914	643	818	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[5,6]	3:3:	3:3:2:	3:2:2:	C[6,6a]-3:C[5,6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[5,6]-3:N[6]-2:S[5]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]S[5])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6])	C[5,6](N[5,6]C[5,6a]C[6])(N[6]C[6,6a])(S[5]C[5,6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]S[5]){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]){1|C<3>,1|C<4>,1|N<3>,1|S<2>,3|H<1>}	C[5,6](N[5,6]C[5,6a]C[6])(N[6]C[6,6a])(S[5]C[5,6a]){1|C<4>,1|H<1>,4|C<3>}	114.8270	0.123	2	114.8270	0.015	2	114.7203	0.042	3	114.7203	0.042	3	115.5463	1.206	23	115.5463	1.206	23
914	643	818	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[5,6]	3:3:	3:3:2:	3:2:2:	C[6,6a]-3:C[5,6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[5,6]-3:N[6]-2:S[5]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]S[5])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6])	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a])(S[5]C[5])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]S[5]){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]){1|C<3>,1|C<4>,1|N<3>,1|S<2>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a])(S[5]C[5]){1|C<4>,3|C<3>,3|H<1>}	114.5070	0.000	1	114.5070	0.000	1	114.7203	0.042	3	114.7203	0.042	3	115.5463	1.206	23	115.5463	1.206	23
914	643	818	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[5,6]	3:3:	3:3:2:	3:2:3:	C[5,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[5,6,6a]-3:N[6]-2:C[5]-3:	N[6](C[5,6]C[5,6,6a]C[5])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]N[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[5,6])	C[5,6](C[5,6,6a]C[5,6a]N[6,6a])(N[6]C[6,6a])(C[5]C[5]Br)	N[6](C[5,6]C[5,6,6a]C[5])(C[6,6a]C[6,6a]C[6a]){1|Br<1>,1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]N[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]){2|H<1>,4|C<3>}	C[5,6](C[5,6,6a]C[5,6a]N[6,6a])(N[6]C[6,6a])(C[5]C[5]Br){5|C<3>}	114.1600	0.000	1	114.1600	0.000	1	114.1600	0.000	1	114.1600	0.000	1	115.5463	1.206	23	115.5463	1.206	23
914	643	818	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[5,6]	3:3:	3:3:2:	3:2:4:	C[6,6a]-3:C[5,6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[5,6]-3:N[6]-2:C[5]-4:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6])	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a])(C[5]C[5]CH)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]){2|C<3>,2|H<1>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a])(C[5]C[5]CH){2|C<3>,6|H<1>}	115.9400	0.000	1	115.9400	0.000	1	115.9255	0.246	4	115.9255	0.246	4	115.5463	1.206	23	115.5463	1.206	23
914	643	818	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[5,6]	3:3:	3:3:2:	3:2:4:	C[6,6a]-3:C[5,6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[5,6]-3:N[6]-2:C[5]-4:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6])	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a])(C[5]C[5]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]){2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a])(C[5]C[5]HH){3|C<3>,5|H<1>}	115.3340	0.000	1	115.9207	0.368	3	115.9255	0.246	4	115.9255	0.246	4	115.5463	1.206	23	115.5463	1.206	23
914	643	818	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[5,6]	3:3:	3:3:2:	3:2:4:	C[6,6a]-3:C[5,6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[5,6]-3:N[6]-2:C[5]-4:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6])	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a])(C[5]C[5]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]){2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a])(C[5]C[5]HH){4|C<3>,4|H<1>}	115.8820	0.000	1	115.9207	0.368	3	115.9255	0.246	4	115.9255	0.246	4	115.5463	1.206	23	115.5463	1.206	23
