:3:3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-3: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]C)(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]2)(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(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]C)(C[5,6,6]C[5,6,6]2){2|C<4>,6|C<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]2)(CF3){2|C<4>,7|C<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]2)2{5|C<4>,6|C<3>}	123.6713	0.343	4	123.6713	0.118	4	123.6713	0.118	4	123.6713	0.118	4	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:4:3:	3:3:3:4:	3:3:4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	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)(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CCFF)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	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)(C[5,6,6]C[5,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CCFF){3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	125.0860	0.000	1	125.0860	0.000	1	124.8645	0.098	2	124.8645	0.098	2	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:4:3:	3:3:3:4:	3:3:4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	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)(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	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[5,6,6a]2C)	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)(C[5,6,6]C[5,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,6|C<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[5,6,6a]2C){1|C<4>,8|C<3>}	124.6430	0.000	1	124.6430	0.000	1	124.8645	0.098	2	124.8645	0.098	2	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:4:3:	3:3:3:4:	3:4:3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-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)(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	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)(C[5,6,6]C[5,6,6a]C[5,6,6])	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)(C[5,6,6]C[5,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,6|C<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)(C[5,6,6]C[5,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	124.9710	0.223	2	124.9710	0.050	2	124.9710	0.050	2	124.9710	0.050	2	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:4:3:	3:3:3:4:	4:3:3:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[3x6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6a]2C)(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[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[3x6]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[3x6]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	121.3290	0.102	2	121.3290	0.010	2	121.3290	0.010	2	123.0199	1.673	10	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:4:3:	3:3:3:4:	4:3:3:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6]-3:C[3x6]-3:	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6a]2C)(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[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2)(C[3x6]C[6,6,6a]2)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2)(C[3x6]C[6,6,6a]2){2|C<4>,7|C<3>}	121.0260	0.000	1	121.0260	0.000	1	121.0260	0.000	1	123.0199	1.673	10	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:4:3:	3:3:3:4:	4:3:3:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6a]2C)(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[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{3|C<4>,7|C<3>}	124.0650	0.000	1	124.1740	0.063	3	124.1740	0.063	3	123.0199	1.673	10	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:4:3:	3:3:3:4:	4:3:3:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6a]2C)(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[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{3|C<4>,7|C<3>}	124.2285	0.329	2	124.1740	0.063	3	124.1740	0.063	3	123.0199	1.673	10	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:4:3:	3:3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:C-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[5,6,6a]2)(C[5,6,6]C[5,6,6]2C)(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])(C[5,6,6]C[5,6,6]2)2(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2){3|C<4>,6|C<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]2)2(CF3){5|C<3>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	123.8060	0.000	1	123.8060	0.000	1	123.8060	0.000	1	123.0199	1.673	10	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:4:3:	3:3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C-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[6,6,6a]C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3)	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(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[6,6,6a]C)(C[5,6,6]C[5,6,6]2){2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3){2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	123.2685	0.305	2	123.2685	0.093	2	123.3957	0.095	3	123.0199	1.673	10	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:4:3:	3:3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C-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[6,6,6a]C)(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[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3)	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(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[6,6,6a]C)(C[5,6,6]C[5,6,6]2){2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3){1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	123.6500	0.000	1	123.6500	0.000	1	123.3957	0.095	3	123.0199	1.673	10	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:4:3:	3:3:3:4:	4:3:4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CCFF)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5a,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CCFF){2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5a,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	125.6010	0.000	1	125.6010	0.000	1	125.6010	0.000	1	125.6010	0.000	1	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:4:3:	3:3:3:4:	4:4:3:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]HH)	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2){3|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]HH){2|C<4>,6|C<3>}	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6]){1|H<1>,3|C<4>,9|C<3>}	125.3850	0.000	1	125.3850	0.000	1	125.3850	0.000	1	124.6875	0.973	2	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:4:3:	3:3:3:4:	4:4:3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:C-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[5,6,6]C[5,6,6]2C)(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])(C[5,6,6]C[5,6,6]2)2(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2){4|C<4>,6|C<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]2)2(CF3){4|C<3>,6|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	123.9900	0.000	1	123.9900	0.000	1	123.9900	0.000	1	124.6875	0.973	2	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:4:3:	3:3:4:1:	3:4:4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:Cl-1:	C[5,6,6]-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])(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)	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[5,6,6a]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>}	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>}	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>}	127.3400	0.000	1	127.3400	0.000	1	127.3400	0.000	1	127.3400	0.000	1	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:4:4:	3:3:3:1:	3:4:3:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:Cl-1:	C[5,6,6a]-3: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])(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)	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[5,6,6]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>}	C[5,6,6](C[5,6,6]C[5,6,6]2)3(Cl){3|Cl<1>,4|C<3>,4|C<4>}	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>}	120.9940	0.000	1	120.9940	0.000	1	120.9940	0.000	1	120.9940	0.000	1	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:4:4:	3:3:3:2:	3:4:3:	C[5,6,6]-3:C[5,6,6]-4:C[5,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:O-2:	C[5,6,6]-3:C[5,6,6]-4:C[5,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6,6]C[5,6,6a]2O)(C[5,6]C[5,6]C[5]O)	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]C[5,6])(OO)	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6,6]C[5,6,6a]2O)(C[5,6]C[5,6]C[5])	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6,6]C[5,6,6a]2O)(C[5,6]C[5,6]C[5]O){1|C<4>,2|O<2>,7|C<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]C[5,6])(OO){1|O<2>,2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6,6]C[5,6,6a]2O)(C[5,6]C[5,6]C[5]){1|C<4>,4|O<2>,6|C<3>}	122.8610	0.000	1	122.8610	0.000	1	122.8610	0.000	1	122.8610	0.000	1	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:4:4:	3:3:3:4:	4:3:3:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3: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[5,6,6a]C[3x6]C)(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]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])(C[5,6,6]C[5,6,6a]C[3x6]C)(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	122.8590	0.000	1	122.8590	0.000	1	122.8590	0.000	1	122.8590	0.000	1	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:4:4:	3:4:4:1:	3:4:4:	C[5,6,6]-3:C[5,5,6]-4:C[5,6,6]-4:	C[5,6,6]-3:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,6,6]-3:C[5,5,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6])(C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[5,6]H)	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6])(C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,6]C[5]H)(H)	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6])(C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[5,6]H)	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6])(C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[5,6]H){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6])(C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,6]C[5]H)(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6])(C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[5,6]H){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	119.3825	0.858	2	119.3825	0.736	2	119.3825	0.736	2	119.3825	0.736	2	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:4:4:	4:3:3:1:	3:4:3:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:Cl-1:	C[5,6,6a]-3: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])(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)	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[5,6,6]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>}	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>}	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>}	122.2130	0.000	1	122.2130	0.000	1	122.2130	0.000	1	122.2130	0.000	1	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	3:3:3:1:	4:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:Br-1:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]2Br)(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)(Br)	C[5,6,6](C[5,6,6]C[5,6,6a]2Br)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6a]2Br)(C[5,6,6]C[5,6,6]2)2{1|Br<1>,2|C<4>,2|O<2>,6|C<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)(Br){3|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2Br)(C[5,6,6]C[5,6,6]2)2{1|Br<1>,2|C<4>,2|O<2>,6|C<3>}	121.9050	1.059	2	121.9050	1.122	2	121.9050	1.122	2	122.9627	3.917	3	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	3:3:3:1:	4:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-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]-3: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	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)	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[5,6,6]C[5,6,6a]2Cl)(C[5,6,6]C[5,6,6]2)2{3|Cl<1>,3|C<4>,5|C<3>}	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>}	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>}	125.0780	0.000	1	125.0780	0.000	1	125.0780	0.000	1	122.9627	3.917	3	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	3:3:3:1:	4:4:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:Br-1:	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]2Br)(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)(Br)	C[5,6,6](C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2O)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]2Br)(C[5,6,6]C[5,6,6]2)2{1|Br<1>,2|C<4>,2|O<2>,6|C<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)(Br){3|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2O)(C[5,6,6]C[5,6,6]2){1|Br<1>,1|O<2>,2|C<4>,6|C<3>}	125.3215	0.349	2	125.3215	0.122	2	125.3215	0.122	2	123.9000	6.123	3	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	3:3:3:1:	4:4:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-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](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)	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{3|Cl<1>,3|C<4>,5|C<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){3|C<4>,5|C<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>}	121.0570	0.000	1	121.0570	0.000	1	121.0570	0.000	1	123.9000	6.123	3	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	3:3:3:3:	4:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C[6a]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]2C[6a])(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)(C[6a]C[6a]2)	C[5,6,6](C[5,6,6]C[5,6,6a]2C[6a])(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6a]2C[6a])(C[5,6,6]C[5,6,6]2)2{10|C<3>,1|Au<2>,2|C<4>}	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)(C[6a]C[6a]2){2|H<1>,3|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C[6a])(C[5,6,6]C[5,6,6]2)2{10|C<3>,1|Au<2>,2|C<4>}	123.6485	1.797	2	123.6485	3.228	2	123.6485	3.228	2	123.6485	3.228	2	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	3:3:3:3:	4:4:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C[6a]-3:	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]2C[6a])(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)(C[6a]C[6a]2)	C[5,6,6](C[5,6,6]C[5,6,6a]2C[6a])(C[5,6,6]C[5,6,6]2Au)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]2C[6a])(C[5,6,6]C[5,6,6]2)2{10|C<3>,1|Au<2>,2|C<4>}	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)(C[6a]C[6a]2){2|H<1>,3|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C[6a])(C[5,6,6]C[5,6,6]2Au)(C[5,6,6]C[5,6,6]2){10|C<3>,2|C<4>}	125.6960	0.953	2	125.6960	0.909	2	125.6960	0.909	2	125.6960	0.909	2	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	3:3:3:4:	3:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2)2{4|C<4>,5|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3){3|C<4>,6|C<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]2)2{5|C<4>,6|C<3>}	121.2375	0.187	4	121.2375	0.035	4	121.2375	0.035	4	121.7206	0.287	8	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	3:3:3:4:	3:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6a]C[5,6,6a]2)2(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{4|C<4>,5|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]2)2(C[5,6,6]C[5,6,6]2)(CF3){1|C<4>,7|C<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]2)2{5|C<4>,6|C<3>}	122.2310	0.000	1	122.2310	0.000	1	122.2037	0.012	4	121.7206	0.287	8	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	3:3:3:4:	3:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(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)(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{4|C<4>,5|C<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)(CF3){1|C<4>,7|C<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]2)2{5|C<4>,6|C<3>}	122.1947	0.132	3	122.1947	0.018	3	122.2037	0.012	4	121.7206	0.287	8	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	3:3:3:4:	3:4:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(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)(CF3)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{3|C<4>,7|C<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)(CF3){2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	123.0630	0.000	1	124.1007	0.810	3	124.1007	0.810	3	124.0388	0.658	6	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	3:3:3:4:	3:4:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(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)(CF3)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{3|C<4>,7|C<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)(CF3){2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	124.6195	0.074	2	124.1007	0.810	3	124.1007	0.810	3	124.0388	0.658	6	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	3:3:3:4:	3:4:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[6,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3: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]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6]2)(CF3)	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[6,6,6a]C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	C[5,6,6](C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6]2)(CF3){4|C<3>,4|C<4>}	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[6,6,6a]C)(C[5,6,6]C[5,6,6]2){2|C<4>,7|C<3>}	124.4920	0.236	2	124.4920	0.056	2	123.9770	0.824	3	124.0388	0.658	6	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	3:3:3:4:	3:4:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[6,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3: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]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(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]C[3x6])(C[5,6,6]C[5,6,6]2)(CF3)	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[6,6,6a]C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<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]C[3x6])(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,5|C<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[6,6,6a]C)(C[5,6,6]C[5,6,6]2){2|C<4>,7|C<3>}	122.9470	0.000	1	122.9470	0.000	1	123.9770	0.824	3	124.0388	0.658	6	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	3:3:3:4:	3:4:4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-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]2C)(C[5,6,6a]C[5,6,6a]2)(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[5,6,6a]C[5,6,6])(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[3x6]C)(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3){2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[3x6]C)(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	126.0810	0.000	1	126.0810	0.000	1	126.0810	0.000	1	126.0810	0.000	1	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	3:3:3:4:	4:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2)2{4|C<4>,5|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3){3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{3|C<4>,7|C<3>}	125.2150	0.408	4	125.2150	0.167	4	125.2150	0.167	4	123.6689	1.367	31	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	3:3:3:4:	4:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6a]C[5,6,6a]2)2(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{3|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]2)2(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{3|C<4>,7|C<3>}	122.5800	0.000	1	123.9755	3.895	2	123.4399	1.136	27	123.6689	1.367	31	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	3:3:3:4:	4:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6a]C[5,6,6a]2)2(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{4|C<4>,5|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]2)2(C[5,6,6]C[5,6,6]2)(CF3){1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{3|C<4>,7|C<3>}	125.3710	0.000	1	123.9755	3.895	2	123.4399	1.136	27	123.6689	1.367	31	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	3:3:3:4:	4:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6a]C[5,6,6a]2)2(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{3|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]2)2(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2)2{4|C<4>,5|C<3>}	123.7020	0.000	1	123.7020	0.000	1	123.4399	1.136	27	123.6689	1.367	31	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	3:3:3:4:	4:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(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)(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{3|C<4>,7|C<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)(CF3){2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{3|C<4>,7|C<3>}	122.8154	0.318	7	123.3983	0.989	16	123.4399	1.136	27	123.6689	1.367	31	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	3:3:3:4:	4:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(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)(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{3|C<4>,7|C<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)(CF3){2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{4|C<4>,5|C<3>}	123.6710	0.161	4	123.3983	0.989	16	123.4399	1.136	27	123.6689	1.367	31	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	3:3:3:4:	4:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(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)(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{4|C<4>,5|C<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)(CF3){1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{3|C<4>,7|C<3>}	125.1247	0.235	3	123.3983	0.989	16	123.4399	1.136	27	123.6689	1.367	31	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	3:3:3:4:	4:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(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)(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{4|C<4>,7|C<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)(CF3){3|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{4|C<4>,7|C<3>}	122.3035	0.166	2	123.3983	0.989	16	123.4399	1.136	27	123.6689	1.367	31	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	3:3:3:4:	4:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(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)(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{3|C<4>,7|C<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)(CF3){2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2)2{4|C<4>,5|C<3>}	123.9503	0.206	3	123.9503	0.042	3	123.4399	1.136	27	123.6689	1.367	31	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	3:3:3:4:	4:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(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)(CF3)	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{3|C<4>,7|C<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)(CF3){2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	122.5113	0.436	3	122.5113	0.190	3	123.4399	1.136	27	123.6689	1.367	31	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	3:3:3:4:	4:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(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)(CSiHH)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{1|H<1>,4|C<4>,6|C<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)(CSiHH){3|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{1|H<1>,4|C<4>,6|C<3>}	123.7325	2.476	2	123.7325	6.129	2	123.4399	1.136	27	123.6689	1.367	31	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	3:3:3:4:	4:3:4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]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])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C){3|C<4>,6|C<3>}	125.0500	0.000	1	125.0500	0.000	1	125.4499	0.265	8	125.1965	1.030	17	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	3:3:3:4:	4:3:4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]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])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	125.5070	0.528	7	125.5070	0.278	7	125.4499	0.265	8	125.1965	1.030	17	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	3:3:3:4:	4:3:4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:P-4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]P)(C[5,6,6a]C[5,6,6a]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])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(PC[6a]2Os)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2H)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]P)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){2|C<4>,2|H<1>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(PC[6a]2Os){1|Os<5>,3|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2H){2|P<4>,8|C<3>}	121.5590	0.000	1	121.5590	0.000	1	121.5590	0.000	1	125.1965	1.030	17	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	3:3:3:4:	4:3:4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6a]-3:C-4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]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])(C[5,6,6a]C[5,6,6a]2)2(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)2(CF3){2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	125.3060	0.000	1	125.3060	0.000	1	125.3060	0.000	1	125.1965	1.030	17	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	3:3:3:4:	4:3:4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(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[5,6,6a]C[5,6,6])(CCFF)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CCFF){2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	125.5570	0.000	1	125.5570	0.000	1	125.4110	0.092	7	125.1965	1.030	17	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	3:3:3:4:	4:3:4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(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[5,6,6a]C[5,6,6])(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3){2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	125.2935	0.368	4	125.2935	0.136	4	125.4110	0.092	7	125.1965	1.030	17	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	3:3:3:4:	4:3:4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(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[5,6,6a]C[5,6,6])(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[3x6]C)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3){2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[3x6]C){2|C<4>,7|C<3>}	125.4880	0.000	1	125.4880	0.000	1	125.4110	0.092	7	125.1965	1.030	17	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	3:3:3:4:	4:3:4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(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[5,6,6a]C[5,6,6])(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3){2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	125.6580	0.000	1	125.6580	0.000	1	125.4110	0.092	7	125.1965	1.030	17	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	3:3:3:4:	4:4:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-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]2C)(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)(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{4|C<4>,7|C<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)(CF3){3|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2){3|C<4>,6|C<3>}	125.1470	0.000	1	125.1470	0.000	1	124.5542	0.270	4	125.1821	0.732	9	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	3:3:3:4:	4:4:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-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]2C)(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)(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{4|C<4>,7|C<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)(CF3){3|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2){3|C<4>,6|C<3>}	124.7400	0.000	1	124.7400	0.000	1	124.5542	0.270	4	125.1821	0.732	9	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	3:3:3:4:	4:4:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-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]2C)(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)(CSiHH)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2H)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{1|H<1>,4|C<4>,6|C<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)(CSiHH){3|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2H)(C[5,6,6]C[5,6,6]2){4|C<4>,6|C<3>}	124.1650	0.348	2	124.1650	0.121	2	124.5542	0.270	4	125.1821	0.732	9	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	3:3:3:4:	4:4:3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-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]C)(C[5,6,6a]C[5,6,6a]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])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6a]C[5,6,6]){1|C<4>,8|C<3>}	125.1385	0.117	2	125.7233	1.033	3	125.7233	1.033	3	125.1821	0.732	9	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	3:3:3:4:	4:4:3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-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]C)(C[5,6,6a]C[5,6,6a]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])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	126.8930	0.000	1	125.7233	1.033	3	125.7233	1.033	3	125.1821	0.732	9	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	3:3:3:4:	4:4:3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6a]-3:C-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]2C)(C[5,6,6a]C[5,6,6a]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])(C[5,6,6a]C[5,6,6a]2)2(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)2(CF3){2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6a]C[5,6,6]){1|C<4>,8|C<3>}	125.8780	0.000	1	125.8780	0.000	1	125.8780	0.000	1	125.1821	0.732	9	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	3:3:3:4:	4:4:3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-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]2C)(C[5,6,6a]C[5,6,6a]2)(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[5,6,6a]C[5,6,6])(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3){2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6a]C[5,6,6]){1|C<4>,8|C<3>}	125.3740	0.000	1	125.3740	0.000	1	125.3740	0.000	1	125.1821	0.732	9	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	3:4:3:1:	4:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-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]-3: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	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)	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[5,6,6]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>}	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>}	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>}	121.7890	0.000	1	121.7890	0.000	1	121.7890	0.000	1	121.7890	0.000	1	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	3:4:3:1:	4:4:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-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](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)	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{4|Cl<1>,2|C<4>,6|C<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){3|C<4>,5|C<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>}	129.1580	0.000	1	129.1580	0.000	1	129.1580	0.000	1	129.1580	0.000	1	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:4:	3:3:3:1:	4:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:H-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2H)	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)(H)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]P)(C[5,6,6a]C[5,6,6a]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]H)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2H){2|P<4>,8|C<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)(H){1|H<1>,2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]P)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){2|C<4>,2|H<1>,6|C<3>}	124.7030	0.000	1	124.7030	0.000	1	124.7030	0.000	1	124.7030	0.000	1	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:4:	3:3:3:2:	4:4:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:O-2:	C[3,5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6]O)(C[5,6,6]C[3,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2O)	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)(OO)	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6]O)(C[5,6,6]C[3,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2O){2|C<4>,3|O<2>,6|C<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)(OO){1|O<2>,4|C<3>,4|C<4>}	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2){2|C<4>,3|O<2>,6|C<3>}	123.1620	0.000	1	123.1620	0.000	1	123.1620	0.000	1	123.1620	0.000	1	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:4:	3:3:3:4:	3:4:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5a,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)(CCFF)	C[5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5a,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)(CCFF){2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	122.7280	0.000	1	122.7280	0.000	1	122.7280	0.000	1	122.7280	0.000	1	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:4:	3:3:3:4:	4:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C)	C[5,6,6](C[5,6,6]C[5,6,6]2)3(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]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]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C){3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]2)3(CF3){5|C<3>,6|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	122.1960	0.000	1	122.1960	0.000	1	122.1960	0.000	1	122.4866	11.090	17	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:4:	3:3:3:4:	4:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]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]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	109.7480	0.000	1	109.7480	0.000	1	116.9375	103.378	2	122.4866	11.090	17	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:4:	3:3:3:4:	4:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[3x6]C)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]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]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[3x6]C){2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	124.1270	0.000	1	124.1270	0.000	1	116.9375	103.378	2	122.4866	11.090	17	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:4:	3:3:3:4:	4:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6,6a]2)2(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]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]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]2)2(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	123.5195	0.486	2	123.5195	0.236	2	123.3001	0.240	14	122.4866	11.090	17	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:4:	3:3:3:4:	4:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	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)(CCFF)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]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]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<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)(CCFF){2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	122.7370	0.000	1	122.7370	0.000	1	123.3001	0.240	14	122.4866	11.090	17	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:4:	3:3:3:4:	4:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	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)(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]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]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<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)(CF3){2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	123.0926	0.384	5	123.0926	0.148	5	123.3001	0.240	14	122.4866	11.090	17	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:4:	3:3:3:4:	4:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	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)(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]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]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<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)(CF3){2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	123.5574	0.574	5	123.5574	0.330	5	123.3001	0.240	14	122.4866	11.090	17	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:4:	3:3:3:4:	4:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(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]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	123.1750	0.000	1	123.1750	0.000	1	123.3001	0.240	14	122.4866	11.090	17	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:1:	4:3:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-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]-3: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)	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[5,6,6]C[5,6,6]2Cl)2(C[5,6,6]C[5,6,6]2){2|Cl<1>,4|C<3>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]2)3(Cl){3|Cl<1>,4|C<3>,4|C<4>}	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>}	121.8490	0.000	1	121.8490	0.000	1	121.8490	0.000	1	122.5790	1.066	2	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:1:	4:3:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-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]-3: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[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(Cl)	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[5,6,6]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>}	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>}	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>}	123.3090	0.000	1	123.3090	0.000	1	123.3090	0.000	1	122.5790	1.066	2	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:1:	4:4:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-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](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)	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[5,6,6a]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>}	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>}	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>}	120.2790	0.000	1	120.2790	0.000	1	122.3807	3.442	3	122.2443	1.035	15	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:1:	4:4:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-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](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)	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[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>}	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>}	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>}	123.4315	0.508	2	123.4315	0.258	2	122.3807	3.442	3	122.2443	1.035	15	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:1:	4:4:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-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]-3:	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)	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[5,6,6]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>}	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>}	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>}	123.2275	0.274	2	123.2275	0.075	2	122.0576	0.953	8	122.2443	1.035	15	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:1:	4:4:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-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]-3:	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)	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[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>}	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>}	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>}	122.3035	0.626	2	122.3035	0.392	2	122.0576	0.953	8	122.2443	1.035	15	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:1:	4:4:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-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]-3:	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)	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[5,6,6]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>}	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>}	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>}	120.9285	0.746	2	120.9285	0.557	2	122.0576	0.953	8	122.2443	1.035	15	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:1:	4:4:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-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]-3:	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)	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[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>}	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>}	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>}	121.7710	0.272	2	121.7710	0.074	2	122.0576	0.953	8	122.2443	1.035	15	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:1:	4:4:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-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]-3:	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)	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[5,6,6]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>}	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>}	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>}	122.7485	0.168	2	122.7485	0.028	2	122.5152	0.104	4	122.2443	1.035	15	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:1:	4:4:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-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]-3:	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)	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[5,6,6]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>}	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>}	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>}	122.2820	0.257	2	122.2820	0.066	2	122.5152	0.104	4	122.2443	1.035	15	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:2:	4:3:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:O-2:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2O)(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)(OC)	C[5,6,6](C[5,6,6]C[5,6,6a]2Br)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2O)(C[5,6,6]C[5,6,6]2){1|Br<1>,1|O<2>,2|C<4>,6|C<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)(OC){1|O<2>,2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2Br)(C[5,6,6]C[5,6,6]2)2{1|Br<1>,2|C<4>,2|O<2>,6|C<3>}	124.0785	1.542	2	124.0785	2.378	2	124.0785	2.378	2	124.0785	2.378	2	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:2:	4:3:4:	C[3,5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:O-2:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6]C[5,6,6a]2O)(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[3,5,6,6]C[5,6,6])(OH)	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6]O)(C[5,6,6]C[3,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2O)	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2){2|C<4>,3|O<2>,6|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[3,5,6,6]C[5,6,6])(OH){1|O<2>,4|C<3>,4|C<4>}	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6]O)(C[5,6,6]C[3,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2O){2|C<4>,3|O<2>,6|C<3>}	125.2630	0.000	1	125.2630	0.000	1	125.2630	0.000	1	125.2630	0.000	1	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:2:	4:4:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:O-2:	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]2O)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])(C[5,6,6]C[5,6,6]2)2(OC)	C[5,6,6](C[5,6,6]C[5,6,6]2O)2(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6]2O)2(C[5,6,6]C[5,6,6]2){2|C<4>,2|O<2>,6|C<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]2)2(OC){2|O<2>,3|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]2O)2(C[5,6,6]C[5,6,6]2){2|C<4>,2|O<2>,6|C<3>}	123.2843	0.214	4	123.2843	0.046	4	123.2843	0.046	4	123.6726	0.227	8	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:2:	4:4:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:O-2:	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]2O)(C[5,6,6]C[5,6,6]2O)(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)(OC)	C[5,6,6](C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2O)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2O)(C[5,6,6]C[5,6,6]2){2|O<2>,8|C<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)(OC){1|O<2>,2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2O)(C[5,6,6]C[5,6,6]2){2|O<2>,8|C<3>}	124.0610	0.286	4	124.0610	0.082	4	124.0610	0.082	4	123.6726	0.227	8	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:3:	3:4:3:	C[3,5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C[6a]-3:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6]C[5,6,6a]2C[6a])(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[3,5,6,6]C[5,6,6])(C[6a]C[6a]2)	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2N[6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6]C[5,6,6a]2C[6a])(C[5,6,6]C[5,6,6]2){1|N<3>,2|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[3,5,6,6]C[5,6,6])(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,8|C<3>}	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2N[6])(C[5,6,6]C[5,6,6]2){1|N<3>,1|O<2>,4|C<4>,7|C<3>}	124.8560	0.000	1	124.8560	0.000	1	124.8560	0.000	1	124.9380	0.132	4	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:3:	3:4:3:	C[3,5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:N[6]-3:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6]C[5,6,6a]2N[6])(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[3,5,6,6]C[5,6,6])(N[6]C[6]2)	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2N[6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6]C[5,6,6a]2N[6])(C[5,6,6]C[5,6,6]2){1|N<3>,4|C<4>,6|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[3,5,6,6]C[5,6,6])(N[6]C[6]2){1|O<2>,4|C<4>,4|H<1>,6|C<3>}	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2N[6])(C[5,6,6]C[5,6,6]2){1|O<2>,2|N<3>,4|C<4>,6|C<3>}	125.4710	0.000	1	125.4710	0.000	1	125.4710	0.000	1	124.9380	0.132	4	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:3:	3:4:3:	C[5,3x6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C[6a]-3:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,3x6]C[5,3x6]C[5,6,6]C[6])(C[5,6,6]C[5,6,6a]2C[6a])(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[5,3x6]C[5,6,6])(C[6a]C[6a]2)	C[5,6,6](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,6,6]C[5,6,6a]2C[6a])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,3x6]C[5,3x6]C[5,6,6]C[6])(C[5,6,6]C[5,6,6a]2C[6a])(C[5,6,6]C[5,6,6]2){11|C<3>,1|H<1>,2|C<4>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,3x6]C[5,6,6])(C[6a]C[6a]2){2|C<4>,2|H<1>,9|C<3>}	C[5,6,6](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,6,6]C[5,6,6a]2C[6a])(C[5,6,6]C[5,6,6]2){11|C<3>,2|C<4>}	124.7125	0.046	2	124.7125	0.002	2	124.7125	0.002	2	124.9380	0.132	4	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:3:	4:3:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C[6a]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]2C[6a])(C[5,6,6]C[5,6,6]2Au)(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)(C[6a]C[6a]2)	C[5,6,6](C[5,6,6]C[5,6,6a]2C[6a])(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6a]2C[6a])(C[5,6,6]C[5,6,6]2Au)(C[5,6,6]C[5,6,6]2){10|C<3>,2|C<4>}	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)(C[6a]C[6a]2){1|Au<2>,2|C<4>,2|H<1>,8|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C[6a])(C[5,6,6]C[5,6,6]2)2{10|C<3>,1|Au<2>,2|C<4>}	123.2120	0.252	2	123.2120	0.063	2	123.2120	0.063	2	123.2120	0.063	2	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:4:	3:3:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:P-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Os)(C[5,6,6]C[5,6,6a]C[5,6,6]P)(C[5,6,6]C[5,6,6a]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(PC[6a]2Os)	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)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Os)(C[5,6,6]C[5,6,6a]C[5,6,6]P)(C[5,6,6]C[5,6,6a]2){8|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(PC[6a]2Os){1|Os<5>,3|C<4>,5|C<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){1|Os<5>,1|C<4>,1|P<4>,7|C<3>}	125.0430	0.000	1	125.0430	0.000	1	125.0430	0.000	1	125.0430	0.000	1	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:4:	3:4:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3: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]C)2(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3)	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2C)(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]C)2(C[5,6,6]C[5,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3){4|C<4>,6|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2){4|C<4>,6|C<3>}	122.3510	0.000	1	122.3510	0.000	1	122.3510	0.000	1	122.3510	0.000	1	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:4:	4:3:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2){3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3){4|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{4|C<4>,7|C<3>}	124.2670	0.000	1	124.2670	0.000	1	124.2670	0.000	1	123.7403	0.702	9	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:4:	4:3:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]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]C)2(C[5,6,6]C[5,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3){4|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	122.8490	0.000	1	122.8490	0.000	1	123.1922	0.133	5	123.7403	0.702	9	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:4:	4:3:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6a]C[5,6,6])	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]2)(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]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]C)2(C[5,6,6]C[5,6,6a]C[5,6,6]){1|C<4>,8|C<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]2)(CF3){2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	123.0930	0.392	2	123.0930	0.153	2	123.1922	0.133	5	123.7403	0.702	9	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:4:	4:3:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6a]C[5,6,6])	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]2)(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]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]C)2(C[5,6,6]C[5,6,6a]C[5,6,6]){1|C<4>,8|C<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]2)(CF3){2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	123.4630	0.304	2	123.4630	0.092	2	123.1922	0.133	5	123.7403	0.702	9	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:4:	4:3:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2C)(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)(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2){3|C<4>,6|C<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)(CF3){2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{4|C<4>,7|C<3>}	123.9970	0.000	1	123.9970	0.000	1	124.4783	0.835	3	123.7403	0.702	9	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:4:	4:3:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2H)(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)(CSiHH)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2H)(C[5,6,6]C[5,6,6]2){4|C<4>,6|C<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)(CSiHH){1|H<1>,2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{1|H<1>,4|C<4>,6|C<3>}	124.7190	1.150	2	124.7190	1.322	2	124.4783	0.835	3	123.7403	0.702	9	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:4:	4:4:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:C-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]2C)2(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6]2)3(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6]2C)2(C[5,6,6]C[5,6,6]2){5|C<3>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]2)3(CF3){5|C<3>,6|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	124.6390	0.000	1	124.6390	0.000	1	123.8790	1.155	2	122.8799	0.545	14	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:4:	4:4:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:C-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]2C)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])(C[5,6,6]C[5,6,6]2)2(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6]2C)2(C[5,6,6]C[5,6,6]2){5|C<3>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2(CF3){4|C<3>,6|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	123.1190	0.000	1	123.1190	0.000	1	123.8790	1.155	2	122.8799	0.545	14	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:4:	4:4:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-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]C)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])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6](C[5,6,6]C[5,6,6]2C)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]C)2(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]2C)2(C[5,6,6]C[5,6,6]2){5|C<3>,5|C<4>}	122.0920	0.000	1	122.0920	0.000	1	122.0920	0.000	1	122.8799	0.545	14	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:4:	4:4:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-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]C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2C)(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]C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3){5|C<3>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	123.5370	0.000	1	123.5370	0.000	1	123.2565	0.157	2	122.8799	0.545	14	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:4:	4:4:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-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]C)2(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3)	C[5,6,6](C[5,6,6]C[5,6,6]2C)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]C)2(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3){4|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]2C)2(C[5,6,6]C[5,6,6]2){5|C<3>,5|C<4>}	122.9760	0.000	1	122.9760	0.000	1	123.2565	0.157	2	122.8799	0.545	14	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:4:	4:4:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-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]2C)(C[5,6,6]C[5,6,6]2C)(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)(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<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)(CF3){3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	123.1330	0.000	1	123.1330	0.000	1	123.1330	0.000	1	122.8799	0.545	14	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:4:	4:4:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C-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]C)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)(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)2(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]C)2(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<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)(CF3){4|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)2(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	122.9010	0.000	1	122.9010	0.000	1	122.6583	0.340	6	122.8799	0.545	14	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:4:	4:4:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C-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]C)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)(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)2(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]C)2(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<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)(CF3){4|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)2(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	122.5080	0.873	3	122.5080	0.762	3	122.6583	0.340	6	122.8799	0.545	14	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:4:	4:4:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C-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]C)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[6,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)2(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]C)2(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[6,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)2(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	122.6400	0.000	1	122.6400	0.000	1	122.6583	0.340	6	122.8799	0.545	14	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:4:	4:4:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C-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]C)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)(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)2(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]C)2(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<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)(CF3){3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)2(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	122.8850	0.000	1	122.8850	0.000	1	122.6583	0.340	6	122.8799	0.545	14	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:3:3:4:	4:4:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[6,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-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]C)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[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)2(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]C)2(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)2(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	122.4360	0.643	2	122.4360	0.414	2	122.4360	0.414	2	122.8799	0.545	14	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:4:3:1:	4:4:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-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](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)	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]2Cl)(C[5,6,6]C[5,6,6]2){3|Cl<1>,2|C<4>,6|C<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){1|Cl<1>,2|C<4>,6|C<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>}	127.6800	0.000	1	127.6800	0.000	1	127.6800	0.000	1	127.6800	0.000	1	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	4:3:3:1:	3:4:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:Cl-1:	C[6,6,6a]-3:C[5,5,6]-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[5,5,6]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)	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[5,6,6](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>}	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>}	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>}	121.7800	0.000	1	121.7800	0.000	1	121.7800	0.000	1	121.7800	0.000	1	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	4:3:3:1:	4:4:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-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]-3:	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)	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[5,6,6]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>}	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>}	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>}	123.6700	0.328	2	123.6700	0.108	2	123.6700	0.108	2	123.6700	0.108	2	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	4:3:3:4:	3:3:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:P-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Os)(C[5,6,6]C[5,6,6a]C[5,6,6]P)(C[5,6,6]C[5,6,6a]2)	C[5,6,6](C[5,6,6]C[5,6,6a]2H)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(PC[6a]2Os)	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)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Os)(C[5,6,6]C[5,6,6a]C[5,6,6]P)(C[5,6,6]C[5,6,6a]2){1|H<1>,8|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2H)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(PC[6a]2Os){1|Os<5>,1|C<4>,7|C<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){1|Os<5>,1|P<4>,2|C<4>,6|C<3>}	124.5020	0.000	1	124.5020	0.000	1	124.5020	0.000	1	124.5020	0.000	1	123.6953	3.021	228	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6]	3:4:3:	3:3:3:2:	3:4:3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6]-3:O-2:	C[5,6,6]-3:C[5]-4:C[6]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6]C[5,6,6a]C[5,6]O)(C[5,6]C[5]C[6])	C[5,6,6](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6]C[5,6,6a]C[5,6])(C[5,6]C[5]C[6])(OH)	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5]C[5,6a]HH)(C[6]C[6]O)	C[5,6,6](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6]C[5,6,6a]C[5,6]O)(C[5,6]C[5]C[6]){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6]C[5,6,6a]C[5,6])(C[5,6]C[5]C[6])(OH){1|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5]C[5,6a]HH)(C[6]C[6]O){1|H<1>,1|O<2>,4|C<3>}	125.1265	0.057	2	125.1265	0.003	2	125.1265	0.003	2	125.1265	0.003	2	124.6997	1.895	8	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6]	3:4:3:	3:3:3:2:	4:3:3:	C[5,6,6]-3:C[5,6,6]-4:C[5,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:O-2:	C[5,6]-4:C[5,6,6]-3:C[5]-3:	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6,6]C[5,6,6a]2O)(C[5,6]C[5,6]C[5])	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]C[5,6])(OO)	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6,6]C[5,6,6]2)(C[5]C[5,6]O)	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6,6]C[5,6,6a]2O)(C[5,6]C[5,6]C[5]){1|C<4>,4|O<2>,6|C<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]C[5,6])(OO){3|C<4>,5|C<3>}	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6,6]C[5,6,6]2)(C[5]C[5,6]O){2|C<4>,2|O<2>,5|C<3>}	122.5660	0.000	1	122.5660	0.000	1	122.5660	0.000	1	122.5660	0.000	1	124.6997	1.895	8	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6,6]-4:C[5,6]-3:C[5,6]-3:	C[5,6a]-3:C[5,6]-3:C[5,6,6]-3:C[6]-3:	C[5,6,6]-3:C[5,6a]-3:C[5,6]-3:	C[5,6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[5,6]C[5,6a]C[5,6])2	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5,6,6]C[5,6]2)(C[6]C[5,6]C[6a])	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])	C[5,6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[5,6]C[5,6a]C[5,6])2{10|C<3>}	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5,6,6]C[5,6]2)(C[6]C[5,6]C[6a]){10|C<3>,1|H<1>,1|O<1>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]){1|Cl<1>,1|H<1>,8|C<3>}	125.5500	0.000	1	124.4155	2.574	2	124.4155	2.574	2	124.4155	2.574	2	124.6997	1.895	8	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6,6]-4:C[5,6]-3:C[5,6]-3:	C[5,6a]-3:C[5,6]-3:C[5,6,6]-3:C[6]-3:	C[5,6,6]-3:C[5,6a]-3:C[5,6]-3:	C[5,6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[5,6]C[5,6a]C[5,6])2	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5,6,6]C[5,6]2)(C[6]C[5,6]C[6a])	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])	C[5,6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[5,6]C[5,6a]C[5,6])2{10|C<3>}	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5,6,6]C[5,6]2)(C[6]C[5,6]C[6a]){10|C<3>,1|H<1>,1|O<1>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]){1|H<1>,1|O<1>,8|C<3>}	123.2810	0.000	1	124.4155	2.574	2	124.4155	2.574	2	124.4155	2.574	2	124.6997	1.895	8	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6]	4:4:3:	4:3:4:1:	3:3:3:	C[5,6,6]-4:C[5,5,6]-4:C[5,6]-3:	C[5,5,6]-4:C[5,6,6]-3:Si[5,6]-4:H-1:	C[5,6,6]-3:C[5,6]-3:C[5]-3:	C[5,6,6](C[5,6,6]C[5,5,6]Si[5,6]H)(C[5,5,6]Si[3x5]C[5,6]H)(C[5,6]C[5,6]C[5])	C[5,6,6](C[5,5,6]Si[3x5]C[5,6]H)(C[5,6,6]C[5,5,6]C[5,6])(Si[5,6]C[5]2O[6])(H)	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6])(C[5,6]C[5]O[6])(C[5]C[6a]C[5])	C[5,6,6](C[5,6,6]C[5,5,6]Si[5,6]H)(C[5,5,6]Si[3x5]C[5,6]H)(C[5,6]C[5,6]C[5]){1|O<2>,2|H<1>,4|C<3>,4|C<4>}	C[5,6,6](C[5,5,6]Si[3x5]C[5,6]H)(C[5,6,6]C[5,5,6]C[5,6])(Si[5,6]C[5]2O[6])(H){4|Si<4>,2|H<1>,3|C<3>,4|C<4>}	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6])(C[5,6]C[5]O[6])(C[5]C[6a]C[5]){2|Si<4>,1|C<4>,2|H<1>,5|C<3>}	123.8220	0.000	1	123.8220	0.000	1	123.8220	0.000	1	123.8220	0.000	1	124.6997	1.895	8	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6]	4:4:3:	4:3:4:4:	3:4:3:	C[5,6,6]-4:C[5,6]-4:C[5,6]-3:	C[5,6]-4:C[5,6,6]-3:C[5]-4:C[6]-4:	C[5,6,6]-3:C[6]-4:C[5]-3:	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])	C[5,6,6](C[5,6]C[5]C[6]O)(C[5,6,6]C[5,6]2)(C[5]C[5]HO)(C[6]C[6]HH)	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]O)	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6]){1|O<1>,2|O<2>,4|C<4>,9|H<1>}	C[5,6,6](C[5,6]C[5]C[6]O)(C[5,6,6]C[5,6]2)(C[5]C[5]HO)(C[6]C[6]HH){1|C<3>,3|C<4>,9|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]O){4|C<4>,5|H<1>}	125.3140	0.000	1	125.3140	0.000	1	125.3140	0.000	1	125.3140	0.000	1	124.6997	1.895	8	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6]	4:4:3:	4:4:3:2:	3:3:3:	C[5,6,6]-4:C[5,6]-4:C[5,6]-3:	C[5,6]-4:C[5,6]-4:C[5,6,6]-3:O-2:	C[5,6,6]-3:C[5]-3:C[6]-3:	C[5,6,6](C[5,6,6]C[5,6]2O)(C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6])	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[5,6,6]C[5,6]2)(OH)	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[5]C[5a]C[5])(C[6]C[6]O)	C[5,6,6](C[5,6,6]C[5,6]2O)(C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]){1|O<1>,1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[5,6,6]C[5,6]2)(OH){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[5]C[5a]C[5])(C[6]C[6]O){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	126.8120	0.000	1	126.8120	0.000	1	126.8120	0.000	1	126.8120	0.000	1	124.6997	1.895	8	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[3x5,6,6]	C[5,6]	4:3:1:	4:4:3:4:	4:3:1:	C[3x5,6,6]-4:C[5,6]-3:H-1:	C[3,5,5,6,6]-4:C[4x5]-4:C[5,6]-3:C[6]-4:	C[3x5,6]-4:C[5,6]-3:H-1:	C[5,6](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[6])(C[5,6]C[3x5,6]H)(H)	C[3x5,6,6](C[3,5,5,6,6]C[3,5,5,6]C[3,5,5]C[6])(C[4x5]C[3x5,6]O[5,5]O)(C[5,6]C[5,6]H)(C[6]C[6]HH)	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]H)(C[5,6]C[3x5,6,6]H)(H)	C[5,6](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[6])(C[5,6]C[3x5,6]H)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[3x5,6,6](C[3,5,5,6,6]C[3,5,5,6]C[3,5,5]C[6])(C[4x5]C[3x5,6]O[5,5]O)(C[5,6]C[5,6]H)(C[6]C[6]HH){1|Sn<4>,1|C<3>,6|H<1>}	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]H)(C[5,6]C[3x5,6,6]H)(H){1|H<1>,2|O<2>,3|C<4>}	108.5310	0.000	1	108.5745	0.004	2	108.5745	0.004	2	108.5745	0.004	2	108.0337	0.715	4	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[3x5,6,6]	C[5,6]	4:3:1:	4:4:3:4:	4:3:1:	C[3x5,6,6]-4:C[5,6]-3:H-1:	C[3,5,5,6,6]-4:C[4x5]-4:C[5,6]-3:C[6]-4:	C[3x5,6]-4:C[5,6]-3:H-1:	C[5,6](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[6])(C[5,6]C[3x5,6]H)(H)	C[3x5,6,6](C[3,5,5,6,6]C[3,5,5,6]C[3,5,5]C[6])(C[4x5]C[3x5,6]O[5,5]O)(C[5,6]C[5,6]H)(C[6]C[6]HH)	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]H)(C[5,6]C[3x5,6,6]H)(H)	C[5,6](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[6])(C[5,6]C[3x5,6]H)(H){2|O<2>,3|H<1>,4|C<4>}	C[3x5,6,6](C[3,5,5,6,6]C[3,5,5,6]C[3,5,5]C[6])(C[4x5]C[3x5,6]O[5,5]O)(C[5,6]C[5,6]H)(C[6]C[6]HH){1|Sn<4>,1|C<4>,7|H<1>}	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]H)(C[5,6]C[3x5,6,6]H)(H){1|H<1>,2|O<2>,3|C<4>}	108.6180	0.000	1	108.5745	0.004	2	108.5745	0.004	2	108.5745	0.004	2	108.0337	0.715	4	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[3x5,6,6]	C[5,6]	4:3:1:	4:4:4:3:	4:3:1:	C[3x5,6,6]-4:C[5,6]-3:H-1:	C[3,5,5,6,6]-4:C[4x5]-4:C[6]-4:C[5,6]-3:	C[3x5,6]-4:C[5,6]-3:H-1:	C[5,6](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[6])(C[5,6]C[3x5,6]H)(H)	C[3x5,6,6](C[3,5,5,6,6]C[3,5,5,6]C[3,5,5]C[6])(C[4x5]C[3x5,6]O[5,5]O)(C[6]C[6,6a]HH)(C[5,6]C[5,6]H)	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]H)(C[5,6]C[3x5,6,6]H)(H)	C[5,6](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[6])(C[5,6]C[3x5,6]H)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[3x5,6,6](C[3,5,5,6,6]C[3,5,5,6]C[3,5,5]C[6])(C[4x5]C[3x5,6]O[5,5]O)(C[6]C[6,6a]HH)(C[5,6]C[5,6]H){1|Sn<4>,2|C<3>,5|H<1>}	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]H)(C[5,6]C[3x5,6,6]H)(H){1|H<1>,2|O<2>,3|C<4>}	108.1900	0.000	1	108.1900	0.000	1	108.1900	0.000	1	108.1900	0.000	1	108.0337	0.715	4	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[3x5,6,6]	C[5,6]	4:3:4:	4:4:3:1:	4:3:4:	C[3x5,6,6]-4:C[5,6]-3:C-4:	C[3x5,6,6]-4:C[4,3x5,6]-4:C[5,6]-3:H-1:	C[4,5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[3x5,6,6]C[3x5,6,6]C[4,3x5,6]H)(C[5,6]C[4,5,5,6]C)(CC3)	C[3x5,6,6](C[3x5,6,6]C[4,3x5,6]C[5,6]H)(C[4,3x5,6]C[4,5,5,6]2C)(C[5,6]C[5,6]C)(H)	C[5,6](C[4,5,5,6]C[4,3x5,6]2H)(C[5,6]C[3x5,6,6]C)(CC3)	C[5,6](C[3x5,6,6]C[3x5,6,6]C[4,3x5,6]H)(C[5,6]C[4,5,5,6]C)(CC3){1|C<3>,2|H<1>,3|C<4>}	C[3x5,6,6](C[3x5,6,6]C[4,3x5,6]C[5,6]H)(C[4,3x5,6]C[4,5,5,6]2C)(C[5,6]C[5,6]C)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[4,5,5,6]C[4,3x5,6]2H)(C[5,6]C[3x5,6,6]C)(CC3){1|H<1>,4|C<4>}	106.7960	0.000	1	106.7960	0.000	1	106.7960	0.000	1	106.7960	0.000	1	108.0337	0.715	4	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[3x5,6]	C[5,5,6]	4:3:1:	4:3:3:3:	4:3:4:	C[3x5,6]-4:C[5,5,6]-3:H-1:	C[5,5,6]-4:C[5,5]-3:C[5,6]-3:N[5]-3:	C[3x5,6]-4:C[5,6]-3:C[5]-4:	C[5,6](C[3x5,6]C[5,5,6]C[5,5]N[5])(C[5,5,6]C[3x5,6]C[5])(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5]C[3x5,6]C)(C[5,6]C[5,5,6]H)(N[5]C[5]S)	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[3x5,6]H)(C[5]C[5]HH)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]N[5])(C[5,5,6]C[3x5,6]C[5])(H){1|C<3>,1|S<4>,3|H<1>,5|C<4>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5]C[3x5,6]C)(C[5,6]C[5,5,6]H)(N[5]C[5]S){2|C<4>,6|H<1>}	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[3x5,6]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	104.8740	0.000	1	104.8740	0.000	1	104.8740	0.000	1	104.8740	0.000	1	105.8495	1.903	2	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[3x5,6]	C[5,5,6]	4:3:1:	4:4:3:1:	4:3:4:	C[3x5,6]-4:C[5,5,6]-3:H-1:	C[3,5,5,6]-4:C[4x5]-4:C[5,6]-3:H-1:	C[4x5,6]-4:C[5,6]-3:C[5]-4:	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]H)(C[5,5,6]C[4x5,6]C[5])(H)	C[3x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)(C[4x5]C[4x5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[4x5,6]C[3,5,5,6]C[4x5]C[5])(C[5,6]C[3x5,6]H)(C[5]O[5]HH)	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]H)(C[5,5,6]C[4x5,6]C[5])(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[3x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)(C[4x5]C[4x5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){2|C<3>,2|C<4>}	C[5,5,6](C[4x5,6]C[3,5,5,6]C[4x5]C[5])(C[5,6]C[3x5,6]H)(C[5]O[5]HH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	106.8250	0.000	1	106.8250	0.000	1	106.8250	0.000	1	106.8250	0.000	1	105.8495	1.903	2	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[3x5,6]	C[5,6]	4:3:1:	4:2:3:4:	4:3:1:	C[3x5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[3x5,6]C[3x5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H)	C[3x5,6](C[3x5,6]C[3x5,6]C[5,6]C[5])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]O[5]HH)	C[5,6](C[5,5,6]C[3x5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	C[5,6](C[3x5,6]C[3x5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H){1|O<2>,3|C<4>,3|H<1>}	C[3x5,6](C[3x5,6]C[3x5,6]C[5,6]C[5])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]O[5]HH){2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[3x5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){4|C<4>}	105.1740	0.000	1	105.1740	0.000	1	105.0705	0.021	2	105.0753	0.274	37	105.8830	2.930	62	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[3x5,6]	C[5,6]	4:3:1:	4:2:3:4:	4:3:1:	C[3x5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[3x5,6]C[3x5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H)	C[3x5,6](C[3x5,6]C[5,5,6]C[5,5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	C[5,6](C[3x5,6]C[3x5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H){1|N<3>,2|C<4>,4|H<1>}	C[3x5,6](C[3x5,6]C[5,5,6]C[5,5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	104.9670	0.000	1	104.9670	0.000	1	105.0705	0.021	2	105.0753	0.274	37	105.8830	2.930	62	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[3x5,6]	C[5,6]	4:3:1:	4:2:3:4:	4:3:1:	C[3x5,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[3x5,6]C[5,5,6,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H)	C[3x5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH)	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	C[5,6](C[3x5,6]C[5,5,6,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H){1|N<3>,2|C<4>,4|H<1>}	C[3x5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	105.1610	0.000	1	105.1610	0.000	1	105.1610	0.000	1	105.0753	0.274	37	105.8830	2.930	62	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[3x5,6]	C[5,6]	4:3:1:	4:2:3:4:	4:3:1:	C[3x5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]Br)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H){1|Br<1>,1|N<3>,2|C<4>,3|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]Br)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH){1|S<4>,6|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){2|C<4>,2|H<1>}	105.2205	0.129	2	105.2205	0.017	2	105.0731	0.298	34	105.0753	0.274	37	105.8830	2.930	62	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[3x5,6]	C[5,6]	4:3:1:	4:2:3:4:	4:3:1:	C[3x5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]Br)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]S[5]HH)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H){1|Br<1>,1|S<2>,2|C<4>,3|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]Br)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]S[5]HH){6|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){2|C<4>,2|H<1>}	105.7240	0.000	1	105.6180	0.022	2	105.0731	0.298	34	105.0753	0.274	37	105.8830	2.930	62	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[3x5,6]	C[5,6]	4:3:1:	4:2:3:4:	4:3:1:	C[3x5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]Br)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]S[5]HH)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H){1|Br<1>,1|S<4>,2|C<4>,3|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]Br)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]S[5]HH){2|O<1>,6|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){2|C<4>,2|H<1>}	105.5120	0.000	1	105.6180	0.022	2	105.0731	0.298	34	105.0753	0.274	37	105.8830	2.930	62	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[3x5,6]	C[5,6]	4:3:1:	4:2:3:4:	4:3:1:	C[3x5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH){1|C<3>,1|S<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){2|C<4>,2|H<1>}	104.6870	0.000	1	104.6870	0.000	1	105.0731	0.298	34	105.0753	0.274	37	105.8830	2.930	62	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[3x5,6]	C[5,6]	4:3:1:	4:2:3:4:	4:3:1:	C[3x5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]O[5]HH)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]O[5]HH){1|O<1>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){2|C<4>,2|H<1>}	104.7870	0.000	1	104.7870	0.000	1	105.0731	0.298	34	105.0753	0.274	37	105.8830	2.930	62	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[3x5,6]	C[5,6]	4:3:1:	4:2:3:4:	4:3:1:	C[3x5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]Cl)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[3x5,6]H)(H)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H){1|Cl<1>,1|N<3>,2|H<1>,3|C<4>}	C[3x5,6](C[5,5,6]C[5,6]C[5]Cl)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH){1|C<4>,1|S<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[3x5,6]H)(H){2|C<4>,2|H<1>}	105.3825	1.068	2	105.3825	1.142	2	105.0731	0.298	34	105.0753	0.274	37	105.8830	2.930	62	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[3x5,6]	C[5,6]	4:3:1:	4:2:3:4:	4:3:1:	C[3x5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]Cl)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H){1|Cl<1>,1|N<3>,2|C<4>,3|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]Cl)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH){1|S<4>,6|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){2|C<4>,2|H<1>}	105.3740	0.000	1	105.3740	0.000	1	105.0731	0.298	34	105.0753	0.274	37	105.8830	2.930	62	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[3x5,6]	C[5,6]	4:3:1:	4:2:3:4:	4:3:1:	C[3x5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]Cl)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]S[5]HH)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H){1|Cl<1>,1|S<2>,2|C<4>,3|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]Cl)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]S[5]HH){6|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){2|C<4>,2|H<1>}	106.2980	0.000	1	105.4435	1.460	2	105.0731	0.298	34	105.0753	0.274	37	105.8830	2.930	62	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[3x5,6]	C[5,6]	4:3:1:	4:2:3:4:	4:3:1:	C[3x5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]Cl)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]S[5]HH)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H){1|Cl<1>,1|S<4>,2|C<4>,3|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]Cl)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]S[5]HH){2|O<1>,6|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){2|C<4>,2|H<1>}	104.5890	0.000	1	105.4435	1.460	2	105.0731	0.298	34	105.0753	0.274	37	105.8830	2.930	62	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[3x5,6]	C[5,6]	4:3:1:	4:2:3:4:	4:3:1:	C[3x5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H){1|C<3>,2|C<4>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]C[5]HH){3|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){1|C<3>,2|C<4>}	105.4220	0.000	1	105.4220	0.000	1	105.0731	0.298	34	105.0753	0.274	37	105.8830	2.930	62	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[3x5,6]	C[5,6]	4:3:1:	4:2:3:4:	4:3:1:	C[3x5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]CH)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[3x5,6]H)(H)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]CH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[3x5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	103.9700	0.547	2	103.9700	0.300	2	105.0731	0.298	34	105.0753	0.274	37	105.8830	2.930	62	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[3x5,6]	C[5,6]	4:3:1:	4:2:3:4:	4:3:1:	C[3x5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]CH)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]CH){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	104.9545	0.392	2	104.9073	0.077	4	105.0731	0.298	34	105.0753	0.274	37	105.8830	2.930	62	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[3x5,6]	C[5,6]	4:3:1:	4:2:3:4:	4:3:1:	C[3x5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]CH)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]CH){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	104.8600	0.260	2	104.9073	0.077	4	105.0731	0.298	34	105.0753	0.274	37	105.8830	2.930	62	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[3x5,6]	C[5,6]	4:3:1:	4:2:3:4:	4:3:1:	C[3x5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[3x5,6]H)(H)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H){1|N<3>,3|C<4>,3|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH){1|C<4>,1|S<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[3x5,6]H)(H){2|C<4>,2|H<1>}	105.3070	0.096	2	105.3070	0.009	2	105.0731	0.298	34	105.0753	0.274	37	105.8830	2.930	62	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[3x5,6]	C[5,6]	4:3:1:	4:2:3:4:	4:3:1:	C[3x5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	104.7915	0.279	8	104.8456	0.095	9	105.0731	0.298	34	105.0753	0.274	37	105.8830	2.930	62	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[3x5,6]	C[5,6]	4:3:1:	4:2:3:4:	4:3:1:	C[3x5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH){1|C<3>,1|S<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){1|C<3>,2|C<4>}	105.2780	0.000	1	104.8456	0.095	9	105.0731	0.298	34	105.0753	0.274	37	105.8830	2.930	62	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[3x5,6]	C[5,6]	4:3:1:	4:2:3:4:	4:3:1:	C[3x5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HP)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H){1|N<3>,1|P<4>,2|C<4>,3|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HP){1|C<3>,6|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){2|C<4>,2|H<1>}	105.0170	0.239	2	105.0170	0.057	2	105.0731	0.298	34	105.0753	0.274	37	105.8830	2.930	62	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[3x5,6]	C[5,6]	4:3:1:	4:2:3:4:	4:3:1:	C[3x5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]S[5]CH)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H){1|S<2>,3|C<4>,3|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]S[5]CH){6|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){2|C<4>,2|H<1>}	105.8530	0.000	1	105.8530	0.000	1	105.0731	0.298	34	105.0753	0.274	37	105.8830	2.930	62	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[3x5,6]	C[5,6]	4:3:1:	4:2:3:4:	4:3:1:	C[3x5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H)	C[3x5,6](C[5,5,6]C[5,6]C[6a]C[5])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[6a]C[5])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH){1|S<4>,3|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){1|C<3>,2|C<4>}	105.6030	0.044	2	105.6030	0.002	2	105.0731	0.298	34	105.0753	0.274	37	105.8830	2.930	62	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[3x5,6]	C[5,6]	4:3:1:	4:3:2:3:	4:3:1:	C[3x5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:O[5,5]-2:C[5,6]-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5,6]C[5,5,6]H)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]C)(C[5,6]C[6,6a]N[5,6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5,6]C[5,5,6]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[3x5,6](C[5,5,6]C[5,6]C[5]C)(C[5,6]C[6,6a]N[5,6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H){1|C<4>,2|C<3>,6|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	103.6310	0.000	1	103.6310	0.000	1	103.6310	0.000	1	103.6310	0.000	1	105.8830	2.930	62	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[3x5,6]	C[5,6]	4:3:1:	4:4:2:3:	4:3:1:	