914	643	818	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[5,6]	3:3:	3:3:2:	3:2:4:	C[6,6a]-3:C[5,6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[5,6]-3:N[6]-2:C[5]-4:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6])	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a])(C[5]C[5]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]){1|C<3>,1|C<4>,1|N<3>,1|S<1>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a])(C[5]C[5]HH){1|S<1>,2|C<3>,4|H<1>}	116.5460	0.000	1	115.9207	0.368	3	115.9255	0.246	4	115.9255	0.246	4	115.5463	1.206	23	115.5463	1.206	23
914	643	818	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[5,6]	3:3:	3:3:2:	3:3:2:	C[5,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[5,6a]-3:N[5,6]-3:N[6]-2:	N[6](C[5,6]C[5,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(N[6]C[6,6a])	N[6](C[5,6]C[5,6a]N[5,6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]){1|N<3>,2|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(N[6]C[6,6a]){2|O<1>,3|H<1>,4|C<3>}	116.4260	0.000	1	116.4260	0.000	1	116.4260	0.000	1	115.6012	2.732	8	115.5463	1.206	23	115.5463	1.206	23
914	643	818	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[5,6]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[5,6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[5,6,6]-3:N[5]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6,6]N[5])	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6])	C[5,6](C[5,6,6]C[5,6]N[6,6])(N[5]C[6a]C[5])(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6,6]N[5]){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]){1|N<3>,2|H<1>,3|C<3>}	C[5,6](C[5,6,6]C[5,6]N[6,6])(N[5]C[6a]C[5])(N[6]C[6,6a]){1|O<1>,6|C<3>}	113.9850	0.665	3	113.9850	0.443	3	113.9850	0.443	3	115.6012	2.732	8	115.5463	1.206	23	115.5463	1.206	23
914	643	818	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[5,6]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[5,6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[5,6]-3:C[5]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6])	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]){1|N<3>,3|C<3>,3|H<1>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(N[6]C[6,6a]){1|H<1>,5|C<3>}	115.4360	0.387	2	115.4360	0.150	2	115.4360	0.150	2	115.6012	2.732	8	115.5463	1.206	23	115.5463	1.206	23
914	643	818	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[5,6]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[5,6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[5,6]-3:N[5]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]N[5])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[5,6])	C[5,6](N[5,6]C[5,6a]S[6])(N[5]C[5,6a]C)(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]N[5]){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[5,6]){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[5,6](N[5,6]C[5,6a]S[6])(N[5]C[5,6a]C)(N[6]C[6,6a]){2|O<1>,4|C<3>}	117.6390	0.000	1	117.7785	0.039	2	117.7785	0.039	2	115.6012	2.732	8	115.5463	1.206	23	115.5463	1.206	23
914	643	818	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[5,6]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[5,6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[5,6]-3:N[5]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]N[5])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[5,6])	C[5,6](N[5,6]C[5,6a]S[6])(N[5]C[5,6a]C)(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]N[5]){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[5,6]){1|Cl<1>,1|C<3>,1|H<1>,2|N<3>,2|O<1>}	C[5,6](N[5,6]C[5,6a]S[6])(N[5]C[5,6a]C)(N[6]C[6,6a]){2|O<1>,4|C<3>}	117.9180	0.000	1	117.7785	0.039	2	117.7785	0.039	2	115.6012	2.732	8	115.5463	1.206	23	115.5463	1.206	23
914	643	818	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[5,6]	3:3:	3:3:2:	4:2:3:	C[6,6a]-3:C[5,6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[5,6]-4:N[6]-2:C[5]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6])	C[5,6](C[5,6]C[6a]C[5]C[6])(N[6]C[6,6a])(C[5]C[5]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]){1|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	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>}	116.5900	0.000	1	116.5900	0.000	1	115.9893	0.275	3	115.9893	0.275	3	115.5463	1.206	23	115.5463	1.206	23