C[3x5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5]-4:O[5,5]-2:C[5,6]-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[3x5,6]C[5,5,6]C[5,5]O[5,5])(C[5,6]C[5,5,6]H)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5]N[5,5]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]O[5,5])(C[5,6]C[5,5,6]H)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5]N[5,5]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	104.9670	0.512	2	104.9670	0.262	2	104.9670	0.262	2	104.7675	0.135	8	105.8830	2.930	62	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[3x5,6]	C[5,6]	4:3:1:	4:4:2:3:	4:3:1:	C[3x5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:C[5,6]-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5,6]C[5,5,6]H)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]N[5,6]N[6]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5,6]C[5,5,6]H)(H){1|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]N[5,6]N[6]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H){4|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	104.6240	0.000	1	104.6240	0.000	1	104.4780	0.043	2	104.7675	0.135	8	105.8830	2.930	62	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[3x5,6]	C[5,6]	4:3:1:	4:4:2:3:	4:3:1:	C[3x5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:C[5,6]-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5,6]C[5,5,6]H)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]N[5,6]O[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5,6]C[5,5,6]H)(H){1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]N[5,6]O[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H){2|C<3>,6|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){2|C<4>,2|H<1>}	104.3320	0.000	1	104.3320	0.000	1	104.4780	0.043	2	104.7675	0.135	8	105.8830	2.930	62	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[3x5,6]	C[5,6]	4:3:1:	4:4:2:3:	4:3:1:	C[3x5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5]-4:O[5,5]-2:C[5,6]-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]C)(C[5]C[6a]N[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[3x5,6](C[5,5,6]C[5,6]C[5]C)(C[5]C[6a]N[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H){1|S<4>,3|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){1|C<3>,2|C<4>}	105.3290	0.000	1	105.3290	0.000	1	104.9143	0.131	3	104.7675	0.135	8	105.8830	2.930	62	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[3x5,6]	C[5,6]	4:3:1:	4:4:2:3:	4:3:1:	C[3x5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5]-4:O[5,5]-2:C[5,6]-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5]C[5a]N[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5]C[5a]N[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	104.7070	0.068	2	104.7070	0.005	2	104.9143	0.131	3	104.7675	0.135	8	105.8830	2.930	62	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[3x5,6]	C[5,6]	4:3:1:	4:4:2:3:	4:3:1:	C[3x5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:C[5,5,6]-4:O[5,5]-2:C[5,6]-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5,6]C[5,5,6]H)(H)	C[3x5,6](C[5,6]C[5a,6]N[5,6]H)(C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[3x5,6]H)(H)	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5,6]C[5,5,6]H)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[3x5,6](C[5,6]C[5a,6]N[5,6]H)(C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[3x5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	104.5070	0.000	1	104.5070	0.000	1	104.5070	0.000	1	104.7675	0.135	8	105.8830	2.930	62	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[3x5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x5,6]-4:C[5,6]-3:H-1:	C[3,5,5,6]-4:C[4x5]-4:C[5,6]-3:H-1:	C[3x5,6,6]-4:C[5,6]-3:H-1:	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]H)(C[5,6]C[3x5,6,6]H)(H)	C[3x5,6](C[3,5,5,6]C[3,5,5,6,6]C[3,5,5]H)(C[4x5]C[3x5,6,6]O[5,5]O)(C[5,6]C[5,6]H)(H)	C[5,6](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[6])(C[5,6]C[3x5,6]H)(H)	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]H)(C[5,6]C[3x5,6,6]H)(H){1|H<1>,2|O<2>,3|C<4>}	C[3x5,6](C[3,5,5,6]C[3,5,5,6,6]C[3,5,5]H)(C[4x5]C[3x5,6,6]O[5,5]O)(C[5,6]C[5,6]H)(H){1|Sn<4>,1|H<1>,2|C<4>}	C[5,6](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[6])(C[5,6]C[3x5,6]H)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	108.5785	0.005	2	108.4103	0.085	3	108.4103	0.085	3	108.4103	0.085	3	105.8830	2.930	62	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[3x5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x5,6]-4:C[5,6]-3:H-1:	C[3,5,5,6]-4:C[4x5]-4:C[5,6]-3:H-1:	C[3x5,6,6]-4:C[5,6]-3:H-1:	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]H)(C[5,6]C[3x5,6,6]H)(H)	C[3x5,6](C[3,5,5,6]C[3,5,5,6,6]C[3,5,5]H)(C[4x5]C[3x5,6,6]O[5,5]O)(C[5,6]C[5,6]H)(H)	C[5,6](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[6])(C[5,6]C[3x5,6]H)(H)	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]H)(C[5,6]C[3x5,6,6]H)(H){1|H<1>,2|O<2>,3|C<4>}	C[3x5,6](C[3,5,5,6]C[3,5,5,6,6]C[3,5,5]H)(C[4x5]C[3x5,6,6]O[5,5]O)(C[5,6]C[5,6]H)(H){1|Sn<4>,1|H<1>,2|C<4>}	C[5,6](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[6])(C[5,6]C[3x5,6]H)(H){2|O<2>,3|H<1>,4|C<4>}	108.0740	0.000	1	108.4103	0.085	3	108.4103	0.085	3	108.4103	0.085	3	105.8830	2.930	62	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[3x5,6]	C[5,6]	4:3:1:	6:4:4:3:	4:3:1:	C[3x5,6]-4:C[5,6]-3:H-1:	B[4x3,4,6x5,21x6]-6:C[5,5,6]-4:C[5,5]-4:C[5,6]-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[3x5,6]B[4x3,4,6x5,21x6]C[5,5,6]C[5,5])(C[5,6]C[5,5,6]H)(H)	C[3x5,6](B[4x3,4,6x5,21x6]C[3x3,4,3x5,14x6]C[3x3,4,4x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[5,5,6]C[5,6]S[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]H)(H)	C[5,6](C[3x5,6]B[4x3,4,6x5,21x6]C[5,5,6]C[5,5])(C[5,6]C[5,5,6]H)(H){1|C<4>,1|S<2>,2|C<5>,3|B<6>,4|H<1>}	C[3x5,6](B[4x3,4,6x5,21x6]C[3x3,4,3x5,14x6]C[3x3,4,4x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[5,5,6]C[5,6]S[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H){1|C<3>,1|S<2>,5|B<6>,6|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]H)(H){1|B<6>,1|C<3>,1|C<4>,3|H<1>}	108.4463	0.171	3	108.4895	0.027	4	108.4895	0.027	4	108.0210	0.738	10	105.8830	2.930	62	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[3x5,6]	C[5,6]	4:3:1:	6:4:4:3:	4:3:1:	C[3x5,6]-4:C[5,6]-3:H-1:	B[4x3,4,6x5,21x6]-6:C[5,5,6]-4:C[5,5]-4:C[5,6]-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[3x5,6]B[4x3,4,6x5,21x6]C[5,5,6]C[5,5])(C[5,6]C[5,5,6]H)(H)	C[3x5,6](B[4x3,4,6x5,21x6]C[3x3,4,3x5,14x6]C[3x3,4,4x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[5,5,6]C[5,6]S[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]H)(H)	C[5,6](C[3x5,6]B[4x3,4,6x5,21x6]C[5,5,6]C[5,5])(C[5,6]C[5,5,6]H)(H){1|C<4>,1|S<3>,2|C<5>,3|B<6>,4|H<1>}	C[3x5,6](B[4x3,4,6x5,21x6]C[3x3,4,3x5,14x6]C[3x3,4,4x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[5,5,6]C[5,6]S[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H){1|Co<5>,1|C<3>,1|S<2>,5|B<6>,6|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]H)(H){1|B<6>,1|C<3>,1|C<4>,3|H<1>}	108.6190	0.000	1	108.4895	0.027	4	108.4895	0.027	4	108.0210	0.738	10	105.8830	2.930	62	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[3x5,6]	C[5,6]	4:3:1:	6:4:4:3:	4:3:1:	C[3x5,6]-4:C[5,6]-3:H-1:	B[5x3,6x5,20x6]-6:C[5,5,6]-4:C[5,5]-4:C[5,6]-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[3x5,6]B[5x3,6x5,20x6]C[5,5,6]C[5,5])(C[5,6]C[5,5,6]H)(H)	C[3x5,6](B[5x3,6x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,6x5,20x6])(C[5,5,6]C[5,6]S[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]H)(H)	C[5,6](C[3x5,6]B[5x3,6x5,20x6]C[5,5,6]C[5,5])(C[5,6]C[5,5,6]H)(H){1|C<4>,1|S<2>,2|C<6>,3|B<6>,4|H<1>}	C[3x5,6](B[5x3,6x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,6x5,20x6])(C[5,5,6]C[5,6]S[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H){1|C<3>,5|B<6>,7|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]H)(H){1|B<6>,1|C<3>,1|C<4>,3|H<1>}	106.7930	1.554	2	107.7087	1.020	6	107.7087	1.020	6	108.0210	0.738	10	105.8830	2.930	62	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[3x5,6]	C[5,6]	4:3:1:	6:4:4:3:	4:3:1:	C[3x5,6]-4:C[5,6]-3:H-1:	B[5x3,6x5,20x6]-6:C[5,5,6]-4:C[5,5]-4:C[5,6]-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[3x5,6]B[5x3,6x5,20x6]C[5,5,6]C[5,5])(C[5,6]C[5,5,6]H)(H)	C[3x5,6](B[5x3,6x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,6x5,20x6])(C[5,5,6]C[5,6]S[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]H)(H)	C[5,6](C[3x5,6]B[5x3,6x5,20x6]C[5,5,6]C[5,5])(C[5,6]C[5,5,6]H)(H){1|C<4>,1|S<3>,2|C<6>,3|B<6>,4|H<1>}	C[3x5,6](B[5x3,6x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,6x5,20x6])(C[5,5,6]C[5,6]S[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H){1|Co<7>,1|C<3>,1|S<2>,5|B<6>,6|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]H)(H){1|B<6>,1|C<3>,1|C<4>,3|H<1>}	108.1665	0.237	4	107.7087	1.020	6	107.7087	1.020	6	108.0210	0.738	10	105.8830	2.930	62	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[3x5,6]	C[5,6]	4:3:4:	4:4:3:1:	4:3:4:	C[3x5,6]-4:C[5,6]-3:C-4:	C[5,5,6,6]-4:P[3x5,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,6]-3:C-4:	C[5,6](C[3x5,6]C[5,5,6,6]P[3x5,6]H)(C[5,6]C[5,5,6,6]C)(CH3)	C[3x5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(P[3x5,6]C[5,5,6,6]C[5,6]S)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6,6]C[5,6,6]P[3x5,6]H)(C[5,6]C[3x5,6]C)(CH3)	C[5,6](C[3x5,6]C[5,5,6,6]P[3x5,6]H)(C[5,6]C[5,5,6,6]C)(CH3){1|S<1>,2|H<1>,3|C<4>}	C[3x5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(P[3x5,6]C[5,5,6,6]C[5,6]S)(C[5,6]C[5,6]C)(H){1|C<4>,7|H<1>}	C[5,6](C[5,5,6,6]C[5,6,6]P[3x5,6]H)(C[5,6]C[3x5,6]C)(CH3){1|S<1>,2|C<4>,3|H<1>}	111.1450	0.000	1	111.1450	0.000	1	111.0915	0.006	2	111.0915	0.006	2	105.8830	2.930	62	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[3x5,6]	C[5,6]	4:3:4:	4:4:3:1:	4:3:4:	C[3x5,6]-4:C[5,6]-3:C-4:	C[5,5,6,6]-4:P[3x5,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,6]-3:C-4:	C[5,6](C[3x5,6]C[5,5,6,6]P[3x5,6]H)(C[5,6]C[5,5,6,6]C)(CH3)	C[3x5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(P[3x5,6]C[5,5,6,6]O[5,6]S)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6,6]C[5,6,6]P[3x5,6]H)(C[5,6]C[3x5,6]C)(CH3)	C[5,6](C[3x5,6]C[5,5,6,6]P[3x5,6]H)(C[5,6]C[5,5,6,6]C)(CH3){1|O<2>,1|S<1>,2|C<4>,2|H<1>}	C[3x5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(P[3x5,6]C[5,5,6,6]O[5,6]S)(C[5,6]C[5,6]C)(H){1|C<4>,5|H<1>}	C[5,6](C[5,5,6,6]C[5,6,6]P[3x5,6]H)(C[5,6]C[3x5,6]C)(CH3){1|C<4>,1|O<2>,1|S<1>,3|H<1>}	111.0380	0.000	1	111.0380	0.000	1	111.0915	0.006	2	111.0915	0.006	2	105.8830	2.930	62	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[3x5,6]	C[5,6]	4:3:4:	4:4:3:4:	4:3:4:	C[3x5,6]-4:C[5,6]-3:C-4:	C[4,3x5]-4:C[5,5,6]-4:C[5,6]-3:C-4:	C[4,5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[3x5,6]C[4,3x5]C[5,5,6]C)(C[5,6]C[4,5,5,6]C)(CH3)	C[3x5,6](C[4,3x5]C[4,5,5,6]P[4,5]C)(C[5,5,6]C[4,5,5,6]CH)(C[5,6]C[5,6]C)(CH3)	C[5,6](C[4,5,5,6]C[4,5,5,6]C[4,3x5]C)(C[5,6]C[3x5,6]C)(CH3)	C[5,6](C[3x5,6]C[4,3x5]C[5,5,6]C)(C[5,6]C[4,5,5,6]C)(CH3){1|C<3>,1|H<1>,1|P<4>,3|C<4>}	C[3x5,6](C[4,3x5]C[4,5,5,6]P[4,5]C)(C[5,5,6]C[4,5,5,6]CH)(C[5,6]C[5,6]C)(CH3){1|H<1>,1|O<2>,1|W<6>,2|C<4>}	C[5,6](C[4,5,5,6]C[4,5,5,6]C[4,3x5]C)(C[5,6]C[3x5,6]C)(CH3){1|H<1>,1|P<4>,3|C<4>}	107.5660	0.000	1	107.5660	0.000	1	107.5660	0.000	1	107.5660	0.000	1	105.8830	2.930	62	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6,6]	C[5,6]	4:3:1:	3:2:3:4:	4:3:1:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,6,6]-3:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]C[6]HH)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H)	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]C[6]HH){1|N<3>,7|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	105.7160	0.000	1	105.7160	0.000	1	105.7980	0.021	3	105.7980	0.021	3	106.3643	2.340	62	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6,6]	C[5,6]	4:3:1:	3:2:3:4:	4:3:1:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,6,6]-3:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H)	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH){1|C<4>,1|S<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	105.8390	0.178	2	105.8390	0.032	2	105.7980	0.021	3	105.7980	0.021	3	106.3643	2.340	62	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6,6]	C[5,6]	4:3:1:	4:2:3:4:	4:3:1:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH)	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H)	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H){1|C<3>,3|C<4>}	105.1437	0.105	4	105.1310	0.089	12	105.1857	0.093	22	105.3394	0.246	26	106.3643	2.340	62	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6,6]	C[5,6]	4:3:1:	4:2:3:4:	4:3:1:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH)	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H)	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H){1|N<3>,3|C<4>,3|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH){1|C<3>,1|O<2>,1|S<4>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H){4|C<4>}	104.9483	0.186	6	105.1310	0.089	12	105.1857	0.093	22	105.3394	0.246	26	106.3643	2.340	62	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6,6]	C[5,6]	4:3:1:	4:2:3:4:	4:3:1:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH)	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H)	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H){1|N<3>,3|C<4>,3|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H){4|C<4>}	105.6535	0.156	2	105.1310	0.089	12	105.1857	0.093	22	105.3394	0.246	26	106.3643	2.340	62	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6,6]	C[5,6]	4:3:1:	4:2:3:4:	4:3:1:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH)	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H)	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H){1|N<3>,2|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH){1|C<3>,1|O<2>,1|S<4>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H){1|H<1>,3|C<4>}	105.0080	0.000	1	105.1020	0.019	6	105.1857	0.093	22	105.3394	0.246	26	106.3643	2.340	62	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6,6]	C[5,6]	4:3:1:	4:2:3:4:	4:3:1:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH)	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H)	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H){1|N<3>,2|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H){1|H<1>,3|C<4>}	105.2270	0.014	2	105.1020	0.019	6	105.1857	0.093	22	105.3394	0.246	26	106.3643	2.340	62	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6,6]	C[5,6]	4:3:1:	4:2:3:4:	4:3:1:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH)	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H)	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H){1|N<3>,2|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H){1|H<1>,3|C<4>}	105.0500	0.149	3	105.1020	0.019	6	105.1857	0.093	22	105.3394	0.246	26	106.3643	2.340	62	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6,6]	C[5,6]	4:3:1:	4:2:3:4:	4:3:1:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]O[6]HH)	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H)	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H){1|O<2>,2|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]O[6]HH){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H){1|H<1>,3|C<4>}	105.3640	0.401	3	105.3640	0.161	3	105.1857	0.093	22	105.3394	0.246	26	106.3643	2.340	62	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6,6]	C[5,6]	4:3:1:	4:2:3:4:	4:3:1:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]S[6]HH)	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H)	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H){1|S<2>,2|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]S[6]HH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H){1|H<1>,3|C<4>}	105.8100	0.000	1	105.8100	0.000	1	105.1857	0.093	22	105.3394	0.246	26	106.3643	2.340	62	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6,6]	C[5,6]	4:3:1:	4:2:3:4:	4:3:1:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]C[6]HO)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H)	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]C[6]HO){1|C<4>,1|O<1>,6|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H){2|C<4>,2|H<1>}	106.3000	0.000	1	106.3000	0.000	1	106.1847	0.274	4	105.3394	0.246	26	106.3643	2.340	62	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6,6]	C[5,6]	4:3:1:	4:2:3:4:	4:3:1:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]C[6]HH)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H)	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]C[6]HH){1|C<3>,1|N<3>,6|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H){1|C<3>,2|C<4>}	106.8040	0.000	1	106.8040	0.000	1	106.1847	0.274	4	105.3394	0.246	26	106.3643	2.340	62	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6,6]	C[5,6]	4:3:1:	4:2:3:4:	4:3:1:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]C[6]HO)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H)	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]C[6]HO){1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H){2|C<4>,2|H<1>}	105.5380	0.000	1	105.5380	0.000	1	106.1847	0.274	4	105.3394	0.246	26	106.3643	2.340	62	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6,6]	C[5,6]	4:3:1:	4:2:3:4:	4:3:1:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H)	C[5,5,6,6](C[5,6,6]C[5,6]S[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]C[6]HH)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H)	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H){1|S<4>,2|C<4>,4|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]S[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]C[6]HH){1|O<2>,2|O<1>,6|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H){2|C<4>,2|H<1>}	106.0970	0.000	1	106.0970	0.000	1	106.1847	0.274	4	105.3394	0.246	26	106.3643	2.340	62	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6,6]	C[5,6]	4:3:1:	4:3:2:3:	4:3:1:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,5,3x6]-4:C[6,6a]-3:O[5,5]-2:C[5,6]-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6,6]C[5,5,3x6]C[6,6a]O[5,5])(C[5,6]C[5,5,6]H)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2C)(C[6,6a]C[6,6a,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H)	C[5,6](C[5,5,6,6]C[5,5,3x6]C[6,6a]O[5,5])(C[5,6]C[5,5,6]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2C)(C[6,6a]C[6,6a,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H){2|C<3>,2|C<4>}	105.5715	0.059	2	105.5715	0.003	2	105.6523	0.021	3	105.6523	0.021	3	106.3643	2.340	62	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6,6]	C[5,6]	4:3:1:	4:3:2:3:	4:3:1:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,5,3x6]-4:C[6,6a]-3:O[5,5]-2:C[5,6]-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6,6]C[5,5,3x6]C[6,6a]O[5,5])(C[5,6]C[5,5,6]H)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[6,6a]C[6,6a,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H)	C[5,6](C[5,5,6,6]C[5,5,3x6]C[6,6a]O[5,5])(C[5,6]C[5,5,6]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[6,6a]C[6,6a,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	105.8140	0.000	1	105.8140	0.000	1	105.6523	0.021	3	105.6523	0.021	3	106.3643	2.340	62	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6,6]	C[5,6]	4:3:1:	4:4:2:3:	4:3:1:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,5,3x6]-4:C[6,6]-4:O[5,5]-2:C[5,6]-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6,6]C[5,5,3x6]C[6,6]O[5,5])(C[5,6]C[5,5,6]H)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[6,6]N[6,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H)	C[5,6](C[5,5,6,6]C[5,5,3x6]C[6,6]O[5,5])(C[5,6]C[5,5,6]H)(H){1|N<3>,3|C<4>,3|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[6,6]N[6,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H){1|H<1>,3|C<4>}	105.1140	0.000	1	105.1140	0.000	1	105.1140	0.000	1	105.1140	0.000	1	106.3643	2.340	62	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,5,3x6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6,6]H)(C[5,6]C[5,5,6,6]H)(H)	C[5,5,6,6](C[5,5,6,6]C[5,5,6,6]C[6,6]H)(C[5,5,3x6]C[5,5,3x6]2H)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6,6]H)(C[5,6]C[5,5,6,6]H)(H)	C[5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6,6]H)(C[5,6]C[5,5,6,6]H)(H){3|C<4>,3|H<1>}	C[5,5,6,6](C[5,5,6,6]C[5,5,6,6]C[6,6]H)(C[5,5,3x6]C[5,5,3x6]2H)(C[5,6]C[5,6]H)(H){3|C<4>,6|H<1>}	C[5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6,6]H)(C[5,6]C[5,5,6,6]H)(H){3|C<4>,3|H<1>}	107.6274	0.149	14	107.6274	0.022	14	107.6227	0.020	16	107.6227	0.020	16	106.3643	2.340	62	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,5,3x6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6,6]H)(C[5,6]C[5,5,6,6]H)(H)	C[5,5,6,6](C[5,5,6,6]C[5,5,6,6]C[6,6]H)(C[5,5,3x6]C[5,5,3x6]2I)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6,6]H)(C[5,6]C[5,5,6,6]H)(H)	C[5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6,6]H)(C[5,6]C[5,5,6,6]H)(H){1|I<1>,2|H<1>,3|C<4>}	C[5,5,6,6](C[5,5,6,6]C[5,5,6,6]C[6,6]H)(C[5,5,3x6]C[5,5,3x6]2I)(C[5,6]C[5,6]H)(H){1|I<1>,3|C<4>,5|H<1>}	C[5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6,6]H)(C[5,6]C[5,5,6,6]H)(H){1|I<1>,2|H<1>,3|C<4>}	107.5895	0.077	2	107.5895	0.006	2	107.6227	0.020	16	107.6227	0.020	16	106.3643	2.340	62	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:3:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,5,6]C)(H)	C[5,5,6,6](C[5,6,6]C[6,6a]C[5,6]H)(C[5,5,6]C[5,5,6]C[6]O)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]H)(CCH)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,5,6]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,5,6,6](C[5,6,6]C[6,6a]C[5,6]H)(C[5,5,6]C[5,5,6]C[6]O)(C[5,6]C[5,6]H)(H){1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]H)(CCH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	108.5050	0.000	1	108.5050	0.000	1	108.5050	0.000	1	108.5050	0.000	1	106.3643	2.340	62	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6,6]	C[5,6]	4:3:2:	4:3:4:3:	4:3:3:	C[5,5,6,6]-4:C[5,6]-3:C-2:	C[5,6,6]-4:C[6,6a]-3:C[5,5]-4:C[5,6]-3:	C[5,5,6]-4:C[5,6]-3:N-3:	C[5,6](C[5,5,6,6]C[5,6,6]C[6,6a]C[5,5])(C[5,6]C[5,5,6]N)(CN)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6,6]C)(NHH)	C[5,6](C[5,5,6,6]C[5,6,6]C[6,6a]C[5,5])(C[5,6]C[5,5,6]N)(CN){2|C<4>,3|C<3>,3|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6,6]C)(NHH){1|C<4>,2|C<3>,3|H<1>}	107.7560	0.000	1	107.7560	0.000	1	107.7560	0.000	1	107.7560	0.000	1	106.3643	2.340	62	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6,6]	C[5,6]	4:3:3:	4:2:3:4:	4:3:3:	C[5,5,6,6]-4:C[5,6]-3:C-3:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]C)(COO)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6]N[6]HH)	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]C)(COO)	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]C)(COO){1|N<3>,2|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6]N[6]HH){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]C)(COO){1|H<1>,3|C<4>}	104.9030	0.000	1	104.9030	0.000	1	104.9030	0.000	1	104.9030	0.000	1	106.3643	2.340	62	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6,6]	C[5,6]	4:3:3:	4:4:2:3:	4:3:3:	C[5,5,6,6]-4:C[5,6]-3:C-3:	C[5,5,3x6]-4:C[6,6]-4:O[5,5]-2:C[5,6]-3:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,6](C[5,5,6,6]C[5,5,3x6]C[6,6]O[5,5])(C[5,6]C[5,5,6]C)(COO)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[6,6]N[6,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]C)(COO)	C[5,6](C[5,5,6,6]C[5,5,3x6]C[6,6]O[5,5])(C[5,6]C[5,5,6]C)(COO){1|N<3>,3|C<4>,3|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[6,6]N[6,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C){1|O<2>,3|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]C)(COO){1|H<1>,3|C<4>}	105.0870	0.000	1	105.0870	0.000	1	105.0870	0.000	1	105.0870	0.000	1	106.3643	2.340	62	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6,6]	C[5,6]	4:3:4:	4:2:3:4:	4:3:4:	C[5,5,6,6]-4:C[5,6]-3:C-4:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]C)(CF3)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6]N[6]HH)	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]C)(CF3)	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]C)(CF3){1|N<3>,2|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6]N[6]HH){1|C<3>,1|O<2>,1|S<4>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]C)(CF3){1|H<1>,3|C<4>}	105.1150	0.000	1	105.0107	0.008	3	105.0975	0.036	4	105.0975	0.036	4	106.3643	2.340	62	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6,6]	C[5,6]	4:3:4:	4:2:3:4:	4:3:4:	C[5,5,6,6]-4:C[5,6]-3:C-4:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]C)(CF3)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6]N[6]HH)	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]C)(CF3)	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]C)(CF3){1|N<3>,2|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6]N[6]HH){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]C)(CF3){1|H<1>,3|C<4>}	104.9585	0.011	2	105.0107	0.008	3	105.0975	0.036	4	105.0975	0.036	4	106.3643	2.340	62	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6,6]	C[5,6]	4:3:4:	4:2:3:4:	4:3:4:	C[5,5,6,6]-4:C[5,6]-3:C-4:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]C)(CF3)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6]S[6]HH)	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]C)(CF3)	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]C)(CF3){1|S<2>,2|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6]S[6]HH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]C)(CF3){1|H<1>,3|C<4>}	105.3580	0.000	1	105.3580	0.000	1	105.0975	0.036	4	105.0975	0.036	4	106.3643	2.340	62	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6,6]	C[5,6]	4:3:4:	4:4:3:1:	4:3:4:	C[5,5,6,6]-4:C[5,6]-3:C-4:	C[5,3x6]-4:P[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6,6]C[5,3x6]P[5,5,6]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(P[5,5,6]C[5,5,6]C[6]W)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,6,6]P[5,5,6]H)(C[5,6]C[5,5,6,6]C)(CH3)	C[5,6](C[5,5,6,6]C[5,3x6]P[5,5,6]H)(C[5,6]C[5,5,6]C)(CH3){1|H<1>,1|W<6>,2|C<3>,2|C<4>}	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(P[5,5,6]C[5,5,6]C[6]W)(C[5,6]C[5,6]C)(H){1|P<4>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6]P[5,5,6]H)(C[5,6]C[5,5,6,6]C)(CH3){1|C<3>,1|H<1>,1|W<6>,2|C<4>}	110.7750	0.000	1	110.7750	0.000	1	110.7750	0.000	1	110.7903	0.147	3	106.3643	2.340	62	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6,6]	C[5,6]	4:3:4:	4:4:3:1:	4:3:4:	C[5,5,6,6]-4:C[5,6]-3:C-4:	P[3x5,6]-4:C[5,6,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6,6]C[5,6,6]P[3x5,6]H)(C[5,6]C[3x5,6]C)(CH3)	C[5,5,6,6](P[3x5,6]C[3x5,6]C[5,6]S)(C[5,6,6]C[5,5,6,6]HH)(C[5,6]C[5,6]C)(H)	C[5,6](C[3x5,6]C[5,5,6,6]P[3x5,6]H)(C[5,6]C[5,5,6,6]C)(CH3)	C[5,6](C[5,5,6,6]C[5,6,6]P[3x5,6]H)(C[5,6]C[3x5,6]C)(CH3){1|S<1>,2|C<4>,3|H<1>}	C[5,5,6,6](P[3x5,6]C[3x5,6]C[5,6]S)(C[5,6,6]C[5,5,6,6]HH)(C[5,6]C[5,6]C)(H){2|C<4>,4|H<1>}	C[5,6](C[3x5,6]C[5,5,6,6]P[3x5,6]H)(C[5,6]C[5,5,6,6]C)(CH3){1|S<1>,2|H<1>,3|C<4>}	110.4150	0.000	1	110.4150	0.000	1	110.7980	0.293	2	110.7903	0.147	3	106.3643	2.340	62	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6,6]	C[5,6]	4:3:4:	4:4:3:1:	4:3:4:	C[5,5,6,6]-4:C[5,6]-3:C-4:	P[3x5,6]-4:C[5,6,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6,6]C[5,6,6]P[3x5,6]H)(C[5,6]C[3x5,6]C)(CH3)	C[5,5,6,6](P[3x5,6]C[3x5,6]O[5,6]S)(C[5,6,6]C[5,5,6,6]HH)(C[5,6]C[5,6]C)(H)	C[5,6](C[3x5,6]C[5,5,6,6]P[3x5,6]H)(C[5,6]C[5,5,6,6]C)(CH3)	C[5,6](C[5,5,6,6]C[5,6,6]P[3x5,6]H)(C[5,6]C[3x5,6]C)(CH3){1|C<4>,1|O<2>,1|S<1>,3|H<1>}	C[5,5,6,6](P[3x5,6]C[3x5,6]O[5,6]S)(C[5,6,6]C[5,5,6,6]HH)(C[5,6]C[5,6]C)(H){2|C<4>,2|H<1>}	C[5,6](C[3x5,6]C[5,5,6,6]P[3x5,6]H)(C[5,6]C[5,5,6,6]C)(CH3){1|O<2>,1|S<1>,2|C<4>,2|H<1>}	111.1810	0.000	1	111.1810	0.000	1	110.7980	0.293	2	110.7903	0.147	3	106.3643	2.340	62	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6,6]	C[5,6]	4:3:4:	4:4:3:4:	4:3:4:	C[5,5,6,6]-4:C[5,6]-3:C-4:	C[3,5,6,6]-4:C[5,5,6,6]-4:C[5,6]-3:C-4:	C[5,5,6,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]C)(C[5,6]C[5,5,6,6]C)(CH3)	C[5,5,6,6](C[3,5,6,6]C[3,5,6,6]P[3,6,6]C[6a])(C[5,5,6,6]C[5,5,6,6]C[6,6]C)(C[5,6]C[5,6]C)(CH3)	C[5,6](C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]C)(C[5,6]C[5,5,6,6]C)(CH3)	C[5,6](C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]C)(C[5,6]C[5,5,6,6]C)(CH3){1|C<3>,1|P<4>,4|C<4>}	C[5,5,6,6](C[3,5,6,6]C[3,5,6,6]P[3,6,6]C[6a])(C[5,5,6,6]C[5,5,6,6]C[6,6]C)(C[5,6]C[5,6]C)(CH3){1|N<3>,1|W<6>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]C)(C[5,6]C[5,5,6,6]C)(CH3){1|H<1>,1|P<4>,4|C<4>}	107.2750	0.000	1	107.2750	0.000	1	107.6605	0.297	2	107.6605	0.297	2	106.3643	2.340	62	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6,6]	C[5,6]	4:3:4:	4:4:3:4:	4:3:4:	C[5,5,6,6]-4:C[5,6]-3:C-4:	C[3,5,6,6]-4:C[5,5,6,6]-4:C[5,6]-3:C-4:	C[5,5,6,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]C)(C[5,6]C[5,5,6,6]C)(CH3)	C[5,5,6,6](C[3,5,6,6]C[3,5,6,6]P[3,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[6,6]C)(C[5,6]C[5,6]C)(CH3)	C[5,6](C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]C)(C[5,6]C[5,5,6,6]C)(CH3)	C[5,6](C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]C)(C[5,6]C[5,5,6,6]C)(CH3){1|H<1>,1|P<4>,4|C<4>}	C[5,5,6,6](C[3,5,6,6]C[3,5,6,6]P[3,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[6,6]C)(C[5,6]C[5,6]C)(CH3){1|H<1>,1|N<3>,1|W<6>,2|C<3>,2|C<4>}	C[5,6](C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]C)(C[5,6]C[5,5,6,6]C)(CH3){1|C<3>,1|P<4>,4|C<4>}	108.0460	0.000	1	108.0460	0.000	1	107.6605	0.297	2	107.6605	0.297	2	106.3643	2.340	62	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,5,6]	3:4:1:	4:3:3:2:	4:4:3:	C[5,5,6]-3:C[5,5,6]-4:H-1:	C[5,5]-4:C[5,6]-3:C[5,6]-3:O-2:	C[3x5,6]-4:C[5,6]-4:C[5,6]-3:	C[5,6](C[5,5,6]C[3x5,6]C[5,6])(C[5,5,6]C[5,5]C[5,6]O)(H)	C[5,5,6](C[5,5]C[3x5,6]Cl2)(C[5,6]C[5,5,6]H)(C[5,6]C[5,6]C)(OC)	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,6]C[6]H)(C[5,6]C[5,5,6]H)	C[5,6](C[5,5,6]C[3x5,6]C[5,6])(C[5,5,6]C[5,5]C[5,6]O)(H){2|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[3x5,6]Cl2)(C[5,6]C[5,5,6]H)(C[5,6]C[5,6]C)(OC){2|C<4>,2|H<1>}	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,6]C[6]H)(C[5,6]C[5,5,6]H){2|Cl<1>,1|C<3>,1|O<2>,2|C<4>,7|H<1>}	106.7900	0.000	1	106.7900	0.000	1	106.7900	0.000	1	106.7900	0.000	1	106.4260	0.265	2	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,5,6]	4:3:1:	4:4:3:2:	4:4:3:	C[5,5,6]-4:C[5,5,6]-3:H-1:	C[3,5,6]-4:C[5,5]-4:C[5,6]-3:O-2:	C[3x5,6]-4:C[5,6]-4:C[5,6]-3:	C[5,6](C[5,5,6]C[3,5,6]C[5,5]O)(C[5,5,6]C[3x5,6]C[5,6])(H)	C[5,5,6](C[3,5,6]C[5,6]C[3]2)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]H)(OC)	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,6]C[6]C)(C[5,6]C[5,5,6]H)	C[5,6](C[5,5,6]C[3,5,6]C[5,5]O)(C[5,5,6]C[3x5,6]C[5,6])(H){2|H<1>,7|C<4>}	C[5,5,6](C[3,5,6]C[5,6]C[3]2)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]H)(OC){3|Cl<1>,2|C<4>,3|H<1>}	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,6]C[6]C)(C[5,6]C[5,5,6]H){1|O<2>,3|C<4>,9|H<1>}	106.0620	0.000	1	106.0620	0.000	1	106.0620	0.000	1	106.0620	0.000	1	106.4260	0.265	2	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6,6]	3:4:1:	3:3:4:1:	4:3:4:	C[5,6,6]-3:C[5,5,6]-4:H-1:	C[5,5]-3:C[5,6]-3:C[5,6]-4:H-1:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6])(C[5,5,6]C[5,5]C[5,6]H)(H)	C[5,5,6](C[5,5]C[5,5,6,6]O)(C[5,6]C[5,6,6]H)(C[5,6]C[5,6]CH)(H)	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]H)(C[6]C[6]HH)	C[5,6](C[5,6,6]C[5,5,6,6]C[6])(C[5,5,6]C[5,5]C[5,6]H)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6,6]O)(C[5,6]C[5,6,6]H)(C[5,6]C[5,6]CH)(H){1|Si<4>,1|H<1>,2|C<4>}	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]H)(C[6]C[6]HH){1|Si<4>,1|O<1>,2|C<4>,6|H<1>}	109.5500	0.000	1	109.5500	0.000	1	109.5500	0.000	1	109.5500	0.000	1	107.4180	9.091	2	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6,6]	3:4:4:	2:3:4:1:	4:3:4:	C[5,6,6]-3:C[5,5,6]-4:C-4:	O[5,5]-2:C[5,6]-3:C[5,6]-4:H-1:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6])(C[5,5,6]C[5,6]O[5,5]H)(CH3)	C[5,5,6](O[5,5]C[5,5,6,6])(C[5,6]C[5,6,6]C)(C[5,6]C[5,6]HH)(H)	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]C)(C[6]C[6,6]HO)	C[5,6](C[5,6,6]C[5,5,6,6]C[6])(C[5,5,6]C[5,6]O[5,5]H)(CH3){1|O<2>,3|C<4>,3|H<1>}	C[5,5,6](O[5,5]C[5,5,6,6])(C[5,6]C[5,6,6]C)(C[5,6]C[5,6]HH)(H){1|C<3>,3|C<4>}	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]C)(C[6]C[6,6]HO){1|C<3>,3|H<1>,5|C<4>}	105.2860	0.000	1	105.2860	0.000	1	105.2860	0.000	1	105.2860	0.000	1	107.4180	9.091	2	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	2:3:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	O[5,5]-2:C[5,6]-3:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H)	C[5,5,6](O[5,5]C[5,5,6,6])(C[5,6]C[5,6,6]C)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H){1|C<3>,2|C<4>}	C[5,5,6](O[5,5]C[5,5,6,6])(C[5,6]C[5,6,6]C)(C[5,6]C[5,6]H)(H){2|C<4>,2|H<1>}	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H){1|C<3>,2|C<4>,4|H<1>}	105.5010	0.000	1	105.5010	0.000	1	105.5010	0.000	1	105.5520	0.092	10	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	2:3:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	O[5,5]-2:C[5,6]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,2|C<3>}	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){1|H<1>,2|C<3>}	105.2520	0.165	3	105.2520	0.027	3	105.5577	0.103	9	105.5520	0.092	10	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	2:3:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	O[5,5]-2:C[5,6]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<2>,1|C<3>,1|H<1>}	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H){1|C<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<2>,1|C<3>,1|H<1>}	105.5730	0.199	4	105.7105	0.070	6	105.5577	0.103	9	105.5520	0.092	10	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	2:3:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	O[5,5]-2:C[5,6]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H){1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	105.9510	0.000	1	105.7105	0.070	6	105.5577	0.103	9	105.5520	0.092	10	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	2:3:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	O[5,5]-2:C[5,6]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H){1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|N<3>,2|H<1>}	106.0200	0.000	1	105.7105	0.070	6	105.5577	0.103	9	105.5520	0.092	10	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	2:3:3:4:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	O[5,5]-2:C[5,6]-3:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CCHH)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){1|H<1>,2|C<3>}	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CCHH){1|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,2|C<3>}	105.8340	0.110	2	105.8340	0.012	2	105.8174	0.236	5	105.8174	0.236	5	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	2:3:3:4:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	O[5,5]-2:C[5,6]-3:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CH3)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){1|C<4>,2|C<3>}	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){1|C<4>,2|C<3>}	105.8980	0.939	2	105.8980	0.882	2	105.8174	0.236	5	105.8174	0.236	5	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	2:3:3:4:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	O[5,5]-2:C[5,6]-3:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CHHN)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){1|H<1>,2|C<3>}	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CHHN){1|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,2|C<3>}	105.6230	0.000	1	105.6230	0.000	1	105.8174	0.236	5	105.8174	0.236	5	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	3:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]H)(H){3|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){2|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]H)(H){1|H<1>,2|C<3>}	105.8815	0.329	2	105.8815	0.108	2	106.0012	1.842	4	106.0701	0.792	9	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	3:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|H<1>,2|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|H<1>,2|C<3>}	106.1210	2.315	2	106.1210	5.360	2	106.0012	1.842	4	106.0701	0.792	9	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	3:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6]-3:O[5,5]-2:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	C[5,5,6](C[5,6]C[5,5,6]C)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){1|C<3>,2|C<4>}	C[5,5,6](C[5,6]C[5,5,6]C)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	105.6875	0.056	2	106.1252	0.194	5	106.1252	0.194	5	106.0701	0.792	9	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	3:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6]-3:O[5,5]-2:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	C[5,5,6](C[5,6]C[5,5,6]C)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){1|C<3>,2|C<4>}	C[5,5,6](C[5,6]C[5,5,6]C)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	106.7160	0.000	1	106.1252	0.194	5	106.1252	0.194	5	106.0701	0.792	9	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	3:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6]-3:O[5,5]-2:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	C[5,5,6](C[5,6]C[5,5,6]C)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){1|C<3>,2|C<4>}	C[5,5,6](C[5,6]C[5,5,6]C)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){2|C<4>,2|H<1>}	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	106.2660	0.000	1	106.1252	0.194	5	106.1252	0.194	5	106.0701	0.792	9	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	3:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6]-3:O[5,5]-2:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	C[5,5,6](C[5,6]C[5,5,6]C)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){1|C<3>,2|C<4>}	C[5,5,6](C[5,6]C[5,5,6]C)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){2|C<4>,2|H<1>}	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H){1|C<3>,2|C<4>,4|H<1>}	106.2690	0.000	1	106.1252	0.194	5	106.1252	0.194	5	106.0701	0.792	9	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	3:2:3:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]C)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]H)(CH3)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]C)(H){1|C<4>,2|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]H)(CH3){1|H<1>,2|C<3>}	106.3070	0.000	1	106.3070	0.000	1	106.3070	0.000	1	106.3070	0.000	1	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	3:2:3:3:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CC[6a]O)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]H)(H){1|H<1>,2|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CC[6a]O){2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]H)(H){3|C<3>}	105.6330	0.000	1	105.6330	0.000	1	105.9030	0.146	2	105.9030	0.146	2	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	3:2:3:3:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CN[5]O)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]H)(H){1|H<1>,2|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CN[5]O){2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]H)(H){3|C<3>}	106.1730	0.000	1	106.1730	0.000	1	105.9030	0.146	2	105.9030	0.146	2	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	3:2:3:4:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6,6]-3:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3)	C[5,6](C[5,5,6]C[5,6,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){1|C<3>,2|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3){1|N<3>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,1|N<3>}	106.2870	0.000	1	106.2870	0.000	1	105.8345	0.410	2	105.8345	0.410	2	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	3:2:3:4:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6,6]-3:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]N[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3)	C[5,6](C[5,5,6]C[5,6,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,1|N<3>}	C[5,5,6](C[5,6,6]C[5,6,6]N[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3){1|H<1>,1|S<4>,3|C<4>}	C[5,6](C[5,5,6]C[5,6,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){1|C<3>,2|C<4>}	105.3820	0.000	1	105.3820	0.000	1	105.8345	0.410	2	105.8345	0.410	2	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	3:2:3:4:	4:3:3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]C)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]H)(CN[5]O)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]C)(H){1|C<4>,2|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]H)(CN[5]O){1|C<4>,2|C<3>}	106.1580	0.000	1	106.1580	0.000	1	106.1580	0.000	1	106.1580	0.000	1	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	3:3:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6]-3:C[5,5]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]C)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|H<1>,3|C<3>}	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]C)(C[5,6]C[5,6]H)(H){2|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|H<1>,3|C<3>}	