914	643	818	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[5,6]	3:3:	3:3:2:	4:2:3:	C[6,6a]-3:C[5,6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[5,6]-4:N[6]-2:C[5]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6])	C[5,6](C[5,6]C[6a]C[5]C[6])(N[6]C[6,6a])(C[5]C[5]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	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>}	115.6890	0.093	2	115.6890	0.009	2	115.9893	0.275	3	115.9893	0.275	3	115.5463	1.206	23	115.5463	1.206	23
914	643	818	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[5,6]	3:3:	3:3:2:	4:3:2:	C[6,6a]-3:C[5,6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[5,6]-4:N[5]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6])	C[5,6](C[5,6]C[5,6a]C[5,6]C)(N[5]C[5,6a]C)(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]){1|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6a]C[5,6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]){1|C<4>,5|C<3>}	115.1560	0.000	1	115.1560	0.000	1	115.8017	0.319	3	115.6912	0.262	4	115.5463	1.206	23	115.5463	1.206	23
914	643	818	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[5,6]	3:3:	3:3:2:	4:3:2:	C[6,6a]-3:C[5,6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[5,6]-4:N[5]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6])	C[5,6](C[5,6]C[5]C[6]O)(N[5]C[6a]C[5])(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(N[5]C[6a]C[5])(N[6]C[6,6a]){1|O<1>,4|C<3>,4|H<1>}	116.1245	0.114	2	116.1245	0.013	2	115.8017	0.319	3	115.6912	0.262	4	115.5463	1.206	23	115.5463	1.206	23
914	643	818	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[5,6]	3:3:	3:3:2:	4:3:2:	C[6,6a]-3:C[5,6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[5]-4:N[5,6]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6])	C[5,6](C[5]C[5,6a]C[6a]O)(N[5,6]C[5,6a]C[6])(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,6](C[5]C[5,6a]C[6a]O)(N[5,6]C[5,6a]C[6])(N[6]C[6,6a]){2|H<1>,6|C<3>}	115.3600	0.000	1	115.3600	0.000	1	115.3600	0.000	1	115.6912	0.262	4	115.5463	1.206	23	115.5463	1.206	23
914	643	846	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[4,6]	3:3:	3:3:2:	4:3:2:	C[6,6a]-3:C[4,6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[4]-4:N[4,6]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[4,6]N[4,6]C[4])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[4,6])	C[4,6](C[4]C[6a]2C[4])(N[4,6]C[4]C[6])(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[4,6]N[4,6]C[4]){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[4,6]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[4,6](C[4]C[6a]2C[4])(N[4,6]C[4]C[6])(N[6]C[6,6a]){2|H<1>,7|C<3>}	112.4360	0.000	1	112.4360	0.000	1	112.4360	0.000	1	112.4360	0.000	1	112.4360	0.000	1	112.4360	0.000	1
914	643	856	6:SP2_SP2_SP2	N[6]	C[6,6a]	N[6]	3:3:	3:2:2:	3:2:1:	C[6,6a]-3:N[6]-3:	C[6,6a]-3:N[6a]-2:N[6]-2:	C[6,6a]-3:N[6]-2:O-1:	N[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6,6a]N[6a])(N[6a]C[6a,6a])(N[6]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a])(O)	N[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6,6a]O){1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(N[6a]C[6a,6a])(N[6]N[6]){1|O<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a])(O){1|H<1>,1|N<2>,3|C<3>}	118.0035	0.125	2	118.0035	0.016	2	118.0035	0.016	2	118.0035	0.016	2	117.3265	1.435	6	117.3265	1.435	6
914	643	856	6:SP2_SP2_SP2	N[6]	C[6,6a]	N[6]	3:3:	3:3:2:	3:2:1:	C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-2:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a])(O)	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]O){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]N[6]){1|O<1>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a])(O){1|H<1>,4|C<3>}	117.6860	0.000	1	117.6860	0.000	1	117.6860	0.000	1	117.6860	0.000	1	117.3265	1.435	6	117.3265	1.435	6
914	643	856	6:SP2_SP2_SP2	N[6]	C[6,6a]	N[6]	3:3:	3:3:2:	3:2:4:	C[6,6a]-3:N[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6a]-3:N[6]-2:B[6]-4:	N[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6a]B[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(N[6]N[6])	N[6](C[6a]C[6a]2)(N[6]C[6,6a])(B[6]O[6]FF)	N[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6a]B[6]){1|O<2>,2|F<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(N[6]N[6]){1|B<4>,1|H<1>,5|C<3>}	N[6](C[6a]C[6a]2)(N[6]C[6,6a])(B[6]O[6]FF){2|H<1>,4|C<3>}	118.5940	0.000	1	118.5940	0.000	1	118.5940	0.000	1	118.5940	0.000	1	117.3265	1.435	6	117.3265	1.435	6
914	643	856	6:SP2_SP2_SP2	N[6]	C[6,6a]	N[6]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6]-3:C[6a]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]N[6])	N[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6]){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]N[6]){1|H<1>,1|N<2>,3|C<3>}	N[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6,6a]){2|H<1>,6|C<3>}	116.0150	0.000	1	115.8360	0.064	2	115.8360	0.064	2	115.8360	0.064	2	117.3265	1.435	6	117.3265	1.435	6
914	643	856	6:SP2_SP2_SP2	N[6]	C[6,6a]	N[6]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6]-3:C[6a]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]N[6])	N[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6]){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]N[6]){1|H<1>,1|N<3>,3|C<3>}	N[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6,6a]){2|H<1>,6|C<3>}	115.6570	0.000	1	115.8360	0.064	2	115.8360	0.064	2	115.8360	0.064	2	117.3265	1.435	6	117.3265	1.435	6
914	643	914	6:SP2_SP2_SP2	N[6]	C[6,6a]	N[6]	3:2:	3:3:2:	3:2:	C[6,6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[5a,6]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6])	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]N[6])	N[6](C[5a,6]N[5a,6]N[5a])(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]N[6]){1|N<2>,2|C<3>,2|H<1>}	N[6](C[5a,6]N[5a,6]N[5a])(N[6]C[6,6a]){1|N<2>,3|C<3>}	120.9130	0.000	1	120.9130	0.000	1	120.9130	0.000	1	120.3886	6.484	5	120.3886	6.484	5	120.3886	6.484	5
914	643	914	6:SP2_SP2_SP2	N[6]	C[6,6a]	N[6]	3:2:	3:3:2:	3:2:	C[6,6a]-3:N[6]-2:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6,6a]-3:N[6]-2:	N[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6,6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6a])(N[6]N[6])	N[6](C[6,6a]N[6,6a]C[6a])(N[6]C[6,6a])	N[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6,6a]){1|N<3>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6a])(N[6]N[6]){2|H<1>,5|C<3>}	N[6](C[6,6a]N[6,6a]C[6a])(N[6]C[6,6a]){1|H<1>,4|C<3>}	117.7280	0.000	2	117.7280	0.000	2	117.7280	0.000	2	120.3886	6.484	5	120.3886	6.484	5	120.3886	6.484	5
914	643	914	6:SP2_SP2_SP2	N[6]	C[6,6a]	N[6]	3:2:	3:3:2:	3:2:	C[6,6a]-3:N[6]-2:	N[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-2:	N[6](C[6,6a]N[6,6a]C[6a])(N[6]C[6,6a])	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]N[6])	N[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6,6a])	N[6](C[6,6a]N[6,6a]C[6a])(N[6]C[6,6a]){1|H<1>,4|C<3>}	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]N[6]){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6,6a]){1|N<3>,4|C<3>}	122.7870	0.000	2	122.7870	0.000	2	122.7870	0.000	2	120.3886	6.484	5	120.3886	6.484	5	120.3886	6.484	5
914	643	922	6:SP2_SP2_SP3	N[6]	C[6,6a]	S[6]	3:3:	3:3:2:	2:4:1:	C[6,6a]-3:S[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-2:C[6]-4:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6])	S[6](N[6]C[6,6a])(C[6]C[6]HH)(O)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	S[6](N[6]C[6,6a])(C[6]C[6]HH)(O){1|C<4>,1|H<1>,2|C<3>}	125.2510	0.000	1	125.2510	0.000	1	125.2510	0.000	1	125.2510	0.000	1	125.2510	0.000	1	125.2510	0.000	1