107.1875	0.013	2	107.1875	0.000	2	107.1875	0.000	2	107.1875	0.000	2	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	3:3:3:4:	4:3:4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6,6a]-3:C[5,5]-3:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6]C[5,5,6]C)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]H)(CC3)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6]C[5,5,6]H)(CC3)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6]C[5,5,6]C)(H){1|C<4>,1|O<1>,2|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]H)(CC3){2|C<4>,3|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6]C[5,5,6]H)(CC3){1|C<4>,1|O<1>,2|C<3>}	113.3870	0.000	1	113.3870	0.000	1	113.3870	0.000	1	113.3870	0.000	1	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	3:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5a,6]-3:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|O<2>,2|C<3>,2|H<1>}	108.2295	0.042	2	108.3550	0.026	4	108.3550	0.026	4	108.5455	1.577	20	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	3:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5a,6]-3:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|O<2>,2|C<3>,2|H<1>}	108.4805	0.114	2	108.3550	0.026	4	108.3550	0.026	4	108.5455	1.577	20	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	3:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6,6]-3:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,3|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,3|H<1>}	107.4970	0.117	2	107.4970	0.014	2	107.4970	0.014	2	108.5455	1.577	20	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	3:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6,6]-3:Si[3x5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6]Si[3x5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6])(Si[3x5]C[5,5,6]C[5]2)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]Si[3x5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]Si[3x5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6])(Si[3x5]C[5,5,6]C[5]2)(C[5,6]C[5,6]H)(H){5|Si<4>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6]Si[3x5]H)(C[5,6]C[5,5,6]H)(H){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	112.2590	0.000	1	112.2590	0.000	1	112.2590	0.000	1	108.5455	1.577	20	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	3:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<3>,3|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<3>,3|H<1>}	108.1425	0.131	2	108.5493	0.531	8	108.4653	0.450	10	108.5455	1.577	20	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	3:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<3>,3|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){2|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<3>,3|H<1>}	108.6848	0.807	6	108.5493	0.531	8	108.4653	0.450	10	108.5455	1.577	20	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	3:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]N[5a]C)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]N[5a]C)(C[5,6]C[5,6]H)(H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|H<1>,1|N<3>,3|C<3>}	108.1295	0.217	2	108.1295	0.047	2	108.4653	0.450	10	108.5455	1.577	20	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	3:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6,6a]-3:N[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]H)(H){2|H<1>,3|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){2|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]C)(C[5,6]C[5,5,6]H)(H){2|C<3>,3|H<1>}	108.5890	0.000	1	108.5890	0.000	1	108.5890	0.000	1	108.5455	1.577	20	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	3:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	N[5,5]-3:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,3|H<1>}	106.3040	0.000	1	106.3040	0.000	1	106.3040	0.000	1	108.5455	1.577	20	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	3:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	S[5,5]-3:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6]S[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](S[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]S[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]S[5,5]H)(C[5,6]C[5,5,6]H)(H){1|O<1>,2|C<4>,2|H<1>}	C[5,5,6](S[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]S[5,5]C)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	110.6900	0.000	1	110.6900	0.000	1	110.6900	0.000	1	108.5455	1.577	20	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	3:4:3:3:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6,6a]-3:N[5,5]-4:C[5,6]-3:C-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(CN[5]O)	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]C)(C[5,6]C[5,5,6]H)(H){2|C<3>,3|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(CN[5]O){2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]H)(H){2|H<1>,3|C<3>}	106.8940	0.000	1	106.8940	0.000	1	106.8940	0.000	1	106.7435	0.045	2	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	3:4:3:3:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	N[5,5]-3:C[5,6]-4:C[5,6]-3:C-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(CNO)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,3|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(CNO){4|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,2|C<3>,2|H<1>}	106.5930	0.000	1	106.5930	0.000	1	106.5930	0.000	1	106.7435	0.045	2	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	3:4:3:4:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	S[5,5]-3:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6]S[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](S[5,5]C[5,5,6]O)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(CH3)	C[5,6](C[5,5,6]C[5,6]S[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]S[5,5]C)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,5,6](S[5,5]C[5,5,6]O)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(CH3){4|H<1>}	C[5,6](C[5,5,6]C[5,6]S[5,5]H)(C[5,6]C[5,5,6]H)(H){1|O<1>,2|C<4>,2|H<1>}	111.1260	0.000	1	111.1260	0.000	1	111.1260	0.000	1	111.1260	0.000	1	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[3,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[3,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){4|C<4>}	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[3,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	105.3680	0.078	2	105.3680	0.006	2	105.3680	0.006	2	105.8563	0.312	189	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[3x5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[3x5,6,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[3x5,6,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[3x5,6,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[3x5,6,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	105.7753	0.263	10	105.7753	0.069	10	105.7753	0.069	10	105.8563	0.312	189	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[3x5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5,6]C[5])(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[3x5,6]C[3x5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[3x5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){4|C<4>}	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5,6]C[5])(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[5,6](C[3x5,6]C[3x5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H){1|O<2>,3|C<4>,3|H<1>}	106.0550	0.000	1	106.0550	0.000	1	106.0550	0.000	1	105.8563	0.312	189	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[4,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[4,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[4,5,6]C[4,5,6]C[4,5]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[4,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[4,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,5,6](C[4,5,6]C[4,5,6]C[4,5]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[4,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	106.1590	0.000	1	105.8915	0.143	2	105.8130	0.058	4	105.8563	0.312	189	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[4,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[4,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[4,5,6]C[4,5,6]C[4,5]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[4,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[4,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,5,6](C[4,5,6]C[4,5,6]C[4,5]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[4,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	105.6240	0.000	1	105.8915	0.143	2	105.8130	0.058	4	105.8563	0.312	189	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[4,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[4,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[4,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[4,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,5,6]C[4,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,2|H<1>}	105.6760	0.000	1	105.7345	0.007	2	105.8130	0.058	4	105.8563	0.312	189	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[4,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[4,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[4,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[4,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,2|H<1>}	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[4,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	105.7930	0.000	1	105.7345	0.007	2	105.8130	0.058	4	105.8563	0.312	189	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H)	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6,6]C[5,5,3x6]C[6,6a]O[5,5])(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H){2|C<3>,2|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,5,6,6]C[5,5,3x6]C[6,6a]O[5,5])(C[5,6]C[5,5,6]H)(H){1|H<1>,2|C<4>,3|C<3>}	105.7235	0.074	2	105.7235	0.006	2	105.9393	0.044	26	105.8563	0.312	189	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H)	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H){1|C<3>,3|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	105.9480	0.200	4	105.9421	0.038	12	105.9393	0.044	26	105.8563	0.312	189	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H)	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H){4|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H){1|N<3>,3|C<4>,3|H<1>}	105.9391	0.206	8	105.9421	0.038	12	105.9393	0.044	26	105.8563	0.312	189	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H)	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6,6]C[5,5,3x6]C[6,6]O[5,5])(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H){1|H<1>,3|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6,6]C[5,5,3x6]C[6,6]O[5,5])(C[5,6]C[5,5,6]H)(H){1|N<3>,3|C<4>,3|H<1>}	106.0440	0.000	1	106.0440	0.000	1	105.9393	0.044	26	105.8563	0.312	189	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H)	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6,6]C[5,5,3x6]C[6,6a]O[5,5])(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6,6]C[5,5,3x6]C[6,6a]O[5,5])(C[5,6]C[5,5,6]H)(H){2|C<3>,2|C<4>,2|H<1>}	105.9990	0.000	1	105.9990	0.000	1	105.9393	0.044	26	105.8563	0.312	189	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H)	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H){1|H<1>,3|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H){1|N<3>,2|C<4>,4|H<1>}	106.0140	0.242	4	105.9628	0.062	10	105.9393	0.044	26	105.8563	0.312	189	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H)	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H){1|H<1>,3|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H){1|S<2>,2|C<4>,4|H<1>}	105.7100	0.000	1	105.9628	0.062	10	105.9393	0.044	26	105.8563	0.312	189	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H)	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H){1|H<1>,3|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H){1|N<3>,2|C<4>,4|H<1>}	105.9220	0.191	2	105.9628	0.062	10	105.9393	0.044	26	105.8563	0.312	189	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H)	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H){1|H<1>,3|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H){1|O<2>,2|C<4>,4|H<1>}	106.0060	0.362	3	105.9628	0.062	10	105.9393	0.044	26	105.8563	0.312	189	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	105.6300	0.963	8	105.6300	0.927	8	105.6575	0.548	14	105.8563	0.312	189	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,2|H<1>}	105.6942	0.354	6	105.6942	0.125	6	105.6575	0.548	14	105.8563	0.312	189	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	C[5,5,6](C[5,5,6]C[3x5,6]C[5]H)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[3x5,6]C[3x5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,5,6](C[5,5,6]C[3x5,6]C[5]H)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[3x5,6]C[3x5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H){1|N<3>,2|C<4>,4|H<1>}	106.2350	0.000	1	106.2350	0.000	1	106.2350	0.000	1	105.8563	0.312	189	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	105.5520	0.000	1	105.6917	0.128	3	105.7581	0.119	64	105.8563	0.312	189	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,2|H<1>}	105.7615	0.476	2	105.6917	0.128	3	105.7581	0.119	64	105.8563	0.312	189	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	105.5189	0.322	9	105.5996	0.157	10	105.7581	0.119	64	105.8563	0.312	189	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	106.3260	0.000	1	105.5996	0.157	10	105.7581	0.119	64	105.8563	0.312	189	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C[5a])(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C[5a])(C[5,6]C[5,5,6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	105.9450	0.000	1	105.9450	0.000	1	105.7581	0.119	64	105.8563	0.312	189	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	105.8603	0.318	37	105.7901	0.114	49	105.7581	0.119	64	105.8563	0.312	189	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	105.6405	0.319	4	105.7901	0.114	49	105.7581	0.119	64	105.8563	0.312	189	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,2|H<1>}	105.0450	0.000	1	105.7901	0.114	49	105.7581	0.119	64	105.8563	0.312	189	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,2|H<1>}	105.8345	0.069	2	105.7901	0.114	49	105.7581	0.119	64	105.8563	0.312	189	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,2|H<1>}	105.8580	0.000	1	105.7901	0.114	49	105.7581	0.119	64	105.8563	0.312	189	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	105.4500	0.000	1	105.7901	0.114	49	105.7581	0.119	64	105.8563	0.312	189	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|O<2>,5|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	105.4710	0.436	2	105.7901	0.114	49	105.7581	0.119	64	105.8563	0.312	189	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<4>,1|N<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,2|H<1>}	105.3560	0.000	1	105.7901	0.114	49	105.7581	0.119	64	105.8563	0.312	189	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]O)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]O)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	105.7870	0.000	1	105.7870	0.000	1	105.7581	0.119	64	105.8563	0.312	189	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:S[5,6]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]S[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(S[5,6]C[5,6,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]S[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(S[5,6]C[5,6,6])(C[5,6]C[5,6]H)(H){1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,1|O<2>,1|S<2>,3|H<1>}	108.6720	0.000	1	108.6720	0.000	1	108.6720	0.000	1	105.8563	0.312	189	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	C[5,5,6](C[5,6,6]C[5,5,6,6]C[6]H)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[3x5,6]C[5,5,6,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,5,6](C[5,6,6]C[5,5,6,6]C[6]H)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[3x5,6]C[5,5,6,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H){1|N<3>,2|C<4>,4|H<1>}	106.1730	0.000	1	106.1730	0.000	1	106.1730	0.000	1	105.8563	0.312	189	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,2|H<1>}	106.0840	0.000	1	105.6735	0.337	2	105.6735	0.337	2	105.8563	0.312	189	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,2|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	105.2630	0.000	1	105.6735	0.337	2	105.6735	0.337	2	105.8563	0.312	189	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	C[5,5,6](C[5,6]C[5,5,6]CH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]O[5,5])(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,5,6](C[5,6]C[5,5,6]CH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[3x5,6]C[5,5,6]C[5,5]O[5,5])(C[5,6]C[5,5,6]H)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	105.5615	0.050	2	105.5615	0.003	2	106.2654	0.213	31	105.8563	0.312	189	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	C[5,5,6](C[5,6]C[5,5,6]CH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,5,6](C[5,6]C[5,5,6]CH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){2|C<4>,2|H<1>}	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5,6]C[5,5,6]H)(H){1|C<3>,2|C<4>,2|H<1>,2|N<3>}	106.2830	0.000	1	106.2830	0.000	1	106.2654	0.213	31	105.8563	0.312	189	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	C[5,5,6](C[5,6]C[5,5,6]CH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,5,6](C[5,6]C[5,5,6]CH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	106.2491	0.412	8	106.2080	0.145	14	106.2654	0.213	31	105.8563	0.312	189	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	C[5,5,6](C[5,6]C[5,5,6]CH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,5,6](C[5,6]C[5,5,6]CH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	106.1705	0.107	2	106.2080	0.145	14	106.2654	0.213	31	105.8563	0.312	189	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	C[5,5,6](C[5,6]C[5,5,6]CH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,5,6](C[5,6]C[5,5,6]CH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	106.1445	0.464	4	106.2080	0.145	14	106.2654	0.213	31	105.8563	0.312	189	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5,6]C[5,5,6]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	106.6820	0.000	1	106.6125	0.010	2	106.2654	0.213	31	105.8563	0.312	189	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){2|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){2|C<4>,2|H<1>}	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5,6]C[5,5,6]H)(H){1|N<3>,1|O<2>,2|C<4>,3|H<1>}	106.5430	0.000	1	106.6125	0.010	2	106.2654	0.213	31	105.8563	0.312	189	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){2|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|Br<1>,1|H<1>,2|C<4>}	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H){1|Br<1>,1|N<3>,2|C<4>,3|H<1>}	107.1240	0.212	2	106.3904	0.277	12	106.2654	0.213	31	105.8563	0.312	189	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){2|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|Br<1>,1|H<1>,2|C<4>}	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H){1|Br<1>,1|S<2>,2|C<4>,3|H<1>}	105.8990	0.000	1	106.3904	0.277	12	106.2654	0.213	31	105.8563	0.312	189	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){2|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|Br<1>,1|H<1>,2|C<4>}	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H){1|Br<1>,1|S<4>,2|C<4>,3|H<1>}	106.4780	0.000	1	106.3904	0.277	12	106.2654	0.213	31	105.8563	0.312	189	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){2|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	106.6120	0.000	1	106.3904	0.277	12	106.2654	0.213	31	105.8563	0.312	189	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){2|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	106.5490	0.000	1	106.3904	0.277	12	106.2654	0.213	31	105.8563	0.312	189	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){2|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|Cl<1>,1|H<1>,2|C<4>}	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H){1|Cl<1>,1|N<3>,2|C<4>,3|H<1>}	106.3350	0.000	1	106.3904	0.277	12	106.2654	0.213	31	105.8563	0.312	189	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){2|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|Cl<1>,1|H<1>,2|C<4>}	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H){1|Cl<1>,1|S<2>,2|C<4>,3|H<1>}	105.6960	0.000	1	106.3904	0.277	12	106.2654	0.213	31	105.8563	0.312	189	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){2|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|Cl<1>,1|H<1>,2|C<4>}	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H){1|Cl<1>,1|S<4>,2|C<4>,3|H<1>}	106.9770	0.000	1	106.3904	0.277	12	106.2654	0.213	31	105.8563	0.312	189	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){2|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){2|C<4>,2|H<1>}	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H){1|N<3>,1|P<4>,2|C<4>,3|H<1>}	105.8055	0.268	2	106.3904	0.277	12	106.2654	0.213	31	105.8563	0.312	189	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){2|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){2|C<4>,2|H<1>}	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H){1|S<2>,3|C<4>,3|H<1>}	106.2800	0.000	1	106.3904	0.277	12	106.2654	0.213	31	105.8563	0.312	189	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H)	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	105.7715	0.244	2	105.9253	0.102	6	105.9253	0.102	6	105.8563	0.312	189	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H)	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	106.4770	0.000	1	105.9253	0.102	6	105.9253	0.102	6	105.8563	0.312	189	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H)	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H){2|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	105.8730	0.000	1	105.9253	0.102	6	105.9253	0.102	6	105.8563	0.312	189	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H)	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H){2|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	105.6330	0.000	1	105.9253	0.102	6	105.9253	0.102	6	105.8563	0.312	189	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H)	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H){2|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H){1|C<4>,1|S<4>,2|H<1>}	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H){1|S<4>,2|C<4>,4|H<1>}	106.0260	0.000	1	105.9253	0.102	6	105.9253	0.102	6	105.8563	0.312	189	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:Br-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]Br)(H)	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(Br)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]Br)(H){2|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|Br<1>,1|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(Br){2|C<4>,2|H<1>}	103.4445	1.044	2	103.4445	1.091	2	103.4445	1.091	2	105.8563	0.312	189	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6]C[5,5,6]FF)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,2|F<1>}	C[5,5,6](C[5,6]C[5,5,6]FF)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){1|H<1>,1|O<2>,2|C<4>}	105.4550	0.000	1	105.4550	0.000	1	105.7422	0.282	24	105.8563	0.312	189	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6]C[5,6]BrC)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|Br<1>,1|H<1>,2|C<4>}	C[5,5,6](C[5,6]C[5,6]BrC)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){4|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,3|H<1>}	105.7787	0.597	3	105.7787	0.356	3	105.7422	0.282	24	105.8563	0.312	189	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|H<1>,3|C<4>}	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){2|C<4>,2|H<1>}	105.6920	0.000	1	105.6920	0.000	1	105.7422	0.282	24	105.8563	0.312	189	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,1|H<1>}	105.6880	0.000	1	105.7170	0.019	6	105.7422	0.282	24	105.8563	0.312	189	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	105.7750	0.117	4	105.7170	0.019	6	105.7422	0.282	24	105.8563	0.312	189	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){4|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,3|H<1>}	105.5140	0.000	1	105.7170	0.019	6	105.7422	0.282	24	105.8563	0.312	189	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6]C[5,6]CO)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<2>,1|C<4>,1|H<1>,1|O<1>}	C[5,5,6](C[5,6]C[5,6]CO)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){4|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,3|H<1>}	105.0240	0.000	1	105.7410	0.876	4	105.7422	0.282	24	105.8563	0.312	189	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6]C[5,6]CO)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,5,6](C[5,6]C[5,6]CO)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){2|F<1>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,1|H<1>,2|F<1>}	105.9800	0.986	3	105.7410	0.876	4	105.7422	0.282	24	105.8563	0.312	189	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6]C[5,6]FF)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,1|H<1>,2|F<1>}	C[5,5,6](C[5,6]C[5,6]FF)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|O<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	105.4157	0.256	3	105.4157	0.066	3	105.7422	0.282	24	105.8563	0.312	189	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|Br<1>,1|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|Br<1>,1|H<1>,2|C<4>}	105.8247	0.906	3	106.0238	0.524	5	105.7422	0.282	24	105.8563	0.312	189	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<2>,1|O<1>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<2>,1|C<4>,1|H<1>,1|O<1>}	106.6040	0.000	1	106.0238	0.524	5	105.7422	0.282	24	105.8563	0.312	189	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	106.0410	0.000	1	106.0238	0.524	5	105.7422	0.282	24	105.8563	0.312	189	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6]C[5,6]HN)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|N<3>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]HN)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,1|H<1>}	105.6980	0.000	1	105.6980	0.000	1	105.7422	0.282	24	105.8563	0.312	189	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C[5a]-3:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]C[5a])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(C[5a]C[5a]2)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]C[5a])(H){1|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(C[5a]C[5a]2){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	106.3010	0.000	1	106.3010	0.000	1	106.3010	0.000	1	105.9935	0.189	2	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[6a]-3:C[5,6]-3:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C[6a])(H)	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[5a,6a]C[6a])(C[5,6]C[5,5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C[6a])(H){1|C<4>,2|C<3>,3|H<1>}	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[5a,6a]C[6a])(C[5,6]C[5,5,6]H){1|C<4>,3|H<1>,4|C<3>}	105.6860	0.000	1	105.6860	0.000	1	105.6860	0.000	1	105.9935	0.189	2	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(CH3)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(CH3){1|C<3>,1|C<4>,2|H<1>}	105.7280	0.102	2	105.7280	0.010	2	105.7280	0.010	2	105.9330	0.696	7	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(H)	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(CC[5]CC)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(CC[5]CC){1|C<4>,1|H<1>,2|C<3>}	105.3310	0.000	1	105.3310	0.000	1	106.0655	1.079	2	105.9330	0.696	7	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(H)	C[5,5,6](C[5,6]C[5,6]CO)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(CH3)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,5,6](C[5,6]C[5,6]CO)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<4>,1|H<1>,2|F<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(CH3){1|C<4>,1|H<1>,2|F<1>}	106.8000	0.000	1	106.8000	0.000	1	106.0655	1.079	2	105.9330	0.696	7	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:P-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]P)(H)	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(PC[6a]2Pt)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]P)(H){1|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){2|H<1>,2|P<4>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(PC[6a]2Pt){1|C<4>,1|P<4>,2|H<1>}	105.9813	1.216	3	105.9813	1.479	3	105.9813	1.479	3	105.9330	0.696	7	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:2:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:O-2:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]O)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(OC)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]O)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(OC){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	105.9710	0.000	1	105.9710	0.000	1	105.9710	0.000	1	105.9710	0.000	1	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:2:	4:3:4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[3,5,6]-4:O[5,5]-2:C[5,6]-3:O-2:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[3,5,6]O[5,5]O)(C[5,6]C[5,5,6]C)(H)	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(OC)	C[5,6](C[5,5,6]C[3,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(CF3)	C[5,6](C[5,5,6]C[3,5,6]O[5,5]O)(C[5,6]C[5,5,6]C)(H){1|C<3>,3|C<4>}	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[3,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(CF3){1|C<3>,1|O<2>,2|C<4>}	105.5830	0.305	2	105.5830	0.093	2	105.5830	0.093	2	105.5830	0.093	2	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:3:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CHN)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CHN){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,1|H<1>,2|C<3>}	105.4900	0.000	1	105.4900	0.000	1	105.4900	0.000	1	104.3410	0.995	3	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:3:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:N-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]N)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(NOO)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]N)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(NOO){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	103.7665	0.101	2	103.7665	0.010	2	103.7665	0.010	2	104.3410	0.995	3	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:4:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[3,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[3,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3)	C[5,6](C[5,5,6]C[3,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[3,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){1|C<3>,3|C<4>}	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[3,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){4|C<4>}	106.0515	0.148	2	106.0755	0.065	4	106.3062	0.167	6	106.6062	0.511	28	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:4:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[3,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[3,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3)	C[5,6](C[5,5,6]C[3,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[3,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){4|C<4>}	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[3,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){1|C<3>,3|C<4>}	106.0995	0.415	2	106.0755	0.065	4	106.3062	0.167	6	106.6062	0.511	28	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:4:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[3,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[3,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3)	C[5,6](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[3,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){4|C<4>}	106.7675	0.005	2	106.7675	0.000	2	106.3062	0.167	6	106.6062	0.511	28	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:4:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CCHH)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CCHH){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	105.9033	0.437	3	105.9033	0.191	3	106.4351	0.471	14	106.6062	0.511	28	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:4:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	106.5725	0.538	2	106.5725	0.290	2	106.4351	0.471	14	106.6062	0.511	28	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:4:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	107.5600	0.856	2	107.5600	0.732	2	106.4351	0.471	14	106.6062	0.511	28	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:4:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CHHO)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CHHO){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	106.0265	0.314	4	106.0265	0.099	4	106.4351	0.471	14	106.6062	0.511	28	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:4:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CHHO)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]N)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CHHO){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]N)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	106.8355	0.101	2	106.8355	0.010	2	106.4351	0.471	14	106.6062	0.511	28	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:4:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){1|H<1>,1|O<2>,2|C<4>}	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3){1|C<4>,1|O<2>,2|F<1>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,2|F<1>}	106.3390	0.000	1	106.3390	0.000	1	106.4351	0.471	14	106.6062	0.511	28	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:4:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[3x5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[3x5,6]H)(H)	C[5,5,6](C[5,6]C[5,5,6]CH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(CCHH)	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[3x5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,5,6](C[5,6]C[5,5,6]CH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(CCHH){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5,6]C[5,5,6]H)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	107.2100	0.000	1	107.2100	0.000	1	107.2413	0.499	7	106.6062	0.511	28	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:4:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[3x5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[3x5,6]H)(H)	C[5,5,6](C[5,6]C[5,5,6]CH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(CH3)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[3x5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,5,6](C[5,6]C[5,5,6]CH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	108.0240	0.016	2	108.0240	0.000	2	107.2413	0.499	7	106.6062	0.511	28	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:4:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[3x5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[3x5,6]H)(H)	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(CH3)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[3x5,6]H)(H){2|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(CH3){1|Cl<1>,1|H<1>,2|C<4>}	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H){1|Cl<1>,1|N<3>,2|H<1>,3|C<4>}	107.3140	0.570	2	107.3140	0.325	2	107.2413	0.499	7	106.6062	0.511	28	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:4:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[3x5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[3x5,6]H)(H)	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(CN[5]HH)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[3x5,6]H)(H){2|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(CN[5]HH){2|C<4>,2|H<1>}	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]H)(H){1|N<3>,3|C<4>,3|H<1>}	106.4015	0.142	2	106.4015	0.020	2	107.2413	0.499	7	106.6062	0.511	28	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:2:3:4:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CCHH)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){2|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CCHH){1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|H<1>,3|C<4>}	106.3570	0.000	1	106.3570	0.000	1	106.3570	0.000	1	106.6062	0.511	28	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:3:2:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:Br-1:	C[5,6]-4:C[5,6]-3:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(Br)	C[5,5,6](C[5,6]C[5,6]CH)(C[5,6]C[5,6]Br)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]Br)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(Br){2|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]CH)(C[5,6]C[5,6]Br)(O[5,5]C[5,5,6])(H){1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]Br)(H){2|C<4>,2|H<1>}	107.0425	1.380	2	107.0425	1.903	2	107.0425	1.903	2	107.0425	1.903	2	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:3:2:3:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5a]-3:O[5,5]-2:C[5,6]-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C[5a])(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5a]C[5a]O[5a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C[5a])(C[5,6]C[5,5,6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5a]C[5a]O[5a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,1|H<1>,2|C<3>}	105.5950	0.000	1	105.5950	0.000	1	105.5950	0.000	1	105.5950	0.000	1	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:3:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,5]-4:C[5,6]-3:C[5,6]-3:Cl-1:	C[5,5,6]-4:C[5,6]-3:Cl-1:	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)	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	C[5,6](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>}	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>}	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>}	107.0025	0.467	2	107.0025	0.218	2	107.0025	0.218	2	108.1324	10.996	18	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:3:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:S[5,5]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]S[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(S[5,5]C[5,5,6]O)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]S[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]S[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(S[5,5]C[5,5,6]O)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]S[5,5]C)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	111.1420	0.000	1	111.1420	0.000	1	111.1420	0.000	1	108.1324	10.996	18	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:3:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5]C[5,5,6]C[6a]H)(C[5,6]C[5,6]H)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){2|C<3>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]C[6a]H)(C[5,6]C[5,6]H)2(H){2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){2|C<3>,3|H<1>}	109.2960	7.174	4	109.2960	51.460	4	108.4624	15.115	12	108.1324	10.996	18	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:3:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]B[5x3,5x5,20x6]C[5,5]C[5,6])(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|B<6>,2|C<3>,2|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H){1|B<6>,2|H<1>}	C[5,6](C[5,5,6]B[5x3,5x5,20x6]C[5,5]C[5,6])(C[5,6]C[5,5,6]H)(H){1|C<3>,2|C<6>,3|B<6>,4|H<1>}	110.5650	0.000	1	110.5650	0.000	1	108.4624	15.115	12	108.1324	10.996	18	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:3:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H){1|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){2|C<3>,4|H<1>}	107.6705	0.330	2	107.7643	0.068	4	108.4624	15.115	12	108.1324	10.996	18	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:3:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){2|C<3>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H){1|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){2|C<3>,3|H<1>}	107.8580	0.243	2	107.7643	0.068	4	108.4624	15.115	12	108.1324	10.996	18	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:3:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(C[5,6]N[5,6]O)(H)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|N<3>,1|O<1>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(C[5,6]N[5,6]O)(H){3|H<1>}	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,4|H<1>}	107.2750	0.000	1	107.2750	0.000	1	108.4624	15.115	12	108.1324	10.996	18	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:3:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(C[5,6]C[5,6]S)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|O<2>,1|S<4>,2|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(C[5,6]C[5,6]S)(H){3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|O<2>,3|H<1>}	107.5570	0.000	1	107.5570	0.000	1	108.4624	15.115	12	108.1324	10.996	18	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:3:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|O<2>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)2(H){1|S<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|O<2>,1|S<4>,2|H<1>}	107.9110	0.000	1	107.9110	0.000	1	108.4624	15.115	12	108.1324	10.996	18	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:3:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-3:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(N[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(N[5,6]C[5,6]C)(H){1|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|N<3>,4|H<1>}	106.4165	0.090	2	106.4165	0.008	2	106.5623	0.068	3	108.1324	10.996	18	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:3:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-3:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(N[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(N[5,6]C[5,6]H)(H){1|O<1>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|N<3>,1|O<1>,3|H<1>}	106.8540	0.000	1	106.8540	0.000	1	106.5623	0.068	3	108.1324	10.996	18	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:3:3:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]C)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(CC[6a]2O)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]C)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(CC[6a]2O){1|C<4>,2|C<3>,2|H<1>}	107.9450	0.000	1	107.9450	0.000	1	107.9450	0.000	1	107.3154	0.358	5	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:3:3:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C[6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6])(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C[6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(C[6]C[6]2H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6])(H){1|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C[6])(C[5,6]C[5,6]H)(H){3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(C[6]C[6]2H){1|C<4>,2|C<3>,8|H<1>}	107.4243	0.206	3	107.4243	0.043	3	107.4243	0.043	3	107.3154	0.358	5	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:3:3:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:S-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]S)(H)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(SC[6a]OO)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]S)(H){1|C<3>,1|O<2>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)2(H){1|S<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(SC[6a]OO){1|C<3>,1|O<2>,3|H<1>}	106.3590	0.000	1	106.3590	0.000	1	106.3590	0.000	1	107.3154	0.358	5	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:3:3:4:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:S[5,5]-3:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]S[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(S[5,5]C[5,5,6]O)(C[5,6]C[5,6]H)(CCHH)	C[5,6](C[5,5,6]C[5,5,6]S[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]S[5,5]C)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(S[5,5]C[5,5,6]O)(C[5,6]C[5,6]H)(CCHH){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]S[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	111.3300	0.000	1	111.3300	0.000	1	111.3300	0.000	1	111.3300	0.000	1	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:Br-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:Br-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]Br)(Br)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(C[5,6]C[5,6]Br)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]Br)(Br)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]Br)(Br){1|Br<1>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(C[5,6]C[5,6]Br)(H){2|Br<1>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]Br)(Br){1|Br<1>,1|C<4>,4|H<1>}	107.3390	0.000	1	107.3390	0.000	1	107.3390	0.000	1	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,3x6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,5,6]-4:C[5,6]-3:Cl-1:	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)	C[5,6](C[5,5,6]C[5,3x6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	C[5,6](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>}	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>}	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>}	107.6740	0.219	4	107.6740	0.048	4	107.6740	0.048	4	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,5,6,6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,5,6]-4:C[5,6]-3:Cl-1:	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)	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[5,6](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>}	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>}	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>}	107.6485	0.582	2	107.6485	0.339	2	107.6485	0.339	2	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,5,6]-4:C[5,6]-3:Cl-1:	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)	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[5,6](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>}	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>}	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>}	107.4080	0.000	1	107.5590	0.119	6	107.4535	0.511	8	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,5,6]-4:C[5,6]-3:Cl-1:	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)	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[5,6](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>}	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>}	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>}	107.6545	0.400	4	107.5590	0.119	6	107.4535	0.511	8	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,5,6]-4:C[5,6]-3:Cl-1:	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)	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[5,6](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>}	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>}	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>}	107.3280	0.000	1	107.5590	0.119	6	107.4535	0.511	8	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,5,6]-4:C[5,6]-3:Cl-1:	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)	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[5,6](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>}	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>}	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>}	105.9720	0.000	1	107.1370	2.714	2	107.4535	0.511	8	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,5,6]-4:C[5,6]-3:Cl-1:	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)	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[5,6](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>}	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>}	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>}	108.3020	0.000	1	107.1370	2.714	2	107.4535	0.511	8	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:Cl-1:	C[5,5,6]-4:C[5,6]-3:Cl-1:	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)	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	C[5,6](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>}	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>}	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>}	107.5079	0.387	14	107.5144	0.139	15	107.5817	0.203	16	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:Cl-1:	C[5,5,6]-4:C[5,6]-3:Cl-1:	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)	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	C[5,6](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>}	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>}	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>}	107.6050	0.000	1	107.5144	0.139	15	107.5817	0.203	16	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:Cl-1:	C[5,5,6]-4:C[5,6]-3:Cl-1:	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)	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	C[5,6](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>}	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>}	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>}	108.5920	0.000	1	108.5920	0.000	1	107.5817	0.203	16	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,5,6]-4:C[5,6]-3:Cl-1:	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)	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[5,6](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>}	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>}	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>}	107.4140	0.387	3	107.4140	0.150	3	107.2820	0.947	12	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,5,6]-4:C[5,6]-3:Cl-1:	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)	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[5,6](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>}	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>}	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>}	107.0210	0.341	3	107.0210	0.116	3	107.2820	0.947	12	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,5,6]-4:C[5,6]-3:Cl-1:	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)	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[5,6](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>}	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>}	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>}	105.8890	0.072	2	107.3465	1.922	6	107.2820	0.947	12	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,5,6]-4:C[5,6]-3:Cl-1:	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)	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[5,6](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>}	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>}	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>}	108.6090	1.390	2	107.3465	1.922	6	107.2820	0.947	12	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,5,6]-4:C[5,6]-3:Cl-1:	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)	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[5,6](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>}	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>}	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>}	107.5415	0.397	2	107.3465	1.922	6	107.2820	0.947	12	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[3,5,5]-4:C[5,3x6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[3,5,5]C[5,3x6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[3,5,5]C[5,5,6]C[3]2)(C[5,3x6]C[5,3x6]C[6]2)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[3,5,5]C[5,3x6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[3,5,5]C[5,3x6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,5,6](C[3,5,5]C[5,5,6]C[3]2)(C[5,3x6]C[5,3x6]C[6]2)(C[5,6]C[5,6]H)(H){1|C<4>,1|O<1>,3|C<3>,8|H<1>}	C[5,6](C[5,5,6]C[3,5,5]C[5,3x6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|H<1>,4|C<4>}	107.8100	0.150	2	107.8100	0.022	2	107.8100	0.022	2	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[3,5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[3,5,5]C[5,5,6]C[3]2)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,5,6](C[3,5,5]C[5,5,6]C[3]2)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]H)(H){1|C<3>,7|H<1>}	C[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,2|H<1>,3|C<4>}	107.9930	0.000	1	107.9930	0.000	1	107.8455	0.044	2	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[3,5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[3,5,5]C[5,5,6]C[3]2)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[3,5,5]C[5,5,6]C[3]2)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,6|H<1>}	C[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|H<1>,4|C<4>}	107.6980	0.000	1	107.6980	0.000	1	107.8455	0.044	2	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[3,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){3|C<4>,3|H<1>}	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){3|C<4>,3|H<1>}	107.5110	0.246	2	107.5110	0.061	2	107.5168	0.019	5	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[3,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[3,5,6]C[3,5,6]C[3]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	C[5,5,6](C[3,5,6]C[3,5,6]C[3]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	107.4730	0.014	2	107.4730	0.000	2	107.5168	0.019	5	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[3,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[3,5,6]C[5,6]C[3]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){3|C<4>,3|H<1>}	C[5,5,6](C[3,5,6]C[5,6]C[3]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,7|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	107.6160	0.000	1	107.6160	0.000	1	107.5168	0.019	5	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[3x5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[3x5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[3x5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[3x5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[3x5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	108.1470	0.042	2	108.1470	0.002	2	108.1470	0.002	2	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[3x5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|N<2>,1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|O<2>,2|C<4>,3|H<1>}	107.2160	0.000	1	107.2160	0.000	1	107.2160	0.000	1	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[4,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[4,5,6]C[4,5,6]2H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	C[5,5,6](C[4,5,6]C[4,5,6]2H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	107.9240	0.109	2	107.9240	0.012	2	107.8332	0.045	4	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[4,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|N<3>,1|O<1>,3|H<1>}	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,1|N<3>,4|H<1>}	107.9560	0.000	1	107.9560	0.000	1	107.8332	0.045	4	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[4,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[4,5,6]C[4,5,6]N[4]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,1|N<3>,4|H<1>}	C[5,5,6](C[4,5,6]C[4,5,6]N[4]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	107.5290	0.000	1	107.5290	0.000	1	107.8332	0.045	4	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,3x6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,3x6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,3x6]C[5,3x6]C[6]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,3x6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,3x6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,3x6]C[5,3x6]C[6]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,3x6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	107.7002	0.168	4	107.7002	0.028	4	107.7002	0.028	4	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	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]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<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]HH)(C[5,6]C[5,6]H)(H){1|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	107.8845	0.104	2	107.8845	0.011	2	107.6896	0.086	5	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5]C[6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5]C[6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	107.4665	0.395	2	107.4665	0.156	2	107.6896	0.086	5	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	107.7460	0.000	1	107.7460	0.000	1	107.6896	0.086	5	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[3x5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[3x5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[3x5]C[5,5,6]C[5]2)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[3x5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[3x5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[3x5]C[5,5,6]C[5]2)(C[5,6]C[5,6]H)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[3x5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,2|H<1>,3|C<4>}	107.9860	0.867	2	107.9860	0.752	2	107.9860	0.752	2	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[3x5,6]O[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[3x5,6]O[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	107.6350	0.000	1	107.6350	0.000	1	107.7636	0.317	97	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]2H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]2H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	107.5630	0.000	1	107.3760	0.052	3	107.7636	0.317	97	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]2H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]2H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	107.2825	0.228	2	107.3760	0.052	3	107.7636	0.317	97	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	107.6550	0.000	1	107.6550	0.000	1	107.7636	0.317	97	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	107.6060	0.047	2	107.7798	0.124	5	107.7636	0.317	97	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	108.2920	0.000	1	107.7798	0.124	5	107.7636	0.317	97	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	107.4170	0.000	1	107.7798	0.124	5	107.7636	0.317	97	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	107.9780	0.000	1	107.7798	0.124	5	107.7636	0.317	97	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	107.5995	0.141	2	107.5262	0.048	6	107.7636	0.317	97	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	107.5555	0.197	2	107.5262	0.048	6	107.7636	0.317	97	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,1|N<3>,4|H<1>}	107.1500	0.000	1	107.5262	0.048	6	107.7636	0.317	97	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	107.6970	0.000	1	107.5262	0.048	6	107.7636	0.317	97	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	107.6780	0.140	2	107.7710	0.112	4	107.7636	0.317	97	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	107.8640	0.530	2	107.7710	0.112	4	107.7636	0.317	97	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|B<3>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	107.4780	0.281	2	107.7871	0.402	64	107.7636	0.317	97	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	107.3510	0.069	2	107.7871	0.402	64	107.7636	0.317	97	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	107.8577	0.967	24	107.7871	0.402	64	107.7636	0.317	97	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	107.7145	0.187	4	107.7871	0.402	64	107.7636	0.317	97	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	107.7770	0.273	7	107.7871	0.402	64	107.7636	0.317	97	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	108.1070	0.000	1	107.7871	0.402	64	107.7636	0.317	97	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|N<2>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	107.2840	0.000	1	107.7871	0.402	64	107.7636	0.317	97	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	108.0497	0.590	3	107.7871	0.402	64	107.7636	0.317	97	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	107.7880	0.191	3	107.7871	0.402	64	107.7636	0.317	97	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	107.9780	0.000	1	107.7871	0.402	64	107.7636	0.317	97	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	107.7160	0.000	1	107.7871	0.402	64	107.7636	0.317	97	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	108.0570	0.000	1	107.7871	0.402	64	107.7636	0.317	97	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	107.7808	0.309	5	107.7871	0.402	64	107.7636	0.317	97	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,1|N<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	107.3415	0.319	2	107.7871	0.402	64	107.7636	0.317	97	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	107.9470	0.000	1	107.7871	0.402	64	107.7636	0.317	97	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	107.9680	0.031	2	107.7871	0.402	64	107.7636	0.317	97	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|S<4>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	107.7315	0.049	2	107.7871	0.402	64	107.7636	0.317	97	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){2|C<4>,2|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,1|N<3>,4|H<1>}	107.6235	0.030	2	107.7871	0.402	64	107.7636	0.317	97	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|Si<4>,1|C<3>,1|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]H)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|Si<4>,1|C<3>,1|C<4>,3|H<1>}	107.9335	0.243	2	107.9335	0.059	2	107.7636	0.317	97	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,1|N<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|N<3>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	107.9210	0.205	2	107.9210	0.042	2	107.7636	0.317	97	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,1|N<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|N<3>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,1|N<3>,4|H<1>}	107.8130	0.095	2	107.8690	0.014	3	107.7636	0.317	97	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,1|N<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	107.9810	0.000	1	107.8690	0.014	3	107.7636	0.317	97	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	107.5470	0.000	1	107.5685	0.001	2	107.7636	0.317	97	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,5|H<1>}	107.5900	0.000	1	107.5685	0.001	2	107.7636	0.317	97	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,6]C[5]N[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6]C[5]N[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|Cl<1>,1|C<3>,1|N<3>,1|O<1>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|Cl<1>,1|C<4>,4|H<1>}	107.3530	0.000	1	107.3530	0.000	1	107.7636	0.317	97	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,6]N[5]O[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6]N[5]O[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|Cl<1>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|Cl<1>,1|C<4>,4|H<1>}	108.1117	1.041	3	108.1117	1.085	3	107.7636	0.317	97	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]H)(H)	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]H)(H)	C[5,6](C[3x5,6]B[4x3,4,6x5,21x6]C[5,5,6]C[5,5])(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]H)(H){1|B<6>,1|C<3>,1|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]H)(H){1|B<6>,1|S<2>,2|H<1>}	C[5,6](C[3x5,6]B[4x3,4,6x5,21x6]C[5,5,6]C[5,5])(C[5,6]C[5,5,6]H)(H){1|C<4>,1|S<2>,2|C<5>,3|B<6>,4|H<1>}	108.0417	0.703	3	107.9884	0.268	5	108.0288	0.132	11	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]H)(H)	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]H)(H)	C[5,6](C[3x5,6]B[4x3,4,6x5,21x6]C[5,5,6]C[5,5])(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]H)(H){1|B<6>,1|C<3>,1|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]H)(H){1|B<6>,1|S<3>,2|H<1>}	C[5,6](C[3x5,6]B[4x3,4,6x5,21x6]C[5,5,6]C[5,5])(C[5,6]C[5,5,6]H)(H){1|C<4>,1|S<3>,2|C<5>,3|B<6>,4|H<1>}	107.9085	0.247	2	107.9884	0.268	5	108.0288	0.132	11	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]H)(H)	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]H)(H)	C[5,6](C[3x5,6]B[5x3,6x5,20x6]C[5,5,6]C[5,5])(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]H)(H){1|B<6>,1|C<3>,1|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]H)(H){1|B<6>,1|S<2>,2|H<1>}	C[5,6](C[3x5,6]B[5x3,6x5,20x6]C[5,5,6]C[5,5])(C[5,6]C[5,5,6]H)(H){1|C<4>,1|S<2>,2|C<6>,3|B<6>,4|H<1>}	108.2070	0.214	2	108.0625	0.047	6	108.0288	0.132	11	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]H)(H)	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]H)(H)	C[5,6](C[3x5,6]B[5x3,6x5,20x6]C[5,5,6]C[5,5])(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]H)(H){1|B<6>,1|C<3>,1|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]H)(H){1|B<6>,1|S<3>,2|H<1>}	C[5,6](C[3x5,6]B[5x3,6x5,20x6]C[5,5,6]C[5,5])(C[5,6]C[5,5,6]H)(H){1|C<4>,1|S<3>,2|C<6>,3|B<6>,4|H<1>}	107.9903	0.206	4	108.0625	0.047	6	108.0288	0.132	11	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	107.8370	0.495	2	107.8370	0.245	2	107.5021	18.790	93	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[3,5,6]CH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[3,5,6]CH)(C[5,6]C[5,6]H)(H){2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){3|C<4>,3|H<1>}	108.0440	0.000	1	108.0440	0.000	1	107.5021	18.790	93	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	107.6660	0.000	1	107.6660	0.000	1	107.5021	18.790	93	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6,6]CH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6,6]CH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	107.7770	0.000	1	107.7770	0.000	1	107.5021	18.790	93	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]AuH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|Au<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]AuH)(C[5,6]C[5,6]H)(H){3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|Au<3>,1|C<4>,4|H<1>}	107.7800	0.124	2	107.7800	0.015	2	107.5021	18.790	93	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]H)(H){1|C<2>,1|S<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<2>,1|C<4>,1|S<3>,3|H<1>}	109.5980	0.000	1	109.9497	5.669	4	107.5021	18.790	93	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]H)(H){4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,5|H<1>}	110.0670	2.902	3	109.9497	5.669	4	107.5021	18.790	93	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	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]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<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]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	104.6350	0.000	1	108.0124	8.959	44	107.5021	18.790	93	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	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]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<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]H)(H){1|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	107.5287	0.741	16	108.0124	8.959	44	107.5021	18.790	93	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	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]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<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]H)(H){1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	107.3457	0.478	4	108.0124	8.959	44	107.5021	18.790	93	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	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]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<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]H)(H){1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,1|O<2>,4|H<1>}	107.4250	0.011	2	108.0124	8.959	44	107.5021	18.790	93	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	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]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<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]H)(H){4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,5|H<1>}	110.1790	6.250	9	108.0124	8.959	44	107.5021	18.790	93	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	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]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){2|C<3>,4|H<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]H)(H){1|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,3|H<1>}	107.6310	0.314	2	108.0124	8.959	44	107.5021	18.790	93	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	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]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<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]H)(H){1|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	107.7493	0.709	4	108.0124	8.959	44	107.5021	18.790	93	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	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]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<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]H)(H){1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	107.5580	0.332	6	108.0124	8.959	44	107.5021	18.790	93	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CN)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CN)(C[5,6]C[5,6]H)(H){4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,5|H<1>}	107.5030	0.000	1	107.5030	0.000	1	107.5021	18.790	93	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CO)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<2>,1|C<4>,1|O<2>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CO)(C[5,6]C[5,6]H)(H){4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,5|H<1>}	107.6830	0.000	1	107.6830	0.000	1	107.5021	18.790	93	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CS)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<2>,1|C<4>,1|S<3>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CS)(C[5,6]C[5,6]H)(H){2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,2|C<3>,3|H<1>}	108.0780	0.000	1	107.7940	0.161	2	107.5021	18.790	93	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CS)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,1|S<3>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CS)(C[5,6]C[5,6]H)(H){1|Cl<1>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|Cl<1>,1|C<4>,4|H<1>}	107.5100	0.000	1	107.7940	0.161	2	107.5021	18.790	93	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]ClH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|Cl<1>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]ClH)(C[5,6]C[5,6]H)(H){1|C<3>,1|S<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,1|S<3>,3|H<1>}	108.8830	0.000	1	108.8830	0.000	1	107.5021	18.790	93	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	107.5120	0.000	1	107.5120	0.000	1	107.5021	18.790	93	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){1|C<2>,1|O<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<2>,1|C<4>,1|O<2>,3|H<1>}	106.3300	0.000	1	105.2773	61.660	20	107.5021	18.790	93	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	107.7715	0.114	2	105.2773	61.660	20	107.5021	18.790	93	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	103.9249	10.035	12	105.2773	61.660	20	107.5021	18.790	93	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){1|Rh<5>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|Rh<5>,1|C<4>,4|H<1>}	107.4995	0.029	2	105.2773	61.660	20	107.5021	18.790	93	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){3|C<4>,3|H<1>}	107.1920	1.924	3	105.2773	61.660	20	107.5021	18.790	93	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,1|O<2>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(C[5,6]C[5,6]H)(H){1|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	107.8725	0.161	2	107.8725	0.026	2	107.5021	18.790	93	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HP)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,1|P<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HP)(C[5,6]C[5,6]H)(H){1|P<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,1|P<4>,4|H<1>}	110.1745	1.092	2	110.1745	1.194	2	107.5021	18.790	93	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]RhH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|Rh<5>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]RhH)(C[5,6]C[5,6]H)(H){4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,5|H<1>}	107.6925	0.251	2	107.6925	0.063	2	107.5021	18.790	93	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]CH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|N<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]CH)(C[5,6]C[5,6]H)(H){1|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,3|H<1>}	107.4960	0.083	2	107.4960	0.007	2	107.5021	18.790	93	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,1|O<2>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,2|O<2>,3|H<1>}	108.4900	0.000	1	108.0507	0.156	3	107.5021	18.790	93	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,1|O<2>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,1|O<2>,4|H<1>}	107.8310	0.148	2	108.0507	0.156	3	107.5021	18.790	93	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HO)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,2|O<2>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HO)(C[5,6]C[5,6]H)(H){4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,1|O<2>,4|H<1>}	107.2900	0.000	1	107.2900	0.000	1	107.5021	18.790	93	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	107.1250	0.000	1	107.1250	0.000	1	107.6579	0.127	61	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]2H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]2H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	107.5840	0.000	1	107.5840	0.000	1	107.6579	0.127	61	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,2|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	108.0140	0.000	1	107.7857	0.078	6	107.6579	0.127	61	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	107.7400	0.285	5	107.7857	0.078	6	107.6579	0.127	61	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[5a,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[5a,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	107.5510	0.000	1	107.5510	0.000	1	107.6579	0.127	61	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,1|N<3>,4|H<1>}	107.5620	0.000	1	107.5620	0.000	1	107.6579	0.127	61	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]Cr)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|Cr<9>,2|C<4>,3|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]Cr)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|Cr<9>,2|C<4>,3|H<1>}	107.6085	1.276	2	107.6085	1.629	2	107.6579	0.127	61	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	107.8565	0.320	2	107.8565	0.103	2	107.6579	0.127	61	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	107.5505	0.271	4	107.6269	0.102	35	107.6579	0.127	61	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	108.0070	0.000	1	107.6269	0.102	35	107.6579	0.127	61	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|N<2>,1|N<3>,1|O<1>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,1|N<3>,4|H<1>}	107.8820	0.153	3	107.6269	0.102	35	107.6579	0.127	61	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	107.5300	0.000	1	107.6269	0.102	35	107.6579	0.127	61	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	107.5666	0.238	11	107.6269	0.102	35	107.6579	0.127	61	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	107.2850	0.000	1	107.6269	0.102	35	107.6579	0.127	61	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,2|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,1|N<3>,4|H<1>}	107.6180	0.000	1	107.6269	0.102	35	107.6579	0.127	61	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	107.7293	0.756	4	107.6269	0.102	35	107.6579	0.127	61	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	108.0250	0.000	1	107.6269	0.102	35	107.6579	0.127	61	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|N<3>,1|O<2>,5|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,1|N<3>,4|H<1>}	107.7155	0.202	2	107.6269	0.102	35	107.6579	0.127	61	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	107.5082	0.092	6	107.6269	0.102	35	107.6579	0.127	61	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|Si<4>,1|C<3>,1|C<4>,3|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|Si<4>,2|C<4>,3|H<1>}	107.0640	0.000	1	107.6425	0.669	2	107.6579	0.127	61	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|Si<4>,2|C<4>,3|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|Si<4>,1|C<3>,1|C<4>,3|H<1>}	108.2210	0.000	1	107.6425	0.669	2	107.6579	0.127	61	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]S)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]S)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	107.9870	0.000	1	107.9870	0.000	1	107.6579	0.127	61	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,1|N<3>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	107.8830	0.034	2	107.6346	0.092	5	107.6579	0.127	61	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,1|N<3>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	107.4690	0.285	3	107.6346	0.092	5	107.6579	0.127	61	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]N[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,1|N<3>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]N[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	107.9240	0.000	1	107.7105	0.091	2	107.6579	0.127	61	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]N[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,1|N<3>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]N[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	107.4970	0.000	1	107.7105	0.091	2	107.6579	0.127	61	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6]C[5,6]C[6]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,6,6]C[5,6]C[6]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,3|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	107.7020	0.000	1	107.7020	0.000	1	107.6579	0.127	61	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6]S[5,6]C[6]O[6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]S[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,1|O<2>,1|S<2>,3|H<1>}	C[5,5,6](C[5,6,6]S[5,6]C[6]O[6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]S[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,3|H<1>}	108.1520	0.000	1	108.1520	0.000	1	107.6579	0.127	61	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:Si[3x5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6]Si[3x5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]Si[5,6]H)(Si[3x5]C[5,5,6]C[5]2)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]Si[3x5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]Si[3x5]H)(C[5,6]C[5,5,6]H)(H){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]Si[5,6]H)(Si[3x5]C[5,5,6]C[5]2)(C[5,6]C[5,6]H)(H){4|Si<4>,1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,6,6]Si[3x5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|H<1>,3|C<4>}	111.8920	0.000	1	111.8920	0.000	1	111.8920	0.000	1	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6]C[5,5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5,5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	108.4960	0.000	1	108.4960	0.000	1	108.5027	5.482	16	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6]C[5,5,6]ClH)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|Cl<1>,1|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5,5,6]ClH)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	107.6220	0.000	1	108.1300	0.148	4	108.5027	5.482	16	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6]C[5,5,6]ClH)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|Cl<1>,1|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5,5,6]ClH)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|N<3>,1|O<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>}	108.2993	0.224	3	108.1300	0.148	4	108.5027	5.482	16	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6]C[5,6]C[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[5,6]C[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	117.1670	0.000	1	117.1670	0.000	1	108.5027	5.482	16	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6]C[5,6]C[5a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5,6]C[5a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,5|H<1>}	108.0490	0.000	1	108.0490	0.000	1	108.5027	5.482	16	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,5|H<1>}	107.6105	0.168	2	107.7704	0.133	8	108.5027	5.482	16	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	107.8237	0.409	6	107.7704	0.133	8	108.5027	5.482	16	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6]C[5,6]N[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,5,6](C[5,6]C[5,6]N[5]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,5|H<1>}	107.6490	0.000	1	107.6490	0.000	1	108.5027	5.482	16	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	P[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](P[5,5]C[5,5,6]NN)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[5,5,6](P[5,5]C[5,5,6]NN)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){4|H<1>}	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,1|N<2>,1|N<3>,3|H<1>}	111.5845	0.308	2	111.5845	0.095	2	111.5845	0.095	2	107.7149	5.533	351	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(COO)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(COO){2|C<4>,4|H<1>}	107.4260	0.000	1	107.4260	0.000	1	107.4260	0.000	1	107.7276	0.319	5	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(CN[5]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(CN[5]O){1|C<4>,5|H<1>}	107.2760	0.074	2	107.2760	0.005	2	107.2760	0.005	2	107.7276	0.319	5	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a])(H)	C[5,5,6](C[5,5]C[5,5,6]HS)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a])(H){1|C<4>,1|S<3>,2|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HS)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(C[6a]C[6a]2){1|C<4>,1|S<3>,2|C<3>,6|H<1>}	108.3300	0.216	2	108.3300	0.047	2	108.3300	0.047	2	107.7276	0.319	5	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]H)(CH3)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(H){2|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]H)(H){2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]H)(CH3){1|C<3>,2|C<4>,3|H<1>}	107.7180	0.742	2	107.7180	0.551	2	107.7180	0.551	2	108.4654	4.507	7	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:S[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5,6]S[5,5]H)(C[5,6]C[5,5,6]C)(H)	C[5,5,6](C[5,5,6]C[5,5,6]S[5]H)(S[5,5]C[5,5,6]OO)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]S[5,5]H)(C[5,6]C[5,5,6]H)(CC3)	C[5,6](C[5,5,6]C[5,5,6]S[5,5]H)(C[5,6]C[5,5,6]C)(H){1|C<4>,1|S<4>,2|H<1>,2|O<1>}	