914	643	927	6:SP2_SP2_SP2	N[6]	C[6,6a]	B[6,6a]	3:3:	3:3:2:	3:3:2:	B[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	N[6](B[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]B[6,6a])	B[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6,6a])	N[6](B[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]B[6,6a]){3|C<3>,3|H<1>}	B[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6,6a]){2|H<1>,6|C<3>}	121.6170	0.000	1	121.6170	0.000	1	121.6170	0.000	1	121.6170	0.000	1	121.6170	0.000	1	121.6170	0.000	1
914	643	961	6:SP2_SP2_SP3	N[6]	C[6,6a]	S[6]	3:4:	3:3:2:	3:2:3:1:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a]-3:N[6]-2:C[6]-3:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6a]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]S[6])	S[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]H)(O)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6a]C[6]O){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]S[6]){1|O<1>,3|C<3>,3|H<1>}	S[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]H)(O){3|H<1>,4|C<3>}	122.4280	0.363	2	122.4280	0.132	2	122.4280	0.132	2	122.4280	0.132	2	119.8573	4.178	15	119.8573	4.178	15
914	643	961	6:SP2_SP2_SP3	N[6]	C[6,6a]	S[6]	3:4:	3:3:2:	3:2:4:1:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-2:C-4:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a]CO)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]S[6])	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a])(CH3)(O)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a]CO){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]S[6]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a])(CH3)(O){1|H<1>,4|C<3>}	119.2690	0.000	1	117.7905	4.372	2	118.4633	3.544	3	119.4618	3.592	13	119.8573	4.178	15	119.8573	4.178	15
914	643	961	6:SP2_SP2_SP3	N[6]	C[6,6a]	S[6]	3:4:	3:3:2:	3:2:4:1:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-2:C-4:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a]CO)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]S[6])	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a])(CH3)(O)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a]CO){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]S[6]){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a])(CH3)(O){1|H<1>,4|C<3>}	116.3120	0.000	1	117.7905	4.372	2	118.4633	3.544	3	119.4618	3.592	13	119.8573	4.178	15	119.8573	4.178	15
914	643	961	6:SP2_SP2_SP3	N[6]	C[6,6a]	S[6]	3:4:	3:3:2:	3:2:4:1:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-2:C-4:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a]CO)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]I)(N[6]S[6])	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a])(CCHH)(O)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a]CO){1|I<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]I)(N[6]S[6]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a])(CCHH)(O){1|H<1>,4|C<3>}	119.8090	0.000	1	119.8090	0.000	1	118.4633	3.544	3	119.4618	3.592	13	119.8573	4.178	15	119.8573	4.178	15
914	643	961	6:SP2_SP2_SP3	N[6]	C[6,6a]	S[6]	3:4:	3:3:2:	3:2:4:1:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a]-3:N[6]-2:C[6]-4:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6a]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]S[6])	S[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]CH)(O)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6a]C[6]O){1|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]S[6]){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	S[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]CH)(O){3|H<1>,5|C<3>}	120.4553	2.612	3	120.4553	6.824	3	119.7614	3.570	10	119.4618	3.592	13	119.8573	4.178	15	119.8573	4.178	15