C[5,5,6](C[5,5,6]C[5,5,6]S[5]H)(S[5,5]C[5,5,6]OO)(C[5,6]C[5,6]H)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[5,6](C[5,5,6]C[5,5,6]S[5,5]H)(C[5,6]C[5,5,6]H)(CC3){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	111.4170	0.000	1	111.4170	0.000	1	111.4170	0.000	1	108.4654	4.507	7	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:P-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]P)(H)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]H)(PC[6a]2B)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]P)(H){2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,1|P<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]H)(PC[6a]2B){3|C<4>,3|H<1>}	108.3360	0.000	1	108.3360	0.000	1	108.9665	0.795	2	108.4654	4.507	7	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:P-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]P)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(PC[6a]2C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]P)(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){1|P<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(PC[6a]2C){1|C<4>,5|H<1>}	109.5970	0.000	1	109.5970	0.000	1	108.9665	0.795	2	108.4654	4.507	7	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:S-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]S)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(SCOO)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]S)(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){1|S<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(SCOO){1|C<4>,5|H<1>}	104.7520	0.000	1	104.7520	0.000	1	104.7520	0.000	1	108.4654	4.507	7	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:Si-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]Si)(H)	C[5,5,6](C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(SiC3)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]Si)(H){1|Si<4>,1|C<3>,1|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){1|Si<4>,1|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(SiC3){1|Si<4>,1|C<3>,1|C<4>,3|H<1>}	109.7200	0.000	1	109.7200	0.000	1	109.7200	0.000	1	108.4654	4.507	7	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:3:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]H)(H)	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]H)(CCC)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<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]H)(CCC){4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	108.2610	0.000	1	108.2610	0.000	1	108.2610	0.000	1	108.2610	0.000	1	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:3:	4:3:3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C[6a])(C[5,6]C[5,5,6]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C[6a])(C[5,6]C[5,5,6]C[6a])(H){1|C<4>,4|H<1>,5|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(C[6a]C[6a]2){1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(C[6a]C[6a]2){1|C<4>,4|C<3>,5|H<1>}	109.0580	0.338	2	109.0580	0.114	2	109.0580	0.114	2	109.0580	0.114	2	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:4:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]H)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]H)(CH3){1|O<1>,2|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]H)(H){3|C<4>,3|H<1>}	108.7410	0.000	1	108.7410	0.000	1	108.7410	0.000	1	108.3398	0.178	4	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:4:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]H)(CCCO)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]H)(H){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]H)(CCCO){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|H<1>,4|C<4>}	107.9620	0.000	1	107.9620	0.000	1	107.9620	0.000	1	108.3398	0.178	4	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:4:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(CCHH)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(CCHH){1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	108.6680	0.000	1	108.6680	0.000	1	108.3280	0.231	2	108.3398	0.178	4	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:4:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(CC[6a]HH)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(CC[6a]HH){1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	107.9880	0.000	1	107.9880	0.000	1	108.3280	0.231	2	108.3398	0.178	4	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:4:	4:3:2:	C[5,5,6]-4:C[5,6]-3:O-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:N-2:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N)(O)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(NN)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N)(O){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3){1|N<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(NN){2|H<1>,4|C<4>}	105.1035	0.152	2	105.1035	0.023	2	105.1035	0.023	2	105.1035	0.023	2	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:4:	4:3:3:	C[5,5,6]-4:C[5,6]-3:O-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(O)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CC[6a]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(O){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3){1|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CC[6a]O){2|H<1>,4|C<4>}	106.7150	0.000	1	106.7150	0.000	1	105.9140	0.603	3	105.7733	1.316	6	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:4:	4:3:3:	C[5,5,6]-4:C[5,6]-3:O-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(O)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CHN)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(O){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3){1|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CHN){2|H<1>,4|C<4>}	105.5135	0.494	2	105.5135	0.244	2	105.9140	0.603	3	105.7733	1.316	6	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:4:	4:3:3:	C[5,5,6]-4:C[5,6]-3:O-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:N-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N)(O)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(NC[6a]Pt)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N)(O){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3){1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(NC[6a]Pt){2|H<1>,4|C<4>}	105.6327	1.621	3	105.6327	2.629	3	105.6327	2.629	3	105.7733	1.316	6	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	6:4:3:3:	4:3:1:	C[5,5,6]-4:C[5,6]-3:H-1:	B[5x3,5x5,20x6]-6:C[5,5]-4:C[5,6]-3:C[5,6]-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]B[5x3,5x5,20x6]C[5,5]C[5,6])(C[5,6]C[5,5,6]H)(H)	C[5,5,6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]B[5x3,5x5,20x6]C[5,5]C[5,6])(C[5,6]C[5,5,6]H)(H){1|C<3>,2|C<6>,3|B<6>,4|H<1>}	C[5,5,6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)2{1|C<3>,2|S<2>,5|B<6>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|B<6>,2|C<3>,2|H<1>}	105.9450	0.000	1	105.9450	0.000	1	105.9450	0.000	1	105.9450	0.000	1	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:1:	6:4:3:3:	4:3:3:	C[5,5,6]-4:C[5,6]-3:H-1:	B[5x3,5x5,20x6]-6:C[5,5]-4:C[5,6]-3:C[5,6]-3:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,6](C[5,5,6]B[5x3,5x5,20x6]C[5,5]C[5,6])(C[5,6]C[5,5,6]C)(H)	C[5,5,6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(CCO)	C[5,6](C[5,5,6]B[5x3,5x5,20x6]C[5,5]C[5,6])(C[5,6]C[5,5,6]C)(H){1|C<3>,2|C<6>,3|B<6>,4|H<1>}	C[5,5,6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)2{1|C<3>,2|S<2>,5|B<6>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(CCO){1|B<6>,1|C<3>,3|H<1>}	110.3300	0.000	1	110.3300	0.000	1	110.3300	0.000	1	110.3300	0.000	1	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:2:	2:3:3:1:	4:3:2:	C[5,5,6]-4:C[5,6]-3:C-2:	O[5,5]-2:C[5,6]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-2:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(CC)	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(CC)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(CC){1|C<3>,2|H<1>}	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H){1|C<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(CC){1|C<3>,2|H<1>}	104.7475	0.144	4	104.7475	0.021	4	104.7475	0.021	4	104.7475	0.021	4	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:2:	4:2:3:1:	4:3:2:	C[5,5,6]-4:C[5,6]-3:O-2:	C[5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:O-2:	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6]C[5,5,6]O)(OC)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]O)(H)	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6]C[5,5,6]O)(OC)	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6]C[5,5,6]O)(OC){2|C<4>,2|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]O)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6]C[5,5,6]O)(OC){2|C<4>,2|H<1>}	105.4715	0.455	2	105.4715	0.207	2	105.4715	0.207	2	105.4715	0.207	2	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:2:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:N-2:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:O-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(NN)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N)(O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(NN){2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(H){1|C<4>,1|O<1>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N)(O){3|C<4>,3|H<1>}	105.1595	0.272	2	105.1595	0.074	2	105.1595	0.074	2	105.1595	0.074	2	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:2:	4:4:3:3:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C-2:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]C[6a])(CC)	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]C)(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]C[6a])(CC){1|C<4>,4|H<1>,5|C<3>}	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]C)(C[6a]C[6a]2){4|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2){1|C<4>,4|C<3>,5|H<1>}	107.8450	0.000	1	107.8450	0.000	1	107.8450	0.000	1	107.8450	0.000	1	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:2:	4:4:3:4:	4:3:3:	C[5,5,6]-4:C[5,6]-3:O-2:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(OCu)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CC[6a]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(OCu){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3){1|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CC[6a]O){2|H<1>,4|C<4>}	107.6715	0.487	2	107.6715	0.237	2	107.4417	0.251	8	107.4417	0.251	8	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:2:	4:4:3:4:	4:3:3:	C[5,5,6]-4:C[5,6]-3:O-2:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(OCu)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CHN)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(OCu){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3){1|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CHN){2|H<1>,4|C<4>}	107.5170	0.539	4	107.5170	0.291	4	107.4417	0.251	8	107.4417	0.251	8	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:2:	4:4:3:4:	4:3:3:	C[5,5,6]-4:C[5,6]-3:O-2:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(ORu)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CC[6a]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(ORu){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3){1|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CC[6a]O){2|H<1>,4|C<4>}	107.0615	0.476	2	107.0615	0.226	2	107.4417	0.251	8	107.4417	0.251	8	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:2:	4:4:3:4:	4:3:4:	C[5,5,6]-4:C[5,6]-3:O-2:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:P-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]P)(OPd)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(PC[6a]2Pd)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]P)(OPd){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3){1|P<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(PC[6a]2Pd){2|H<1>,4|C<4>}	107.5540	0.151	2	107.5540	0.023	2	107.5540	0.023	2	107.5540	0.023	2	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	2:3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C-3:	O[5,5]-2:C[5,6]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(COO)	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]O)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(COO){1|C<3>,1|C<4>,1|H<1>}	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]O){1|C<3>,2|H<1>}	104.8740	0.000	1	104.8740	0.000	1	104.8367	0.004	3	104.8367	0.004	3	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	2:3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C-3:	O[5,5]-2:C[5,6]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(COO)	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]C)(CC[6]O)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(COO){1|C<3>,1|C<4>,1|H<1>}	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]C)(CC[6]O){1|C<3>,2|H<1>}	104.8730	0.000	1	104.8730	0.000	1	104.8367	0.004	3	104.8367	0.004	3	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	2:3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C-3:	O[5,5]-2:C[5,6]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(COO)	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]C)(COO)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(COO){1|C<3>,1|C<4>,1|H<1>}	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]C)(COO){1|C<3>,2|H<1>}	104.7630	0.000	1	104.7630	0.000	1	104.8367	0.004	3	104.8367	0.004	3	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	2:3:3:3:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C-3:	O[5,5]-2:C[5,6]-3:C[5,6]-3:C-3:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]C)(COO)	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)2(COO)	C[5,6](C[5,5,6]C[5,6]O[5,5]O)(C[5,6]C[5,5,6]C)(COO)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]C)(COO){1|O<2>,2|C<3>}	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)2(COO){1|C<3>,1|C<4>,1|O<2>}	C[5,6](C[5,5,6]C[5,6]O[5,5]O)(C[5,6]C[5,5,6]C)(COO){1|C<4>,2|C<3>}	105.5330	0.000	1	105.5330	0.000	1	105.5330	0.000	1	105.5330	0.000	1	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	2:3:3:3:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-3:	O[5,5]-2:C[5,6]-3:C[5,6]-3:C-3:	C[5,5,6]-4:C[5,6]-3:C[3]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]C[3])(COO)	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)2(COO)	C[5,6](C[5,5,6]C[5,6]O[5,5]O)(C[5,6]C[5,5,6]C)(C[3]C[3,5]2C)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]C[3])(COO){1|O<2>,2|C<4>,3|C<3>}	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)2(COO){1|C<3>,1|C<4>,1|O<2>}	C[5,6](C[5,5,6]C[5,6]O[5,5]O)(C[5,6]C[5,5,6]C)(C[3]C[3,5]2C){1|C<4>,1|O<2>,5|C<3>}	105.6730	0.000	1	105.6730	0.000	1	105.6730	0.000	1	105.6730	0.000	1	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	2:3:3:4:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C-3:	O[5,5]-2:C[5,6]-3:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]O)	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CCHH)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(COO)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]O){1|C<3>,2|H<1>}	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CCHH){1|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(COO){1|C<3>,1|C<4>,1|H<1>}	105.1950	0.000	1	105.1950	0.000	1	105.3392	0.098	5	105.3392	0.098	5	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	2:3:3:4:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C-3:	O[5,5]-2:C[5,6]-3:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]C)(CC[6]O)	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CCHH)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(COO)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]C)(CC[6]O){1|C<3>,2|H<1>}	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CCHH){1|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(COO){1|C<3>,1|C<4>,1|H<1>}	105.2230	0.000	1	105.2230	0.000	1	105.3392	0.098	5	105.3392	0.098	5	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	2:3:3:4:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C-3:	O[5,5]-2:C[5,6]-3:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]C)(COO)	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CH3)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]C)(COO)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]C)(COO){1|C<3>,1|C<4>,1|H<1>}	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]C)(COO){1|C<3>,1|C<4>,1|H<1>}	105.3460	0.544	2	105.3460	0.296	2	105.3392	0.098	5	105.3392	0.098	5	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	2:3:3:4:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C-3:	O[5,5]-2:C[5,6]-3:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]C)(COO)	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CHHN)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(COO)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]C)(COO){1|C<3>,2|H<1>}	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CHHN){1|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(COO){1|C<3>,1|C<4>,1|H<1>}	105.5860	0.000	1	105.5860	0.000	1	105.3392	0.098	5	105.3392	0.098	5	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	3:2:3:2:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,6]-3:O[5,5]-2:C[5,6]-3:O-2:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,6](C[5,5,6]C[5,6]O[5,5]O)(C[5,6]C[5,5,6]C)(COO)	C[5,5,6](C[5,6]C[5,6]C[3])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(OC)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]C)(COO)	C[5,6](C[5,5,6]C[5,6]O[5,5]O)(C[5,6]C[5,5,6]C)(COO){1|C<4>,2|C<3>}	C[5,5,6](C[5,6]C[5,6]C[3])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(OC){2|C<4>,4|C<3>}	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]C)(COO){1|O<2>,2|C<3>}	104.8140	0.000	1	104.8140	0.000	1	104.8140	0.000	1	104.8140	0.000	1	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	3:2:3:3:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]C)(COO)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]C)(COO)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]C)(COO){5|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]C)(COO){5|C<3>}	106.1550	0.546	2	106.1550	0.298	2	106.1550	0.298	2	106.1550	0.298	2	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	3:2:3:4:	4:3:1:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]H)(CN[5]O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]C)(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]H)(CN[5]O){1|C<4>,2|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]C)(H){1|C<4>,2|C<3>}	106.2060	0.000	1	106.2060	0.000	1	106.2060	0.000	1	106.2060	0.000	1	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	3:2:3:4:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]C)(COO)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]C)(COO)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]C)(COO){1|C<4>,2|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]C)(COO){1|C<4>,2|C<3>}	104.9960	0.000	1	104.9960	0.000	1	105.5320	0.575	2	105.5320	0.575	2	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	3:2:3:4:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]C)(COO)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CHHN)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]C)(COO)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]C)(COO){1|C<4>,2|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CHHN){1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]C)(COO){1|C<4>,2|C<3>}	106.0680	0.000	1	106.0680	0.000	1	105.5320	0.575	2	105.5320	0.575	2	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	3:3:2:1:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6,6a]-3:C[5,6]-3:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6]C[5,6]C[6a])(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6]C[5,6]C[6a])(O[5,5]C[5,5,6])(H){1|H<1>,6|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	104.8487	0.128	4	104.8487	0.016	4	104.8487	0.016	4	104.6284	0.071	11	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	3:3:2:1:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[5,6]-3:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[5,5,6](C[5,6]C[5,6]C[6a])2(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[5,5,6](C[5,6]C[5,6]C[6a])2(O[5,5]C[5,5,6])(H){1|H<1>,6|C<3>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	104.5024	0.242	7	104.5024	0.059	7	104.5024	0.059	7	104.6284	0.071	11	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	3:3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5]-3:C[5,6]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CNO)	C[5,5,6](C[5,5]C[5,5,6]C)(C[5,6]C[5,6]C)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CNO)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CNO){1|H<1>,3|C<3>}	C[5,5,6](C[5,5]C[5,5,6]C)(C[5,6]C[5,6]C)2(H){1|H<1>,2|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CNO){1|H<1>,3|C<3>}	106.9288	0.154	6	106.9288	0.024	6	106.9288	0.024	6	106.7626	0.118	8	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	3:3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,6,6a]-3:N[5,5]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]C)(COO)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]C[6a])(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]C)(COO)	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]C)(COO){1|H<1>,3|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]C[6a])(C[5,6]C[5,6]C)(H){2|H<1>,5|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]C)(COO){1|H<1>,3|C<3>}	106.2640	0.218	2	106.2640	0.047	2	106.2640	0.047	2	106.7626	0.118	8	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	3:3:3:4:	3:3:3:	C[5,5,6]-4:C[5,6]-3:C[5]-3:	C[5,5,6]-3:C[5,6a]-3:C[5,6]-3:C[5,6]-4:	C[5,6a]-3:C[5,6]-3:C[5,6]-3:	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]C[6a])	C[5,5,6](C[5,5,6]C[5,5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]2)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[5])2	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]C[6a]){10|C<3>,2|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]2){10|C<3>,5|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[5])2{1|H<1>,2|C<4>,8|C<3>}	119.5940	0.000	1	119.5940	0.000	1	119.5940	0.000	1	117.7875	6.527	2	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	3:3:3:4:	3:3:3:	C[5,5,6]-4:C[5,6]-3:C[5]-3:	C[5,5,6]-3:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,6a]-3:C[5,6]-3:C[5,6]-3:	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]C[6a])	C[5,5,6](C[5,5,6]C[5,5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]C[5,6]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[5])2	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]C[6a]){2|C<4>,2|H<1>,8|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]C[5,6]HH){10|C<3>,1|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[5])2{1|H<1>,2|C<4>,8|C<3>}	115.9810	0.000	1	115.9810	0.000	1	115.9810	0.000	1	117.7875	6.527	2	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	3:3:4:3:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[5,5]-3:C[5,6]-4:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[5,5,6]C[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](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]CH)(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<1>,3|H<1>,8|C<3>}	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]CH)(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<1>,4|H<1>,7|C<3>}	108.6330	0.000	1	108.6330	0.000	1	108.9637	0.121	3	108.9637	0.121	3	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	3:3:4:3:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[5,5]-3:C[5,6]-4:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[5,5,6]C[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](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<1>,4|H<1>,7|C<3>}	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<1>,3|H<1>,8|C<3>}	109.1290	0.279	2	109.1290	0.078	2	108.9637	0.121	3	108.9637	0.121	3	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	3:4:2:1:	4:3:1:	C[5,5,6]-4:C[6a]-3:C[5,6]-3:	C[5,6]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[5a,6a]C[6a])(C[5,6]C[5,5,6]H)	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C[6a])(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[5a,6a]C[6a])(C[5,6]C[5,5,6]H){1|C<4>,3|H<1>,4|C<3>}	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H){2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C[6a])(H){1|C<4>,2|C<3>,3|H<1>}	105.5440	0.000	1	105.5440	0.000	1	105.5440	0.000	1	105.5440	0.000	1	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	3:4:3:4:	3:3:4:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[5,5]-4:C[5,6]-3:C-4:	P[5,5,6]-3:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C)(C[6a]C[6a]2)	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3)	C[5,6](P[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,5,6]C[6a])(CCHO)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C)(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3){1|C<4>,3|C<3>}	C[5,6](P[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,5,6]C[6a])(CCHO){1|C<4>,2|H<1>,4|C<3>}	112.2490	0.460	2	112.2490	0.211	2	112.2490	0.211	2	112.2490	0.211	2	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	3:4:4:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(C[6a]C[6a]2)	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HS)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(C[6a]C[6a]2){1|C<4>,1|S<3>,2|C<3>,6|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HS)(C[5,6]C[5,6]HH)(H){2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a])(H){1|C<4>,1|S<3>,2|C<3>,4|H<1>}	106.7435	0.182	2	106.7435	0.033	2	106.7435	0.033	2	106.7435	0.033	2	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	3:4:4:1:	4:3:2:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-3:C-2:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]C[6a])(CC)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2){1|C<4>,4|C<3>,5|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(H){1|C<2>,1|H<1>,4|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]C[6a])(CC){1|C<4>,4|H<1>,5|C<3>}	106.1680	0.000	1	106.1680	0.000	1	106.1680	0.000	1	106.1680	0.000	1	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	4:2:3:1:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C-3:	C[4,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,6](C[5,5,6]C[4,5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(COO)	C[5,5,6](C[4,5,6]C[4,5,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[4,5,6]O[5,5]C)(C[5,6]C[5,5,6]C)(COO)	C[5,6](C[5,5,6]C[4,5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(COO){1|C<3>,1|H<1>,2|C<4>}	C[5,5,6](C[4,5,6]C[4,5,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[4,5,6]O[5,5]C)(C[5,6]C[5,5,6]C)(COO){2|C<4>,2|H<1>}	106.2420	0.000	1	106.2420	0.000	1	105.6547	0.265	3	105.6094	0.145	5	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	4:2:3:1:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C-3:	C[4,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,6](C[5,5,6]C[4,5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(COO)	C[5,5,6](C[4,5,6]C[4,5,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[4,5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(COO)	C[5,6](C[5,5,6]C[4,5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(COO){2|C<4>,2|H<1>}	C[5,5,6](C[4,5,6]C[4,5,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[4,5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(COO){2|C<4>,2|H<1>}	105.3610	0.116	2	105.3610	0.013	2	105.6547	0.265	3	105.6094	0.145	5	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	4:2:3:1:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,6]-3:C-3:	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]C)(COO)	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6,6]C[5,5,3x6]C[6,6]O[5,5])(C[5,6]C[5,5,6]C)(COO)	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]C)(COO){1|H<1>,3|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]C)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6,6]C[5,5,3x6]C[6,6]O[5,5])(C[5,6]C[5,5,6]C)(COO){1|N<3>,3|C<4>,3|H<1>}	105.4120	0.000	1	105.4120	0.000	1	105.5415	0.034	2	105.6094	0.145	5	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	4:2:3:1:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,6]-3:C-3:	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]C)(COO)	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]C)(COO)	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]C)(COO){1|H<1>,3|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]C)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]C)(COO){1|N<3>,2|C<4>,4|H<1>}	105.6710	0.000	1	105.6710	0.000	1	105.5415	0.034	2	105.6094	0.145	5	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	4:2:3:3:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C-3:	C[4,5,6]-4:O[5,5]-2:C[5,6]-3:C-3:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,6](C[5,5,6]C[4,5,6]O[5,5]C)(C[5,6]C[5,5,6]C)(COO)	C[5,5,6](C[4,5,6]C[4,5,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(COO)	C[5,6](C[5,5,6]C[4,5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(COO)	C[5,6](C[5,5,6]C[4,5,6]O[5,5]C)(C[5,6]C[5,5,6]C)(COO){2|C<4>,2|H<1>}	C[5,5,6](C[4,5,6]C[4,5,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(COO){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[4,5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(COO){1|C<3>,1|H<1>,2|C<4>}	104.6890	0.000	1	104.6890	0.000	1	104.6890	0.000	1	104.6890	0.000	1	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	4:2:3:4:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]C)(CCO)	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CCHH)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]C)(CCO){1|C<3>,1|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CCHH){1|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(CH3){4|C<4>}	105.7330	0.314	2	105.7330	0.099	2	105.7330	0.099	2	105.7330	0.099	2	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	4:3:2:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:C[5a]-3:	C[5,5,6]-4:C[5,6]-3:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(C[5a]C[5a]2)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[5a])(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]C[5a])(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(C[5a]C[5a]2){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[5a])(O[5,5]C[5,5,6])(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]C[5a])(H){1|C<4>,2|H<1>,3|C<3>}	104.5770	0.000	1	104.5770	0.000	1	104.5770	0.000	1	104.5770	0.000	1	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	4:3:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5]-4:C[5,6]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(CCO)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]B[5x3,5x5,20x6]C[5,5]C[5,6])(C[5,6]C[5,5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(CCO){1|B<6>,1|C<3>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H){1|B<6>,2|H<1>}	C[5,6](C[5,5,6]B[5x3,5x5,20x6]C[5,5]C[5,6])(C[5,6]C[5,5,6]C)(H){1|C<3>,2|C<6>,3|B<6>,4|H<1>}	105.6380	0.000	1	105.6380	0.000	1	105.6380	0.000	1	105.6380	0.000	1	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	4:3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5]-4:C[5,6]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CNO)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CNO)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CNO){1|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H){1|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CNO){1|C<3>,4|H<1>}	106.3760	0.570	2	106.3760	0.325	2	106.3760	0.325	2	107.5380	1.469	5	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	4:3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C[5,5]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]C[5])(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C[6a])(C[5,6]C[5,5,6]C[6a])(CCH)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]C[5])(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(H){1|H<1>,9|C<3>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C[6a])(C[5,6]C[5,5,6]C[6a])(CCH){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	108.9730	0.000	1	108.9730	0.000	1	108.9730	0.000	1	107.5380	1.469	5	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	4:3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C[5,5]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(H){1|H<1>,1|O<1>,6|C<3>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	107.5370	0.000	1	107.5370	0.000	1	107.9825	0.397	2	107.5380	1.469	5	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	4:3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C[5,5]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]C[5])(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]C[5])(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(H){2|H<1>,8|C<3>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	108.4280	0.000	1	108.4280	0.000	1	107.9825	0.397	2	107.5380	1.469	5	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	4:3:3:3:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5,6]-4:C[5,5]-3:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C[6a])(C[5,6]C[5,5,6]C[6a])(CCH)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C[6a])(C[5,6]C[5,5,6]C[6a])(CCH){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(C[6a]C[6a]2){1|O<1>,3|H<1>,6|C<3>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	108.0440	0.000	1	108.0440	0.000	1	108.0440	0.000	1	108.3430	0.179	2	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	4:3:3:3:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6]-4:C[5,6]-3:C[5,5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[5,5,6]C[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](C[5,6]C[5,6]C[6a]H)(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<1>,3|H<1>,8|C<3>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(C[6a]C[6a]2){4|H<1>,8|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<1>,4|H<1>,7|C<3>}	108.6420	0.000	1	108.6420	0.000	1	108.6420	0.000	1	108.3430	0.179	2	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	4:3:4:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(C[6a]C[6a]2)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C[6a])(C[5,6]C[5,5,6]C[6a])(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(C[6a]C[6a]2){1|C<4>,4|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C[6a])(C[5,6]C[5,5,6]C[6a])(H){1|C<4>,4|H<1>,5|C<3>}	106.1955	0.409	2	106.1955	0.168	2	106.1955	0.168	2	106.1955	0.168	2	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(COO)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(COO){2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(H){2|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(H){1|C<3>,1|C<4>,4|H<1>}	107.7690	0.000	1	107.7690	0.000	1	107.7690	0.000	1	105.7667	3.024	11	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5,6]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]H)(CCH)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]O)(C[5,6]C[5,6,6]CH)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,5,6]C)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]H)(CCH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]O)(C[5,6]C[5,6,6]CH)(C[5,6]C[5,6]C)(H){1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,5,6]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	106.8990	0.000	1	106.8990	0.000	1	106.8990	0.000	1	105.7667	3.024	11	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(CN[5]O)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(CN[5]O){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H){4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(H){1|C<4>,5|H<1>}	107.4940	0.225	2	107.4940	0.051	2	107.4940	0.051	2	105.7667	3.024	11	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:O-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CC[6a]O)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CC[6a]O){2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H){1|C<4>,1|O<1>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(O){3|C<4>,3|H<1>}	104.7130	0.000	1	104.7130	0.000	1	105.2133	0.189	3	105.7667	3.024	11	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:O-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CHN)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CHN){2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H){1|C<4>,1|O<1>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(O){3|C<4>,3|H<1>}	105.4635	0.054	2	105.4635	0.003	2	105.2133	0.189	3	105.7667	3.024	11	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:N-3:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:O-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(NC[6a]Pt)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N)(O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(NC[6a]Pt){2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(H){1|C<4>,1|O<1>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N)(O){3|C<4>,3|H<1>}	104.5345	1.963	4	104.5345	3.853	4	104.5345	3.853	4	105.7667	3.024	11	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	4:4:3:1:	4:3:2:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:O-2:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CC[6a]O)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(OCu)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CC[6a]O){2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H){1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(OCu){3|C<4>,3|H<1>}	104.9835	0.217	2	104.9835	0.047	2	105.2567	0.173	7	105.2567	0.173	7	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	4:4:3:1:	4:3:2:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:O-2:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CC[6a]O)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(ORu)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CC[6a]O){2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H){1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(ORu){3|C<4>,3|H<1>}	105.5490	0.566	2	105.5490	0.320	2	105.2567	0.173	7	105.2567	0.173	7	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	4:4:3:1:	4:3:2:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:O-2:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CHN)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(OCu)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CHN){2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H){1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(OCu){3|C<4>,3|H<1>}	105.2440	0.418	3	105.2440	0.175	3	105.2567	0.173	7	105.2567	0.173	7	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CC[6a]H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CC[6a]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CC[6a]H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H){1|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CC[6a]H){1|C<4>,5|H<1>}	104.8001	0.210	8	104.8001	0.044	8	104.8001	0.044	8	105.3805	1.203	11	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,6]-3:N-3:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:N-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(NC[6a]Pd)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N)(NC[6a]Pd)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(NC[6a]Pd){2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(H){1|C<4>,1|N<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N)(NC[6a]Pd){3|C<4>,3|H<1>}	107.4160	0.000	1	107.4160	0.000	1	107.4160	0.000	1	105.3805	1.203	11	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,6]-3:N-3:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:P-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]P)(NC[6a]Si)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(PCN)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]P)(NC[6a]Si){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(H){1|P<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(PCN){1|C<4>,5|H<1>}	107.5460	0.000	1	107.5460	0.000	1	107.5460	0.000	1	105.3805	1.203	11	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,6]-3:P-3:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:N-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(PCN)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]P)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]P)(NC[6a]Si)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(PCN){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]P)(H){1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]P)(NC[6a]Si){1|C<4>,5|H<1>}	105.8230	0.000	1	105.8230	0.000	1	105.8230	0.000	1	105.3805	1.203	11	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	4:4:3:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:N-3:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:P[5]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]P[5])(NC[6a]Ge)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(P[5]N[5]2Rh)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]P[5])(NC[6a]Ge){1|Rh<6>,1|C<4>,2|N<3>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(H){1|P<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(P[5]N[5]2Rh){1|C<3>,4|C<4>,5|H<1>}	106.5240	0.000	1	106.5240	0.000	1	106.5240	0.000	1	106.5240	0.000	1	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	4:4:3:3:	4:3:2:	C[5,5,6]-4:C[5,6]-3:N-3:	C[5,6]-4:C[5,5]-4:C[5,6]-3:C-3:	C[5,5,6,6]-4:C[5,6]-3:C-2:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6,6]C)(NHH)	C[5,5,6](C[5,6]C[5,6,6]C[6a]H)(C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6]N)(CCO)	C[5,6](C[5,5,6,6]C[5,6,6]C[6,6a]C[5,5])(C[5,6]C[5,5,6]N)(CN)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6,6]C)(NHH){1|C<4>,2|C<3>,3|H<1>}	C[5,5,6](C[5,6]C[5,6,6]C[6a]H)(C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6]N)(CCO){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,5,6,6]C[5,6,6]C[6,6a]C[5,5])(C[5,6]C[5,5,6]N)(CN){2|C<4>,3|C<3>,3|H<1>}	106.5510	0.000	1	106.5510	0.000	1	106.5510	0.000	1	106.5510	0.000	1	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:3:	4:4:3:4:	4:3:3:	C[5,5,6]-4:C[5,6]-3:N-3:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:N-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N)(NC[6a]Pd)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(NC[6a]Pd)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N)(NC[6a]Pd){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(CH3){1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(NC[6a]Pd){2|H<1>,4|C<4>}	105.4050	0.000	1	105.4050	0.000	1	105.4050	0.000	1	105.4050	0.000	1	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	3:2:3:2:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C[3]-4:	C[5,6]-3:O[5,5]-2:C[5,6]-3:O-2:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,6](C[5,5,6]C[5,6]O[5,5]O)(C[5,6]C[5,5,6]C)(C[3]C[3,5]2C)	C[5,5,6](C[5,6]C[5,6]C[3])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(OC)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]C[3])(COO)	C[5,6](C[5,5,6]C[5,6]O[5,5]O)(C[5,6]C[5,5,6]C)(C[3]C[3,5]2C){1|C<4>,1|O<2>,5|C<3>}	C[5,5,6](C[5,6]C[5,6]C[3])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(OC){2|C<4>,4|C<3>}	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]C[3])(COO){1|O<2>,2|C<4>,3|C<3>}	104.2290	0.000	1	104.2290	0.000	1	104.2290	0.000	1	104.2290	0.000	1	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	3:2:3:3:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:S-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]S)(CCHH)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]C)(SC[6a]OO)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]S)(CCHH){5|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6a]C[6a]2){1|S<4>,3|H<1>,5|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]C)(SC[6a]OO){5|C<3>}	104.1430	0.000	1	104.1430	0.000	1	104.1430	0.000	1	105.8010	5.498	2	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	3:2:3:3:	4:3:4:	C[5,5,6]-4:C[5,6]-3:S-4:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]C)(SC[6a]OO)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]S)(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]S)(CCHH)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]C)(SC[6a]OO){5|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]S)(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]S)(CCHH){5|C<3>}	107.4590	0.000	1	107.4590	0.000	1	107.4590	0.000	1	105.8010	5.498	2	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	3:2:3:4:	4:3:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]H)(CH3)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CHHO)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]C)(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]H)(CH3){1|H<1>,2|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CHHO){2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]C)(H){1|C<4>,2|C<3>}	104.8760	0.000	1	104.8760	0.000	1	104.8760	0.000	1	104.8760	0.000	1	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	3:3:3:4:	4:3:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6,6a]-3:C[5,5]-3:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6]C[5,5,6]H)(CC3)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(CC3)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6]C[5,5,6]C)(H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6]C[5,5,6]H)(CC3){1|C<4>,1|O<1>,2|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(CC3){1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6]C[5,5,6]C)(H){1|C<4>,1|O<1>,2|C<3>}	106.5300	0.000	1	106.5300	0.000	1	106.5300	0.000	1	106.5300	0.000	1	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	3:3:3:4:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5]-3:C[5,6]-3:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[5,5]C[5,5,6]C)(C[5,6]C[5,6]C)(C[5,6]C[5,6]N)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CH3){1|C<3>,1|N<3>,2|C<4>}	C[5,5,6](C[5,5]C[5,5,6]C)(C[5,6]C[5,6]C)(C[5,6]C[5,6]N)(CH3){1|N<3>,2|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CH3){1|C<3>,1|N<3>,2|C<4>}	109.0880	0.747	4	109.0880	0.557	4	109.0880	0.557	4	109.0880	0.557	4	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	3:4:3:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|C<3>,1|N<2>,3|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|C<3>,1|N<2>,3|H<1>}	107.6560	0.000	1	107.6560	0.000	1	107.6560	0.000	1	107.6560	0.000	1	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	3:4:3:4:	3:3:3:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:C[5,5]-4:C[5,6]-3:C-4:	P[5,5,6]-3:C[5,6]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C[6a])(CH3)	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3)	C[5,6](P[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C[6a])(CH3){2|H<1>,4|C<3>}	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3){1|C<4>,3|C<3>}	C[5,6](P[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,5,6]C)(C[6a]C[6a]2){2|C<4>,3|C<3>,4|H<1>}	111.6330	0.000	1	111.6330	0.000	1	111.6330	0.000	1	111.6330	0.000	1	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	3:4:3:4:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:C[5,5]-4:C[5,6]-3:C-4:	P[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C[6a])(CH3)	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3)	C[5,6](P[5,5,6]C[5,5]C[5,6]Pd)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C[6a])(CH3){1|Pd<4>,2|H<1>,4|C<3>}	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3){1|Pd<4>,4|C<3>}	C[5,6](P[5,5,6]C[5,5]C[5,6]Pd)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2){1|C<4>,4|C<3>,4|H<1>}	112.9150	0.000	1	112.9150	0.000	1	112.8515	0.008	2	112.8515	0.008	2	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	3:4:3:4:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:C[5,5]-4:C[5,6]-3:C-4:	P[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C[6a])(CH3)	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3)	C[5,6](P[5,5,6]C[5,5]C[5,6]Rh)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C[6a])(CH3){1|Rh<6>,2|H<1>,4|C<3>}	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3){1|Rh<6>,4|C<3>}	C[5,6](P[5,5,6]C[5,5]C[5,6]Rh)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2){1|C<4>,4|C<3>,4|H<1>}	112.7880	0.000	1	112.7880	0.000	1	112.8515	0.008	2	112.8515	0.008	2	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(CC[5]CC)	C[5,5,6](C[5,6]C[5,6]C[6a]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(CC[5]CC){1|C<4>,1|H<1>,2|C<3>}	C[5,5,6](C[5,6]C[5,6]C[6a]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(H){3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(H){1|C<3>,1|C<4>,2|H<1>}	105.2700	0.000	1	105.2700	0.000	1	104.9775	0.171	2	104.6992	0.303	5	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(CH3)	C[5,5,6](C[5,6]C[5,6]FF)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(CH3){1|C<4>,1|H<1>,2|F<1>}	C[5,5,6](C[5,6]C[5,6]FF)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(H){1|C<3>,1|O<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	104.6850	0.000	1	104.6850	0.000	1	104.9775	0.171	2	104.6992	0.303	5	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:2:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:P-4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(PC[6a]2Pt)	C[5,5,6](C[5,6]C[5,6]HP)(O[5,5]C[5,5,6])(C[5,6]C[5,6]P)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]P)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(PC[6a]2Pt){1|C<4>,1|P<4>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]HP)(O[5,5]C[5,5,6])(C[5,6]C[5,6]P)(H){4|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]P)(H){1|C<4>,3|H<1>}	104.5137	0.625	3	104.5137	0.391	3	104.5137	0.391	3	104.6992	0.303	5	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:2:3:1:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[5,6]C[5,6]CC)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]C)(CCO)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(CH3){4|C<4>}	C[5,5,6](C[5,6]C[5,6]CC)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]C)(CCO){1|C<3>,1|C<4>,2|H<1>}	104.4625	0.373	2	104.4625	0.139	2	104.4625	0.139	2	104.4625	0.139	2	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:2:3:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]C)(CF3)	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]C)(CF3)	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]C)(CF3){1|H<1>,3|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]C)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]C)(CF3){1|N<3>,2|C<4>,4|H<1>}	105.8627	0.182	3	105.7463	0.076	4	105.7463	0.076	4	105.7463	0.076	4	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:2:3:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]C)(CF3)	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]C)(CF3)	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]C)(CF3){1|H<1>,3|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]C)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]C)(CF3){1|S<2>,2|C<4>,4|H<1>}	105.3970	0.000	1	105.7463	0.076	4	105.7463	0.076	4	105.7463	0.076	4	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:2:3:3:	4:3:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[3,5,6]-4:O[5,5]-2:C[5,6]-3:C-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[3,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(CF3)	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(COO)	C[5,6](C[5,5,6]C[3,5,6]O[5,5]O)(C[5,6]C[5,5,6]C)(H)	C[5,6](C[5,5,6]C[3,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(CF3){1|C<3>,1|O<2>,2|C<4>}	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(COO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,5,6]C[3,5,6]O[5,5]O)(C[5,6]C[5,5,6]C)(H){1|C<3>,3|C<4>}	105.5500	0.086	2	105.5500	0.007	2	105.5500	0.007	2	105.5500	0.007	2	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:2:3:4:	4:3:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(CH3)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CH3){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(H){1|C<3>,1|H<1>,2|C<4>}	105.4855	0.110	2	105.4855	0.012	2	105.4855	0.012	2	105.4855	0.012	2	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:3:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,5]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(CC[6a]2O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]C)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(CC[6a]2O){1|C<4>,2|C<3>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]C)(C[5,6]C[5,6]C)(H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(H){1|C<4>,2|C<3>,2|H<1>}	108.0210	0.000	1	108.0210	0.000	1	108.0210	0.000	1	107.2196	1.437	5	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:3:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:C[6]-4:	C[5,5]-4:C[5,6]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(C[6]C[6]2H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C[6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(C[6]C[6]2H){1|C<4>,2|C<3>,8|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C[6])(C[5,6]C[5,6]H)(H){3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6])(H){1|C<3>,3|C<4>,4|H<1>}	106.3833	0.214	3	106.3833	0.046	3	106.3833	0.046	3	107.2196	1.437	5	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:3:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:S-4:	C[5,5]-4:C[5,6]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(SC[6a]OO)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(C[5,6]C[5,6]S)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]S)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(SC[6a]OO){1|C<3>,1|O<2>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(C[5,6]C[5,6]S)(H){3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]S)(H){1|C<3>,1|O<2>,3|H<1>}	108.9270	0.000	1	108.9270	0.000	1	108.9270	0.000	1	107.2196	1.437	5	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:3:3:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,5]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CCHH)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|C<3>,1|O<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CCHH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	107.9940	0.000	1	107.9940	0.000	1	107.9940	0.000	1	108.0408	3.879	4	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:3:3:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5]-4:C[5,6]-3:C[5,6]-3:Cl-1:	C[5,5,6]-4:C[5,6]-3:C-4:	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)	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]C)(CClHH)	C[5,6](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>}	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>}	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>}	106.6640	0.041	2	106.6640	0.002	2	106.6640	0.002	2	108.0408	3.879	4	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:3:3:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	P[5,5,6]-4:C[5,6,6]-3:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,6,6]P[5,5,6]H)(C[5,6]C[5,5,6,6]C)(CH3)	C[5,5,6](P[5,5,6]C[5,5,6,6]C[6]W)(C[5,6,6]C[5,3x6]C[6])(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6,6]C[5,3x6]P[5,5,6]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,6,6]P[5,5,6]H)(C[5,6]C[5,5,6,6]C)(CH3){1|C<3>,1|H<1>,1|W<6>,2|C<4>}	C[5,5,6](P[5,5,6]C[5,5,6,6]C[6]W)(C[5,6,6]C[5,3x6]C[6])(C[5,6]C[5,6]C)(H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,5,6,6]C[5,3x6]P[5,5,6]H)(C[5,6]C[5,5,6]C)(CH3){1|H<1>,1|W<6>,2|C<3>,2|C<4>}	110.8410	0.000	1	110.8410	0.000	1	110.8410	0.000	1	108.0408	3.879	4	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:3:3:4:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,5]-3:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CCHH)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(CCCH)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CCHH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(CCCH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|C<3>,1|O<1>,3|C<4>}	109.6640	0.000	1	109.6640	0.000	1	109.6640	0.000	1	109.8655	0.081	2	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:3:3:4:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5]-4:As[5,6]-3:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]As[5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[5,5]C[5,5,6]CH)(As[5,6]P[5,6]P)(C[5,6]C[5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5]P[5,6]C)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]As[5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CH3){1|H<1>,2|C<4>,2|P<4>}	C[5,5,6](C[5,5]C[5,5,6]CH)(As[5,6]P[5,6]P)(C[5,6]C[5,6]C)(CH3){1|H<1>,1|W<6>,2|C<4>}	C[5,6](C[5,5,6]C[5,5]P[5,6]C)(C[5,6]C[5,5,6]C)(CH3){1|As<3>,1|W<6>,2|C<4>,2|H<1>}	110.0670	0.000	1	110.0670	0.000	1	110.0670	0.000	1	109.8655	0.081	2	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:3:4:1:	4:3:3:	C[5,5,6]-4:C[5,6]-3:P[5]-4:	C[5,5]-4:C[5,6]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-3:N-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(P[5]N[5]2Rh)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]P[5])(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]P[5])(NC[6a]Ge)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(P[5]N[5]2Rh){1|C<3>,4|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]P[5])(C[5,6]C[5,6]HH)(H){1|Rh<6>,3|H<1>,3|N<3>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]P[5])(NC[6a]Ge){1|Rh<6>,1|C<4>,2|N<3>,5|H<1>}	104.5880	0.000	1	104.5880	0.000	1	104.5880	0.000	1	104.5880	0.000	1	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:3:4:2:	3:4:3:	C[5,5,6]-4:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[5,6]-3:C[5]-4:O[5]-2:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,6]C[5]C[6])(C[5]O[5]HH)	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5,6]C[5,6]C[5])(C[5]C[5]HH)(O[5]C[5])	C[5,6](C[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(C[5]O[5]O)	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,6]C[5]C[6])(C[5]O[5]HH){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5,6]C[5,6]C[5])(C[5]C[5]HH)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|O<2>,8|H<1>}	C[5,6](C[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(C[5]O[5]O){1|O<2>,2|C<4>,4|H<1>}	124.1200	0.000	1	124.1200	0.000	1	124.1200	0.000	1	124.1200	0.000	1	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:S[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]S[5,5]H)(C[5,6]C[5,5,6]H)(CC3)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(S[5,5]C[5,5,6]OO)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5,6]S[5,5]H)(C[5,6]C[5,5,6]C)(H)	C[5,6](C[5,5,6]C[5,5,6]S[5,5]H)(C[5,6]C[5,5,6]H)(CC3){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(S[5,5]C[5,5,6]OO)(C[5,6]C[5,6]C)(H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]S[5,5]H)(C[5,6]C[5,5,6]C)(H){1|C<4>,1|S<4>,2|H<1>,2|O<1>}	110.3590	0.000	1	110.3590	0.000	1	110.3590	0.000	1	107.2145	8.760	4	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:P-4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(PC[6a]2C)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]P)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]P)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(PC[6a]2C){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]P)(H){4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]P)(H){1|C<4>,5|H<1>}	104.9270	0.000	1	104.9270	0.000	1	104.9270	0.000	1	107.2145	8.760	4	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:S-4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(SCOO)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]S)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]S)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(SCOO){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]S)(H){4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]S)(H){1|C<4>,5|H<1>}	109.1090	0.000	1	109.1090	0.000	1	109.1090	0.000	1	107.2145	8.760	4	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:Si-4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(SiC3)	C[5,5,6](C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]Si)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]Si)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(SiC3){1|Si<4>,1|C<3>,1|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]Si)(H){1|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]Si)(H){1|Si<4>,1|C<3>,1|C<4>,3|H<1>}	104.4630	0.000	1	104.4630	0.000	1	104.4630	0.000	1	107.2145	8.760	4	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:4:3:1:	4:3:2:	C[5,5,6]-4:C[5,6]-3:P-4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:O-2:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(PC[6a]2Pd)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]P)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]P)(OPd)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(PC[6a]2Pd){2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]P)(H){1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]P)(OPd){3|C<4>,3|H<1>}	106.4175	0.029	2	106.4175	0.001	2	106.4175	0.001	2	106.4175	0.001	2	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:4:3:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CCCH)	C[5,5,6](C[5,5,6]C[5,6]2C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CC[5]HH)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CCCH){1|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,6]2C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CC[5]HH){1|C<4>,5|H<1>}	106.3780	0.000	1	106.3780	0.000	1	107.5672	0.531	6	109.9854	2.470	57	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:4:3:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CCHH)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CCHH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	107.7030	0.000	1	107.7030	0.000	1	107.5672	0.531	6	109.9854	2.470	57	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:4:3:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[5,5,6]C[5,6]2C[5])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CC[5]HH)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,6]2C[5])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CC[5]HH){1|C<4>,1|O<2>,4|H<1>}	108.0350	0.000	1	108.0350	0.000	1	107.5672	0.531	6	109.9854	2.470	57	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:4:3:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CC[5]HH)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CC[5]HH){1|C<4>,1|O<2>,4|H<1>}	108.1310	0.267	2	108.1310	0.071	2	107.5672	0.531	6	109.9854	2.470	57	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:4:3:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CC[5]HO)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CC[5]HO){1|C<4>,1|O<2>,4|H<1>}	107.0250	0.000	1	107.0250	0.000	1	107.5672	0.531	6	109.9854	2.470	57	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:4:3:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:P[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]Br)(P[5,5]C[5,5,6]CS)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Br<1>,1|C<3>,1|H<1>,1|S<1>,2|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]Br)(P[5,5]C[5,5,6]CS)(C[5,6]C[5,6]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|C<3>,1|S<1>,2|C<4>,2|H<1>}	110.2800	0.000	1	110.2800	0.000	1	110.9053	0.285	18	109.9854	2.470	57	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:4:3:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:P[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(P[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pt<4>,1|H<1>,2|C<3>,2|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(P[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]C)(H){1|P<4>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pt<4>,1|C<3>,1|C<4>,1|P<4>,2|H<1>}	109.8870	0.000	1	109.8870	0.000	1	110.9053	0.285	18	109.9854	2.470	57	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:4:3:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:P[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5]C[5,5,6]CS)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|C<3>,1|S<1>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5]C[5,5,6]CS)(C[5,6]C[5,6]C)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Br<1>,1|C<3>,1|H<1>,1|S<1>,2|C<4>}	111.3610	0.000	1	111.0332	0.071	5	110.9053	0.285	18	109.9854	2.470	57	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:4:3:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:P[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5]C[5,5,6]CS)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|C<3>,1|S<1>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5]C[5,5,6]CS)(C[5,6]C[5,6]C)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|S<1>,2|H<1>,3|C<4>}	111.1195	0.033	2	111.0332	0.071	5	110.9053	0.285	18	109.9854	2.470	57	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:4:3:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:P[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5]C[5,5,6]CS)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|S<1>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5]C[5,5,6]CS)(C[5,6]C[5,6]C)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|C<3>,1|S<1>,2|C<4>,2|H<1>}	110.7830	0.191	2	111.0332	0.071	5	110.9053	0.285	18	109.9854	2.470	57	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:4:3:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:P[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5]C[5,5,6]C[6a]C)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){2|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5]C[5,5,6]C[6a]C)(C[5,6]C[5,6]C)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){2|C<3>,2|C<4>,2|H<1>}	111.3170	0.182	2	111.3170	0.033	2	110.9053	0.285	18	109.9854	2.470	57	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:4:3:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:P[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5]C[5,5,6]C[6a]S)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|C<3>,1|S<1>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5]C[5,5,6]C[6a]S)(C[5,6]C[5,6]C)(H){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|C<4>,1|S<1>,2|C<3>,2|H<1>}	111.2900	0.000	1	111.0920	0.078	2	110.9053	0.285	18	109.9854	2.470	57	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:4:3:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:P[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5]C[5,5,6]C[6a]S)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|C<4>,1|S<1>,2|C<3>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5]C[5,5,6]C[6a]S)(C[5,6]C[5,6]C)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|C<3>,1|S<1>,2|C<4>,2|H<1>}	110.8940	0.000	1	111.0920	0.078	2	110.9053	0.285	18	109.9854	2.470	57	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:4:3:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:P[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]P)(P[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pt<4>,1|C<3>,1|H<1>,1|P<4>,2|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]P)(P[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]C)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pt<4>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	110.7590	0.397	2	110.8233	0.091	3	110.9053	0.285	18	109.9854	2.470	57	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:4:3:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:P[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]P)(P[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pt<4>,1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]P)(P[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pt<4>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	110.9520	0.000	1	110.8233	0.091	3	110.9053	0.285	18	109.9854	2.470	57	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:4:3:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:P[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(P[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pt<4>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(P[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]C)(H){1|C<4>,1|H<1>,1|P<4>,4|C<3>}	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pt<4>,1|C<4>,1|H<1>,1|P<4>,2|C<3>}	111.1090	0.000	1	110.9353	1.158	3	110.9053	0.285	18	109.9854	2.470	57	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:4:3:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:P[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(P[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pt<4>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(P[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]C)(H){1|H<1>,1|P<4>,2|C<3>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pt<4>,1|C<3>,1|H<1>,1|P<4>,2|C<4>}	110.8485	1.507	2	110.9353	1.158	3	110.9053	0.285	18	109.9854	2.470	57	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:4:3:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:P[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[5,5,6]C[5,5,6]P[5]H)(P[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pt<4>,1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]P[5]H)(P[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]C)(H){1|H<1>,2|C<4>,5|C<3>}	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pt<4>,1|H<1>,2|C<3>,2|C<4>}	110.8690	0.000	1	110.8690	0.000	1	110.9053	0.285	18	109.9854	2.470	57	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:4:3:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CCCH)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]HH)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CCCH){2|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(H){1|C<3>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]HH){1|C<3>,2|C<4>,3|H<1>}	106.7592	0.289	5	106.7592	0.083	5	107.0389	0.365	7	109.9854	2.470	57	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:4:3:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]HH)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3){2|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(H){1|C<3>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]HH){1|C<3>,2|C<4>,3|H<1>}	107.2430	0.000	1	107.2430	0.000	1	107.0389	0.365	7	109.9854	2.470	57	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:4:3:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]HH)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3){1|O<2>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(H){1|C<3>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	108.2330	0.000	1	108.2330	0.000	1	107.0389	0.365	7	109.9854	2.470	57	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:4:3:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	P[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pd<4>,1|C<3>,2|C<4>,2|H<1>}	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]C)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pd<4>,1|C<3>,1|C<4>,1|P<4>,2|H<1>}	110.4400	0.000	1	110.6475	0.162	6	110.7000	0.171	26	109.9854	2.470	57	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:4:3:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	P[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]C)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pd<4>,1|C<3>,1|C<4>,3|H<1>}	110.6890	0.435	5	110.6475	0.162	6	110.7000	0.171	26	109.9854	2.470	57	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:4:3:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	P[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pd<4>,1|C<3>,1|C<4>,3|H<1>}	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pd<4>,1|C<3>,1|C<4>,1|P<4>,2|H<1>}	111.5590	0.000	1	110.7652	0.304	6	110.7000	0.171	26	109.9854	2.470	57	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:4:3:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	P[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pd<4>,1|C<3>,1|C<4>,3|H<1>}	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	110.6064	0.437	5	110.7652	0.304	6	110.7000	0.171	26	109.9854	2.470	57	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:4:3:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	P[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]HP)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pd<4>,1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]HP)(C[5,6]C[5,6]C)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pd<4>,1|C<3>,1|C<4>,3|H<1>}	110.8470	0.000	1	110.8215	0.001	2	110.7000	0.171	26	109.9854	2.470	57	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:4:3:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	P[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]HP)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pd<4>,1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]HP)(C[5,6]C[5,6]C)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pd<4>,1|C<3>,2|C<4>,2|H<1>}	110.7960	0.000	1	110.8215	0.001	2	110.7000	0.171	26	109.9854	2.470	57	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:4:3:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	P[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pt<4>,1|C<3>,1|C<4>,3|H<1>}	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pt<4>,1|C<3>,1|C<4>,1|S<4>,2|H<1>}	110.6264	0.144	5	110.6264	0.021	5	110.7000	0.171	26	109.9854	2.470	57	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:4:3:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	P[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]HS)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pt<4>,1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]HS)(C[5,6]C[5,6]C)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pt<4>,1|C<3>,1|C<4>,3|H<1>}	110.8644	0.270	5	110.8644	0.073	5	110.7000	0.171	26	109.9854	2.470	57	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:4:3:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	P[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](P[5,5]C[5,5,6]C[6a]Ru)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Ru<8>,1|C<3>,1|C<4>,3|H<1>}	C[5,5,6](P[5,5]C[5,5,6]C[6a]Ru)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Ru<8>,1|C<3>,1|C<4>,1|P<4>,2|H<1>}	109.5940	0.000	1	109.5940	0.000	1	110.7000	0.171	26	109.9854	2.470	57	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:4:3:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	P[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](P[5,5]C[5,5,6]C[6a]Ru)(C[5,6]C[5,6]HP)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Ru<8>,1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[5,5,6](P[5,5]C[5,5,6]C[6a]Ru)(C[5,6]C[5,6]HP)(C[5,6]C[5,6]C)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Ru<8>,1|C<3>,1|C<4>,3|H<1>}	111.0320	0.000	1	111.0320	0.000	1	110.7000	0.171	26	109.9854	2.470	57	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:4:3:4:	4:3:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]H)(CH3)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]C)(CCHH)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]H)(CH3){1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]C)(CCHH){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(H){2|H<1>,4|C<4>}	107.2715	0.409	2	107.2715	0.168	2	107.2715	0.168	2	108.7085	8.341	4	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:4:3:4:	4:3:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	P[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]H)(CH3)	C[5,5,6](C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]C)(CH3)	C[5,6](P[5,5,6]C[5,5]C[5,6]S)(C[5,6]C[5,5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]H)(CH3){1|S<1>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]C)(CH3){1|C<4>,1|S<1>,2|H<1>}	C[5,6](P[5,5,6]C[5,5]C[5,6]S)(C[5,6]C[5,5,6]C)(H){3|C<4>,3|H<1>}	113.0260	0.000	1	113.0260	0.000	1	113.0260	0.000	1	108.7085	8.341	4	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:4:3:4:	4:3:1:	C[5,5,6]-4:C[5,6]-3:P-4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]H)(PC[6a]2B)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]P)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]P)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]H)(PC[6a]2B){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]P)(CH3){4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]P)(H){2|H<1>,4|C<4>}	107.2650	0.000	1	107.2650	0.000	1	107.2650	0.000	1	108.7085	8.341	4	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:4:3:4:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C-4:	P[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]P[5,5,6]C[6a])(CH3)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3)	C[5,6](P[5,5,6]C[5,5,6]C[5,5]S)(C[5,6]C[5,5,6]C)(C[6a]C[6a]N[6a])	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]P[5,5,6]C[6a])(CH3){1|C<4>,1|N<2>,1|S<1>,2|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|S<1>}	C[5,6](P[5,5,6]C[5,5,6]C[5,5]S)(C[5,6]C[5,5,6]C)(C[6a]C[6a]N[6a]){2|C<3>,3|C<4>,4|H<1>}	113.0350	0.000	1	113.0350	0.000	1	113.0350	0.000	1	112.9060	0.033	2	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:4:3:4:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	P[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C[6a])(CH3)	C[5,5,6](C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]C)(CH3)	C[5,6](P[5,5,6]C[5,5]C[5,6]S)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C[6a])(CH3){1|S<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]C)(CH3){1|C<3>,1|C<4>,1|H<1>,1|S<1>}	C[5,6](P[5,5,6]C[5,5]C[5,6]S)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2){2|C<3>,3|C<4>,5|H<1>}	112.7770	0.000	1	112.7770	0.000	1	112.7770	0.000	1	112.9060	0.033	2	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:4:3:4:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CCHH)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(CCCH)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CCHH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(CCCH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	107.8510	0.000	1	107.8510	0.000	1	107.6312	0.152	8	107.7336	0.293	18	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:4:3:4:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]HH)	C[5,5,6](C[5,5,6]C[5,6]2C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(CCCH)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]HH){1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6]2C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(CCCH){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3){2|C<4>,4|H<1>}	107.6570	0.000	1	107.6570	0.000	1	107.6312	0.152	8	107.7336	0.293	18	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:4:3:4:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]HH)	C[5,5,6](C[5,5,6]C[5,6]2C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CCCH)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]HH){1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6]2C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(CH3){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CCCH){2|C<4>,4|H<1>}	107.6793	0.404	3	107.6793	0.163	3	107.6312	0.152	8	107.7336	0.293	18	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:4:3:4:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]HH)	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CCCH)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]HH){1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(CH3){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CCCH){2|C<4>,4|H<1>}	107.3690	0.724	2	107.3690	0.524	2	107.6312	0.152	8	107.7336	0.293	18	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:4:3:4:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]HH)	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(CCCH)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(CCCH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3){1|O<2>,2|C<4>,3|H<1>}	107.7660	0.000	1	107.7660	0.000	1	107.6312	0.152	8	107.7336	0.293	18	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:4:3:4:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CC[5]HH)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CCCH)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CC[5]HH){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(CH3){1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CCCH){1|C<3>,2|H<1>,3|C<4>}	107.5600	0.000	1	107.5600	0.000	1	107.6742	0.246	9	107.7336	0.293	18	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:4:3:4:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CC[5]HH)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(CCCH)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CC[5]HH){1|C<4>,1|O<2>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(CCCH){1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	107.2097	0.195	3	107.2097	0.038	3	107.6742	0.246	9	107.7336	0.293	18	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:4:3:4:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CC[5]HO)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(CCCH)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CC[5]HO){1|C<4>,1|O<2>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(CCCH){1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	108.5590	0.000	1	108.5590	0.000	1	107.6742	0.246	9	107.7336	0.293	18	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:4:3:4:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CH3){2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(CH3){1|H<1>,1|N<3>,2|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CH3){1|H<1>,1|N<3>,4|C<4>}	107.5890	0.238	2	107.5890	0.056	2	107.6742	0.246	9	107.7336	0.293	18	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:4:3:4:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HN)(C[5,6]C[5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CH3){1|H<1>,1|N<3>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HN)(C[5,6]C[5,6]C)(CH3){2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CH3){2|H<1>,4|C<4>}	108.0710	0.259	2	108.0710	0.067	2	107.6742	0.246	9	107.7336	0.293	18	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:4:3:4:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5]-4:P[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5]P[5,6]C)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[5,5]C[5,5,6]CH)(P[5,6]As[5,6]HW)(C[5,6]C[5,6]C)(CH3)	C[5,6](C[5,5,6]As[5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5]P[5,6]C)(C[5,6]C[5,5,6]C)(CH3){1|As<3>,1|W<6>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CH)(P[5,6]As[5,6]HW)(C[5,6]C[5,6]C)(CH3){1|P<4>,2|C<4>}	C[5,6](C[5,5,6]As[5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CH3){1|H<1>,2|C<4>,2|P<4>}	109.0860	0.000	1	109.0860	0.000	1	109.0860	0.000	1	107.7336	0.293	18	107.1926	5.216	939	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,6,6]	C[5,6]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6,6]-4:C[5,6]-3:C[5]-3:	C[5,6a]-3:C[5,6]-3:C[5,6,6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:C[5,6]-3:	C[5,6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5,6,6]C[5,6]2)(C[6]C[5,6]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5])	C[5,6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O){9|C<3>}	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5,6,6]C[5,6]2)(C[6]C[5,6]C[6a]){10|C<3>,1|H<1>,1|O<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5]){1|H<1>,2|O<1>,7|C<3>}	120.8350	0.000	1	120.8350	0.000	1	120.8350	0.000	1	120.8350	0.000	1	121.4910	0.770	3	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,6,6]	C[5,6]	4:3:3:	4:3:3:4:	3:3:2:	C[5,6,6]-4:C[5,6]-3:C[5]-3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5,6]-4:	C[5,6a]-3:C[5,6]-3:O[6]-2:	C[5,6](C[5,6,6]C[5,6,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]O[6])(C[5]C[5,6a]O)	C[5,6,6](C[5,6,6]C[5,6,6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]C[5])(O[6]C[5,6,6])	C[5,6](C[5,6,6]C[5,6,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]O[6])(C[5]C[5,6a]O){1|H<1>,2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H){1|C<4>,1|O<2>,2|H<1>,4|O<1>,8|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]C[5])(O[6]C[5,6,6]){1|H<1>,1|O<1>,3|C<4>,4|C<3>}	121.8190	0.946	2	121.8190	0.895	2	121.8190	0.895	2	121.8190	0.895	2	121.4910	0.770	3	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6,6]	3:4:4:	3:4:4:1:	3:4:4:	C[5,6,6]-3:C[5,6]-4:C[5]-4:	C[5,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-3:C[5,6]-4:C[6,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5,6]C[5,6]C[5]H)(C[5]S[5]HH)	C[5,6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H)	C[5,6,6](C[5,6]C[5,6]C[5])(C[5,6]C[6]S[5]H)(C[6,6]C[6]2H)	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5,6]C[5,6]C[5]H)(C[5]S[5]HH){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H){1|C<3>,1|O<1>,1|S<2>,2|C<4>,3|H<1>}	C[5,6,6](C[5,6]C[5,6]C[5])(C[5,6]C[6]S[5]H)(C[6,6]C[6]2H){1|C<3>,3|C<4>,8|H<1>}	122.5590	0.000	1	122.5590	0.000	1	122.5590	0.000	1	122.5590	0.000	1	122.7045	0.042	2	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6,6]	4:3:3:	3:3:3:2:	3:4:3:	C[5,6]-4:C[5,6,6]-3:C[5]-3:	C[5,6,6a]-3:C[5,6a]-3:C[5,6]-3:O-2:	C[5,6,6]-3:C[5,6,6]-4:C[5,6]-3:	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6,6]C[5,6,6]2)(C[5]C[5,6]O)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6,6]C[5])(OO)	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6,6]C[5,6,6a]2O)(C[5,6]C[5,6]C[5])	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6,6]C[5,6,6]2)(C[5]C[5,6]O){2|C<4>,2|O<2>,5|C<3>}	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6,6]C[5])(OO){1|O<2>,3|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6,6]C[5,6,6a]2O)(C[5,6]C[5,6]C[5]){1|C<4>,4|O<2>,6|C<3>}	122.8500	0.000	1	122.8500	0.000	1	122.8500	0.000	1	122.8500	0.000	1	122.7045	0.042	2	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	3:3:4:	3:3:4:4:	3:3:4:	C[5,6]-3:C[5,6a]-3:C[5,6]-4:	C[5,6]-3:C[5]-3:C[6]-4:C-4:	C[5,6a]-3:C[5,6]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)(C[6]C[6]CH)(CH3)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[6]C)	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C){1|O<1>,2|H<1>,3|C<4>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)(C[6]C[6]CH)(CH3){1|H<1>,2|C<4>,3|C<3>}	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[6]C){2|H<1>,3|C<4>,6|C<3>}	123.5430	0.000	1	123.5430	0.000	1	123.5430	0.000	1	120.2287	3.097	6	121.2157	18.025	86	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	3:3:4:	3:3:4:4:	3:3:4:	C[5,6a]-3:C[5,6]-3:C[5,6]-4:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C[5,6]-3:C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[6]C)	C[5,6](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(CH3)	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[4,5]C[6]C)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[6]C){2|H<1>,4|C<4>,5|C<3>}	C[5,6](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(CH3){1|H<1>,2|C<4>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[4,5]C[6]C){2|H<1>,3|C<4>,7|C<3>}	119.9710	1.007	2	119.9710	1.014	2	119.5530	1.031	3	120.2287	3.097	6	121.2157	18.025	86	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	3:3:4:	3:3:4:4:	3:3:4:	C[5,6a]-3:C[5,6]-3:C[5,6]-4:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C[5,6]-3:C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[6]C)	C[5,6](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(CH3)	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[6]C){2|H<1>,3|C<4>,6|C<3>}	C[5,6](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(CH3){1|H<1>,2|C<4>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C){1|O<1>,2|H<1>,3|C<4>,5|C<3>}	118.7170	0.000	1	118.7170	0.000	1	119.5530	1.031	3	120.2287	3.097	6	121.2157	18.025	86	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	3:3:4:	3:3:4:4:	3:3:4:	C[5,6a]-3:C[5,6]-3:C[5,6]-4:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C[5,6a]-3:C[5,6]-3:C[5,6]-4:	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[6]C)	C[5,6](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(CH3)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[6]C)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[6]C){2|H<1>,3|C<4>,6|C<3>}	C[5,6](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(CH3){1|H<1>,2|C<4>,5|C<3>}	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[6]C){2|H<1>,3|C<4>,6|C<3>}	119.5850	0.491	2	119.5850	0.241	2	119.5850	0.241	2	120.2287	3.097	6	121.2157	18.025	86	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	3:3:4:	3:4:3:4:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[5,6]-4:	C[5,6]-3:C[5,6]-4:C[5]-3:C-4:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]C)	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5]H)(C[5]C[5,6a]O)(CH3)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[5,6])	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]C){1|O<1>,2|H<1>,3|C<4>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5]H)(C[5]C[5,6a]O)(CH3){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[5,6]){2|H<1>,3|C<4>,6|C<3>}	119.6300	0.000	1	119.6300	0.000	1	119.6300	0.000	1	119.6300	0.000	1	121.2157	18.025	86	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	3:3:4:	4:3:4:4:	3:3:4:	C[5,6]-3:C[5,6a]-3:C[5,6]-4:	C[4,5]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6a]-3:C[5,6]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[4,5]C[6]C)	C[5,6](C[4,5]C[5,6a]C[4,5]C[4])(C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(CH3)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[6]C)	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[4,5]C[6]C){2|H<1>,3|C<4>,7|C<3>}	C[5,6](C[4,5]C[5,6a]C[4,5]C[4])(C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(CH3){1|H<1>,2|C<4>,6|C<3>}	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[6]C){2|H<1>,4|C<4>,5|C<3>}	123.5785	0.441	2	123.5785	0.194	2	123.5785	0.194	2	123.5785	0.194	2	121.2157	18.025	86	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	3:4:2:	3:4:2:2:	3:3:3:	C[5,6]-3:C[5,6]-4:N[5]-2:	C[5,6]-3:C[6]-4:S[5]-2:S[5]-2:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5,6a]C[6])(C[5,6]C[6]S[5]2)(N[5]C[5,6a])	C[5,6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(S[5]C[5])2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5])(C[6]C[6]O)	C[5,6](C[5,6]C[5,6a]C[6])(C[5,6]C[6]S[5]2)(N[5]C[5,6a]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(S[5]C[5])2{3|C<3>,6|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5])(C[6]C[6]O){1|C<4>,2|C<3>,2|S<2>,3|H<1>}	124.2890	0.000	1	124.2890	0.000	1	124.2890	0.000	1	124.2890	0.000	1	121.2157	18.025	86	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	3:4:3:	3:3:4:4:	3:3:4:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:	C[5,6a]-3:C[5,6]-3:C[5,6]-4:C-4:	C[5,6]-3:C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[5,6])	C[5,6](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5]H)(CH3)	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]C)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[5,6]){2|H<1>,3|C<4>,6|C<3>}	C[5,6](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5]H)(CH3){1|O<2>,2|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]C){1|O<1>,2|H<1>,3|C<4>,5|C<3>}	121.0270	0.000	1	121.0270	0.000	1	121.0270	0.000	1	121.0270	0.000	1	121.2157	18.025	86	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	3:4:3:	3:4:2:4:	3:3:4:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:	C[5,6]-3:C[5,6]-4:S[5]-2:C-4:	C[5,6]-3:C[5,6]-3:C[5]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]S[5]C)(S[5]C[5,6a])(CCCH)	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5])(C[5]C[5]FF)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5]){1|H<1>,1|S<2>,2|F<1>,3|C<3>,3|C<4>}	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]S[5]C)(S[5]C[5,6a])(CCCH){1|C<4>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5])(C[5]C[5]FF){1|S<2>,2|C<4>,3|C<3>,4|F<1>}	115.2550	0.184	2	115.2550	0.034	2	115.5357	0.123	6	115.5357	0.123	6	121.2157	18.025	86	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	3:4:3:	3:4:2:4:	3:3:4:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:	C[5,6]-3:C[5,6]-4:S[5]-2:C-4:	C[5,6]-3:C[5,6]-3:C[5]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]S[5]C)(S[5]C[5,6a])(CH3)	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5])(C[5]C[5]FF)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5]){1|H<1>,1|S<2>,2|F<1>,3|C<3>,3|C<4>}	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]S[5]C)(S[5]C[5,6a])(CH3){1|C<4>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5])(C[5]C[5]FF){1|S<2>,2|C<4>,3|C<3>,4|F<1>}	115.6760	0.339	4	115.6760	0.115	4	115.5357	0.123	6	115.5357	0.123	6	121.2157	18.025	86	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	3:4:3:	3:4:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:	C[5,6]-3:C[5,6]-4:C[5]-3:C[5]-3:	C[5,6]-3:C[5,6]-3:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[5])	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5]2)(C[5]C[5,6a]O)2	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5])(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[5]){1|H<1>,3|O<1>,8|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5]2)(C[5]C[5,6a]O)2{2|O<1>,9|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5])(C[5]C[5,6a]O){1|C<4>,1|O<1>,6|C<3>}	122.0335	0.118	2	122.0335	0.014	2	122.0335	0.014	2	121.7566	0.162	5	121.2157	18.025	86	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	3:4:3:	3:4:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:	C[5,6]-3:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[5,6])(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)(C[6]C[6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]2C[6])(C[5,6]C[5]C[6]){3|H<1>,3|O<1>,6|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6])(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2{1|H<1>,8|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	121.5720	0.435	3	121.5720	0.189	3	121.5720	0.189	3	121.7566	0.162	5	121.2157	18.025	86	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	3:4:3:	3:4:4:3:	3:3:4:	C[5,6]-3:C[5,6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:C-3:	C[5,6]-3:C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(COO)	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6])(C[5]O[5]HH)	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6])(C[5]O[5]HH){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	115.8570	0.000	1	115.8570	0.000	1	115.8570	0.000	1	115.8570	0.000	1	121.2157	18.025	86	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	3:4:4:	3:4:3:2:	3:4:4:	C[5,6]-3:C[5,6]-4:C[5]-4:	C[5,6]-3:C[6]-4:C[5]-3:O-2:	C[5,6]-3:C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]O)(C[5]O[5]HH)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(C[5]O[5]O)(OH)	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]O[5]HH)	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]O)(C[5]O[5]HH){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(C[5]O[5]O)(OH){2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]O[5]HH){1|C<3>,1|C<4>,2|O<2>,6|H<1>}	121.6680	0.341	2	121.6680	0.116	2	121.6680	0.116	2	121.6680	0.116	2	121.2157	18.025	86	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	3:4:4:	3:4:4:1:	3:4:4:	C[5,6]-3:C[5,6]-4:C[5]-4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)	C[5,6](C[5,6]C[5,6]C[5])(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[5]N[5]HH){1|N<3>,1|S<4>,2|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|S<4>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[5]N[5]HH){1|N<3>,1|S<4>,2|C<4>,7|H<1>}	121.8405	0.859	4	121.8405	0.738	4	121.8405	0.738	4	121.8405	0.738	4	121.2157	18.025	86	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	3:4:4:	3:4:4:4:	3:4:4:	C[5,6]-3:C[5,6]-4:C[5]-4:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-3:C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]O[5]HH)	C[5,6](C[5,6]C[5,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]O)(C[5]O[5]HH)	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]O[5]HH){1|C<3>,1|C<4>,2|O<2>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]O)(C[5]O[5]HH){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	123.1245	0.641	2	123.1245	0.411	2	123.1245	0.411	2	123.1245	0.411	2	121.2157	18.025	86	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	3:4:4:	3:4:4:4:	4:3:4:	C[5,6]-3:C[5,6]-4:C[5]-4:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HO)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HO)(CH3)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[5])(C[5]C[5,6]HH)	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HO){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HO)(CH3){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[5])(C[5]C[5,6]HH){2|C<3>,2|O<2>,4|C<4>,4|H<1>}	121.6850	0.000	1	121.6850	0.000	1	121.6850	0.000	1	121.6850	0.000	1	121.2157	18.025	86	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	4:3:2:	3:2:2:1:	3:3:4:	C[5,6]-4:C[5,6]-3:N[5]-2:	C[5,6]-3:O[5,6]-2:O[5]-2:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[5,6a]C[6])(N[5]C[5,6a])	C[5,6](C[5,6]C[5,6]N[5])(O[5,6]C[5,6])(O[5]C[5])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5])(C[6]C[5,6]HH)	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[5,6a]C[6])(N[5]C[5,6a]){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]N[5])(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5])(C[6]C[5,6]HH){1|C<3>,1|C<4>,1|N<2>,2|O<2>,3|H<1>}	121.6530	0.000	1	121.6530	0.000	1	121.6530	0.000	1	121.6530	0.000	1	121.2157	18.025	86	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	4:3:3:	3:3:3:1:	4:3:3:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[5,6]-3:C[5]-3:H-1:	C[6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])(C[5]C[6a]C[5])	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5,6]C)(C[5]C[6a]C[5])(H)	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5,6]C[5])(C[5]C[6a]C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])(C[5]C[6a]C[5]){1|C<4>,3|H<1>,7|C<3>}	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5,6]C)(C[5]C[6a]C[5])(H){1|H<1>,2|C<4>,5|C<3>}	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5,6]C[5])(C[5]C[6a]C[5]){3|H<1>,9|C<3>}	118.0350	0.000	1	118.0350	0.000	1	118.0350	0.000	1	118.0350	0.000	1	121.2157	18.025	86	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	4:3:3:	3:3:3:2:	4:3:3:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6,6a]-3:C[5,6a]-3:C[5,6]-3:O-2:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]C[5]O)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6]C[5])(OO)	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]C[5]O)	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]C[5]O){1|O<1>,2|O<2>,5|C<3>}	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6]C[5])(OO){1|O<2>,2|C<4>,6|C<3>}	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]C[5]O){1|O<1>,2|O<2>,5|C<3>}	122.3545	0.433	2	122.3545	0.188	2	124.9798	5.611	6	124.9798	5.611	6	121.2157	18.025	86	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	4:3:3:	3:3:3:2:	4:3:3:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6,6a]-3:C[5,6a]-3:C[5,6]-3:O-2:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]O[5]N)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6]C[5])(OH)	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]O[5]O)	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]O[5]N){1|O<1>,1|O<2>,5|C<3>}	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6]C[5])(OH){1|C<4>,1|N<2>,1|O<2>,6|C<3>}	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]O[5]O){1|N<2>,1|O<2>,5|C<3>}	127.9340	0.000	1	127.9340	0.000	1	124.9798	5.611	6	124.9798	5.611	6	121.2157	18.025	86	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	4:3:3:	3:3:3:2:	4:3:3:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6,6a]-3:C[5,6a]-3:C[5,6]-3:O-2:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]O[5]N)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6]C[5,6]C[5])(OO)	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]O[5]O)	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]O[5]N){1|O<1>,1|O<2>,5|C<3>}	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6]C[5,6]C[5])(OO){1|C<4>,1|N<2>,1|O<2>,6|C<3>}	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]O[5]O){1|N<2>,1|O<2>,5|C<3>}	125.2570	0.000	1	125.2570	0.000	1	124.9798	5.611	6	124.9798	5.611	6	121.2157	18.025	86	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	4:3:3:	3:3:3:2:	4:3:3:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6,6a]-3:C[5,6a]-3:C[5,6]-3:O-2:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]O[5]O)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6]C[5])(OO)	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]O[5]N)	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]O[5]O){1|N<2>,1|O<2>,5|C<3>}	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6]C[5])(OO){1|C<4>,1|O<1>,1|O<2>,6|C<3>}	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]O[5]N){1|O<1>,1|O<2>,5|C<3>}	124.7170	0.000	1	124.7170	0.000	1	124.9798	5.611	6	124.9798	5.611	6	121.2157	18.025	86	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	4:3:3:	3:3:3:2:	4:3:3:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6,6a]-3:C[5,6a]-3:C[5,6]-3:O-2:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]O[5]O)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6]C[5,6]C[5])(OO)	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]O[5]N)	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]O[5]O){1|N<2>,1|O<2>,5|C<3>}	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6]C[5,6]C[5])(OO){1|C<4>,1|O<1>,1|O<2>,6|C<3>}	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]O[5]N){1|O<1>,1|O<2>,5|C<3>}	127.2620	0.000	1	127.2620	0.000	1	124.9798	5.611	6	124.9798	5.611	6	121.2157	18.025	86	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	4:3:3:	3:3:3:2:	4:3:4:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6,6a]-3:C[5,6a]-3:C[5,6]-3:O-2:	C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]C[5]N)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6]C[5])(OO)	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]C[5]IO)	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]C[5]N){1|I<1>,1|O<1>,2|O<2>,5|C<3>}	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6]C[5])(OO){1|N<2>,2|C<4>,6|C<3>}	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]C[5]IO){1|N<2>,1|O<1>,1|O<2>,5|C<3>}	123.7910	0.000	1	123.7910	0.000	1	123.7910	0.000	1	123.7910	0.000	1	121.2157	18.025	86	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	4:3:3:	3:3:3:3:	3:2:4:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5a,6]-3:C[5,6]-3:C[5]-3:C[5]-3:	C[5,6]-3:O[6]-2:C[5]-4:	C[5,6](C[5,6]C[5a,6]C[5]2)(C[5,6]C[5]O[6])(C[5]C[5]O)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5])(C[5]C[5,6a]O)2	C[5,6](C[5,6]C[5,6]C[5])(O[6]C[5a,6])(C[5]C[5]HH)	C[5,6](C[5,6]C[5a,6]C[5]2)(C[5,6]C[5]O[6])(C[5]C[5]O){2|O<1>,4|C<3>,4|H<1>}	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5])(C[5]C[5,6a]O)2{1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5])(O[6]C[5a,6])(C[5]C[5]HH){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	125.7910	0.000	1	125.7910	0.000	1	125.7910	0.000	1	125.7910	0.000	1	121.2157	18.025	86	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	4:3:3:	3:3:3:3:	3:3:2:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6a]-3:C[5,6]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:O[6]-2:	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6a]O[6])(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]N[5]O)(C[6]C[6]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(O[6]C[6])	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6a]O[6])(C[5]C[5,6a]O){1|C<2>,1|N<3>,1|O<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(O[6]C[6]){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	123.8140	0.000	1	123.8140	0.000	1	123.8140	0.000	1	122.8775	1.754	2	121.2157	18.025	86	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	4:3:3:	3:3:3:3:	3:3:2:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6a]-3:C[5,6]-3:C[6]-3:C[5]-3:	C[6,6a]-3:C[5,6]-3:O[5]-2:	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[6,6a]O[5])(C[5]C[5]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6]C[6,6a]O)(C[5]N[5]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O[5]C[5])	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[6,6a]O[5])(C[5]C[5]C){1|N<3>,1|O<2>,2|O<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6]C[6,6a]O)(C[5]N[5]O){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O[5]C[5]){1|H<1>,1|O<2>,7|C<3>}	121.9410	0.000	1	121.9410	0.000	1	121.9410	0.000	1	122.8775	1.754	2	121.2157	18.025	86	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6a]-3:C[5,6]-3:C[6,6]-3:C[5]-3:	C[5,6a]-3:C[5,6]-3:N[6]-3:	C[5,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[5]N[5]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(N[6]C[6,6]C)	C[5,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O){1|C<4>,1|N<3>,1|O<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[5]N[5]O){1|H<1>,1|N<3>,2|O<1>,3|C<4>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(N[6]C[6,6]C){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	124.6450	0.758	2	124.6450	0.575	2	124.6450	0.575	2	124.1383	1.057	3	121.2157	18.025	86	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[6,6a]-3:C[5,6]-3:C[5,6]-3:C[5]-3:	C[5,6a]-3:C[5,6]-3:N[6]-3:	C[5,6](C[5,6]C[6,6a]C[5,6]C[5])(C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5,6]C[5,6]C[6])(C[5]N[5]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(N[6]C[6,6a]H)	C[5,6](C[5,6]C[6,6a]C[5,6]C[5])(C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5,6]C[5,6]C[6])(C[5]N[5]O){1|H<1>,1|N<3>,2|C<4>,2|O<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(N[6]C[6,6a]H){1|H<1>,1|O<1>,6|C<3>}	123.1250	0.000	1	123.1250	0.000	1	123.1250	0.000	1	124.1383	1.057	3	121.2157	18.025	86	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	4:3:3:	3:4:2:1:	3:4:3:	C[5,6]-4:C[5,6]-3:C-3:	C[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[6]O[5]H)(C[5,6]C[5]C[6])(CHS)	C[5,6](C[5,6]C[5,6]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]C)(C[5]O[5]HH)(C[6]C[6]H)	C[5,6](C[5,6]C[6]O[5]H)(C[5,6]C[5]C[6])(CHS){1|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6]C)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]C)(C[5]O[5]HH)(C[6]C[6]H){1|C<4>,2|H<1>}	102.3110	0.000	1	102.3110	0.000	1	102.3110	0.000	1	102.3110	0.000	1	121.2157	18.025	86	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	4:3:3:	3:4:3:3:	3:3:4:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6a]-3:C[6,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5,6]C[5]C[6])(C[5]C[5]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]S[6]H)(C[5,6]C[5,6]C[5])(C[5]N[5]O)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6,6]C)(C[5]C[5]HH)	C[5,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5,6]C[5]C[6])(C[5]C[5]O){1|N<3>,1|O<1>,1|S<2>,4|C<3>,5|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]S[6]H)(C[5,6]C[5,6]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6,6]C)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	122.9580	0.530	2	122.9580	0.281	2	122.9580	0.281	2	122.9580	0.281	2	121.2157	18.025	86	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	4:3:3:	3:4:4:1:	3:3:2:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,6]-3:O[6]-2:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6a]O[6])(C[5]C[5,6a]O)	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(O[6]C[6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6a]O[6])(C[5]C[5,6a]O){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H){1|O<1>,1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(O[6]C[6]){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	123.2770	0.000	1	123.2770	0.000	1	123.2770	0.000	1	123.2770	0.000	1	121.2157	18.025	86	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	4:3:3:	3:4:4:3:	3:4:4:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])(C[5]C[5]O)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]CH)	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])(C[5]C[5]O){1|C<3>,1|O<1>,5|H<1>,6|C<4>}	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]CH){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	126.8300	0.000	1	126.8300	0.000	1	126.8480	0.131	3	126.8480	0.131	3	121.2157	18.025	86	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	4:3:3:	3:4:4:3:	3:4:4:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])(C[5]C[5]O)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]CO)	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])(C[5]C[5]O){1|C<3>,1|O<1>,1|O<2>,4|H<1>,6|C<4>}	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]CO){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	127.2190	0.000	1	126.8570	0.262	2	126.8480	0.131	3	126.8480	0.131	3	121.2157	18.025	86	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	4:3:3:	3:4:4:3:	3:4:4:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])(C[5]C[5]O)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]CO)	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])(C[5]C[5]O){1|O<1>,1|O<2>,5|H<1>,7|C<4>}	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]CO){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	126.4950	0.000	1	126.8570	0.262	2	126.8480	0.131	3	126.8480	0.131	3	121.2157	18.025	86	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	4:3:3:	4:3:2:4:	3:3:4:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-4:C[5,6]-3:S[5]-2:C-4:	C[5,6]-3:C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]C)	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CH3)	C[5,6](C[5,6]C[5,6]C[5])2(C[5]C[5]FF)	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]C){1|S<2>,2|C<3>,2|F<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CH3){2|C<4>,4|C<3>}	C[5,6](C[5,6]C[5,6]C[5])2(C[5]C[5]FF){1|S<2>,2|C<3>,3|C<4>,4|F<1>}	113.6905	0.100	2	113.6905	0.010	2	116.2239	1.260	14	116.2239	1.260	14	121.2157	18.025	86	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	4:3:3:	4:3:2:4:	3:3:4:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-4:C[5,6]-3:S[5]-2:C-4:	C[5,6]-3:C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H)	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CCHH)	C[5,6](C[5,6]C[5,6]C[5])2(C[5]C[5]FF)	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H){1|S<2>,2|C<3>,2|F<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CCHH){1|C<4>,1|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6]C[5])2(C[5]C[5]FF){1|H<1>,1|S<2>,2|C<3>,2|C<4>,4|F<1>}	116.5265	0.127	2	116.5265	0.016	2	116.2239	1.260	14	116.2239	1.260	14	121.2157	18.025	86	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	4:3:3:	4:3:2:4:	3:3:4:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-4:C[5,6]-3:S[5]-2:C-4:	C[5,6]-3:C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H)	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CH3)	C[5,6](C[5,6]C[5,6]C[5])2(C[5]C[5]FF)	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H){1|C<3>,1|S<2>,2|F<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CH3){1|H<1>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[5,6]C[5])2(C[5]C[5]FF){1|H<1>,1|S<2>,2|C<3>,2|C<4>,4|F<1>}	116.0990	0.201	2	116.6700	0.150	10	116.2239	1.260	14	116.2239	1.260	14	121.2157	18.025	86	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	4:3:3:	4:3:2:4:	3:3:4:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-4:C[5,6]-3:S[5]-2:C-4:	C[5,6]-3:C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H)	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CH3)	C[5,6](C[5,6]C[5,6]C[5])2(C[5]C[5]FF)	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H){1|Fe<8>,1|C<3>,1|S<2>,2|F<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CH3){1|Fe<8>,1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6]C[5])2(C[5]C[5]FF){1|H<1>,1|S<2>,2|C<3>,2|C<4>,4|F<1>}	116.5595	0.257	2	116.6700	0.150	10	116.2239	1.260	14	116.2239	1.260	14	121.2157	18.025	86	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	4:3:3:	4:3:2:4:	3:3:4:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-4:C[5,6]-3:S[5]-2:C-4:	C[5,6]-3:C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H)	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CH3)	C[5,6](C[5,6]C[5,6]C[5])2(C[5]C[5]FF)	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H){1|Ru<8>,1|C<3>,1|S<2>,2|F<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CH3){1|Ru<8>,1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6]C[5])2(C[5]C[5]FF){1|H<1>,1|S<2>,2|C<3>,2|C<4>,4|F<1>}	116.9315	0.087	2	116.6700	0.150	10	116.2239	1.260	14	116.2239	1.260	14	121.2157	18.025	86	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	4:3:3:	4:3:2:4:	3:3:4:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-4:C[5,6]-3:S[5]-2:C-4:	C[5,6]-3:C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H)	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CH3)	C[5,6](C[5,6]C[5,6]C[5])2(C[5]C[5]FF)	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H){1|S<2>,2|C<3>,2|F<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CH3){1|C<4>,1|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6]C[5])2(C[5]C[5]FF){1|H<1>,1|S<2>,2|C<3>,2|C<4>,4|F<1>}	116.8800	0.284	4	116.6700	0.150	10	116.2239	1.260	14	116.2239	1.260	14	121.2157	18.025	86	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	4:3:3:	4:3:3:3:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[5,6]-3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5,5,6]C[6a]C[5])(C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[6])	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]C[6a])	C[5,6](C[5,6]C[5,5,6]C[6a]C[5])(C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[6]){10|C<3>,1|H<1>,1|O<1>}	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]O){11|C<3>,2|H<1>}	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]C[6a]){1|C<4>,1|H<1>,8|C<3>}	124.3920	0.000	1	124.3920	0.000	1	124.3920	0.000	1	124.5863	0.152	3	121.2157	18.025	86	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	4:3:3:	4:3:3:3:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[5,6]-3:	C[5,6,6]-4:C[5,6]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5,6,6]C[6a]C[5])(C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6a])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6])(C[6]C[6,6]C[6a])	C[5,6](C[5,6]C[5,6,6]C[6a]C[5])(C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[6]){10|C<3>,1|H<1>,1|O<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6a])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]O){11|C<3>,2|H<1>}	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6])(C[6]C[6,6]C[6a]){1|C<4>,1|H<1>,8|C<3>}	124.6835	0.497	2	124.6835	0.247	2	124.6835	0.247	2	124.5863	0.152	3	121.2157	18.025	86	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	4:3:3:	4:3:4:1:	3:4:2:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-3:C[5]-4:O[6]-2:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]O[6])(C[5]C[5]O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(C[5]O[5]CH)(H)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]HH)(O[6]C[5,6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]O[6])(C[5]C[5]O){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(C[5]O[5]CH)(H){2|O<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]HH)(O[6]C[5,6]){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	124.3295	0.062	2	124.3295	0.004	2	124.3295	0.004	2	124.3295	0.004	2	121.2157	18.025	86	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	4:3:4:	3:3:3:2:	4:3:3:	C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6,6a]-3:C[5,6a]-3:C[5,6]-3:O-2:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]C[5]IO)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6]C[5])(OO)	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]C[5]N)	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]C[5]IO){1|N<2>,1|O<1>,1|O<2>,5|C<3>}	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6]C[5])(OO){1|I<1>,1|O<2>,2|C<4>,6|C<3>}	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]C[5]N){1|I<1>,1|O<1>,2|O<2>,5|C<3>}	125.3040	0.000	1	125.3040	0.000	1	125.3040	0.000	1	125.3040	0.000	1	121.2157	18.025	86	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	4:3:4:	3:3:3:3:	3:4:2:	C[5,6]-4:C[5,6]-3:S[5]-4:	C[5,6]-3:C[5]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-4:O[6]-2:	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]O[6])(S[5]C[5]OO)	C[5,6](C[5,6]C[5,6]S[5])(C[5]C[5,6a]O)2(C[6]C[6]C)	C[5,6](C[5,6]C[5,6]S[5])(C[5]C[5]HH)(O[6]C[6])	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]O[6])(S[5]C[5]OO){1|C<2>,2|O<1>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]S[5])(C[5]C[5,6a]O)2(C[6]C[6]C){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|O<1>}	C[5,6](C[5,6]C[5,6]S[5])(C[5]C[5]HH)(O[6]C[6]){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	124.4800	0.000	1	124.4800	0.000	1	124.4800	0.000	1	124.7190	0.114	2	121.2157	18.025	86	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	4:3:4:	3:3:3:3:	3:4:2:	C[5,6]-4:C[5,6]-3:S[5]-4:	C[5,6a]-3:C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-4:O[6]-2:	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]O[6])(S[5]C[5]OO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]S[5])(C[5]N[5]O)(C[6]C[6]C)	C[5,6](C[5,6]C[5,6]S[5])(C[5]C[5]HH)(O[6]C[6])	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]O[6])(S[5]C[5]OO){1|C<2>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]S[5])(C[5]N[5]O)(C[6]C[6]C){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[5,6](C[5,6]C[5,6]S[5])(C[5]C[5]HH)(O[6]C[6]){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	124.9580	0.000	1	124.9580	0.000	1	124.9580	0.000	1	124.7190	0.114	2	121.2157	18.025	86	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	4:3:4:	3:3:3:3:	3:4:3:	C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6a]-3:C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]C[6])(C[5]C[5]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]N[5]O)(C[6]C[6]C)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]HH)(C[6]C[6]O)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]C[6])(C[5]C[5]HH){1|C<4>,1|N<3>,2|O<1>,3|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]N[5]O)(C[6]C[6]C){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]HH)(C[6]C[6]O){1|O<2>,3|C<3>,4|H<1>}	124.4050	0.000	1	124.4050	0.000	1	124.4050	0.000	1	124.4050	0.000	1	121.2157	18.025	86	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	4:3:4:	3:3:3:3:	4:3:4:	C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6a]-3:N[5a,6]-3:C[5,6]-3:C[5]-3:	C[6]-4:C[5,6]-3:C[5]-4:	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)	C[5,6](C[6]N[5a,6]C[6a]H)(C[5,6]C[5,6]C[5])(C[5]O[5]HH)	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>}	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>}	C[5,6](C[6]N[5a,6]C[6a]H)(C[5,6]C[5,6]C[5])(C[5]O[5]HH){1|N<3>,2|H<1>,5|C<3>}	125.9925	0.401	2	125.9925	0.161	2	125.9925	0.161	2	125.9925	0.161	2	121.2157	18.025	86	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	4:3:4:	3:4:3:4:	3:3:3:	C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:C-4:	C[5a,6]-3:C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5a,6]C[5])(C[5]N[5]HO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(C[5,6]C[5,6]C[5])(CH3)	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5])(C[5]N[5]O)	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5a,6]C[5])(C[5]N[5]HO){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(C[5,6]C[5,6]C[5])(CH3){1|C<4>,1|O<2>,2|H<1>,2|N<3>,4|C<3>}	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5])(C[5]N[5]O){1|H<1>,1|N<3>,1|O<2>,3|C<3>,3|C<4>}	124.6720	0.000	1	124.6720	0.000	1	124.6720	0.000	1	124.6720	0.000	1	121.2157	18.025	86	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	4:3:4:	3:4:4:1:	3:4:4:	C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-3:C[6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6a]C[6]H)(C[5]O[5]HH)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])(C[5]O[5]HH){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H){1|C<3>,1|O<2>,1|S<4>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6a]C[6]H)(C[5]O[5]HH){2|C<4>,3|C<3>,4|H<1>}	121.9390	0.000	1	121.9390	0.000	1	121.9390	0.000	1	121.9390	0.000	1	121.2157	18.025	86	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	4:3:4:	3:4:4:2:	3:4:3:	C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5,6]-4:C[5]-4:O-2:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]C[5]O)(C[5,6]C[5]C[6])(C[5]O[5]HH)	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(C[5]O[5]O)	C[5,6](C[5,6]C[5,6]C[5]O)(C[5,6]C[5]C[6])(C[5]O[5]HH){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(C[5]O[5]O){1|O<2>,2|C<4>,4|H<1>}	126.3290	0.000	1	126.3290	0.000	1	126.3290	0.000	1	126.3290	0.000	1	121.2157	18.025	86	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	4:3:4:	4:3:3:1:	3:3:4:	C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-4:C[5,6]-3:C[5]-3:H-1:	C[5a,6]-3:C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5a,6]C[5])(C[5]C[5]FF)	C[5,6](C[5,6]C[5a,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H)(H)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5])(C[5]C[5]FF)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5a,6]C[5])(C[5]C[5]FF){1|C<4>,1|H<1>,1|S<4>,3|C<3>,4|F<1>}	C[5,6](C[5,6]C[5a,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H)(H){2|C<3>,2|F<1>,2|O<1>,3|C<4>}	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5])(C[5]C[5]FF){1|H<1>,1|S<2>,2|C<3>,2|C<4>,4|F<1>}	119.1040	0.000	1	119.1040	0.000	1	119.1040	0.000	1	119.1040	0.000	1	121.2157	18.025	86	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	4:3:4:	4:3:4:1:	3:4:4:	C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-3:C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[5])(C[5]C[5,6]HH)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HO)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[5])(C[5]C[5,6]HH){2|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HO){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	124.1780	0.000	1	124.1780	0.000	1	124.1780	0.000	1	124.1780	0.000	1	121.2157	18.025	86	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	4:4:3:	3:4:4:1:	3:4:4:	C[3,5]-4:C[5,6]-4:C[5,6]-3:	C[5,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6](C[3,5]C[3,5]C[3,6]H)(C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])	C[5,6](C[5,6]C[3,5]C[5,6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[3,5]C[5,6])(C[5]C[3,5]HH)(C[6]C[6]HH)	C[5,6](C[3,5]C[3,5]C[3,6]H)(C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]){6|C<4>,7|H<1>}	C[5,6](C[5,6]C[3,5]C[5,6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){5|C<4>,6|H<1>}	C[5,6](C[5,6]C[3,5]C[5,6])(C[5]C[3,5]HH)(C[6]C[6]HH){3|C<4>,5|H<1>}	121.3850	0.000	1	121.3850	0.000	1	121.3850	0.000	1	121.3850	0.000	1	121.2157	18.025	86	110.8554	51.229	1457
818	474	818	6:SP2_SP2_SP3	C[5,6]	C[5,6]	C[5,6]	4:4:3:	3:4:4:3:	3:4:4:	C[5,5,6]-4:C[5,6]-4:C[5,6]-3:	C[5,6]-3:C[5]-4:C[6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,6]O[5])(C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O)	C[5,6](C[5,6]C[5,5,6]C[5,6])(C[5]C[5,6]C[5]H)(C[6]C[6]CO)	C[5,6](C[5,5,6]C[5,6]O[5,6]O[5])(C[5,6]C[5]2C[6])(C[5,6]C[5]C[6]){1|O<1>,2|O<2>,4|H<1>,9|C<4>}	C[5,6](C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,3|O<2>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,5,6]C[5,6])(C[5]C[5,6]C[5]H)(C[6]C[6]CO){1|C<3>,3|H<1>,4|C<4>,4|O<2>}	126.9270	0.000	1	126.9270	0.000	1	126.9270	0.000	1	126.9270	0.000	1	121.2157	18.025	86	110.8554	51.229	1457