914	643	961	6:SP2_SP2_SP3	N[6]	C[6,6a]	S[6]	3:4:	3:3:2:	3:2:4:1:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a]-3:N[6]-2:C[6]-4:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6a]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6])	S[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]HH)(O)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6a]C[6]O){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	S[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]HH)(O){1|N<3>,3|H<1>,4|C<3>}	117.8570	0.000	1	119.3872	3.234	6	119.7614	3.570	10	119.4618	3.592	13	119.8573	4.178	15	119.8573	4.178	15
914	643	961	6:SP2_SP2_SP3	N[6]	C[6,6a]	S[6]	3:4:	3:3:2:	3:2:4:1:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a]-3:N[6]-2:C[6]-4:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6a]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6])	S[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]HH)(O)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6a]C[6]O){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	S[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]HH)(O){1|C<4>,3|H<1>,4|C<3>}	119.6932	1.828	5	119.3872	3.234	6	119.7614	3.570	10	119.4618	3.592	13	119.8573	4.178	15	119.8573	4.178	15
914	643	961	6:SP2_SP2_SP3	N[6]	C[6,6a]	S[6]	3:4:	3:3:2:	3:2:4:1:	C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a]-3:N[6]-2:C[6]-4:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6a]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]S[6])	S[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]HH)(O)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6a]C[6]O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]S[6]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	S[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]HH)(O){1|C<4>,3|H<1>,4|C<3>}	119.9250	0.000	1	119.9250	0.000	1	119.7614	3.570	10	119.4618	3.592	13	119.8573	4.178	15	119.8573	4.178	15
914	658	762	6:SP2_SP2_SP3	N[6]	Si[6]	C[6]	3:4:	2:2:4:4:	4:3:2:	C[6]-3:Si[6]-4:	N[6]-2:N[6]-2:C-4:C-4:	C[6]-4:C[6a]-3:N[6]-2:	N[6](C[6]C[6a]C[6])(Si[6]N[6]CC)	Si[6](N[6]C[6])2(CH3)2	C[6](C[6]C[6]SiH)(C[6a]C[6a]2)(N[6]Si[6])	N[6](C[6]C[6a]C[6])(Si[6]N[6]CC){1|Si<4>,1|H<1>,3|C<3>}	Si[6](N[6]C[6])2(CH3)2{1|C<4>,2|C<3>}	C[6](C[6]C[6]SiH)(C[6a]C[6a]2)(N[6]Si[6]){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	120.6080	0.574	2	120.6080	0.330	2	120.6080	0.330	2	120.6080	0.330	2	119.7693	3.631	7	119.7693	3.631	7
914	658	762	6:SP2_SP2_SP3	N[6]	Si[6]	C[6]	3:4:	3:2:4:4:	4:3:2:	C[6]-3:Si[6]-4:	C[6]-3:N[6]-2:C-4:C-4:	C[6]-4:C[6a]-3:N[6]-2:	N[6](C[6]C[6a]C[6])(Si[6]C[6]CC)	Si[6](C[6]C[6a]C[6])(N[6]C[6])(CCHH)2	C[6](C[6]C[6]TiC)(C[6a]C[6a]2)(N[6]Si[6])	N[6](C[6]C[6a]C[6])(Si[6]C[6]CC){1|Ti<13>,5|C<3>}	Si[6](C[6]C[6a]C[6])(N[6]C[6])(CCHH)2{1|Ti<13>,1|C<4>,3|C<3>}	C[6](C[6]C[6]TiC)(C[6a]C[6a]2)(N[6]Si[6]){2|C<4>,2|H<1>,3|C<3>}	121.6480	0.000	1	121.6480	0.000	1	120.7870	1.483	2	120.7870	1.483	2	119.7693	3.631	7	119.7693	3.631	7
914	658	762	6:SP2_SP2_SP3	N[6]	Si[6]	C[6]	3:4:	3:2:4:4:	4:3:2:	C[6]-3:Si[6]-4:	C[6]-3:N[6]-2:C-4:C-4:	C[6]-4:C[6a]-3:N[6]-2:	N[6](C[6]C[6a]C[6])(Si[6]C[6]CC)	Si[6](C[6]C[6a]C[6])(N[6]C[6])(CH3)2	C[6](C[6]C[6]TiC)(C[6a]C[6a]2)(N[6]Si[6])	N[6](C[6]C[6a]C[6])(Si[6]C[6]CC){1|Ti<13>,5|C<3>}	Si[6](C[6]C[6a]C[6])(N[6]C[6])(CH3)2{1|Ti<13>,1|C<4>,3|C<3>}	C[6](C[6]C[6]TiC)(C[6a]C[6a]2)(N[6]Si[6]){2|C<4>,2|H<1>,3|C<3>}	119.9260	0.000	1	119.9260	0.000	1	120.7870	1.483	2	120.7870	1.483	2	119.7693	3.631	7	119.7693	3.631	7
914	658	762	6:SP2_SP2_SP3	N[6]	Si[6]	C[6]	4:3:	3:2:1:1:	2:2:3:	Si[6]-4:C[6]-3:	N[6]-3:N[6]-2:Cl-1:Cl-1:	N[6]-2:N[6]-2:N-3:	N[6](Si[6]N[6]Cl2)(C[6]N[6]N)	Si[6](N[6]C[6a]C[6])(N[6]C[6])(Cl)2	C[6](N[6]Si[6])(N[6]C[6])(NCC)	N[6](Si[6]N[6]Cl2)(C[6]N[6]N){2|C<3>}	Si[6](N[6]C[6a]C[6])(N[6]C[6])(Cl)2{1|N<2>,2|C<3>,2|N<3>}	C[6](N[6]Si[6])(N[6]C[6])(NCC){2|Cl<1>,2|N<3>}	117.1715	0.893	2	117.1715	0.798	2	117.1715	0.798	2	117.1715	0.798	2	119.7693	3.631	7	119.7693	3.631	7
914	658	762	6:SP2_SP2_SP3	N[6]	Si[6]	C[6]	4:3:	4:2:4:4:	3:2:4:	Si[6]-4:C[6]-3:	C[6]-4:N[6]-2:C-4:C-4:	C[6]-3:N[6]-2:C-4:	N[6](Si[6]C[6]CC)(C[6]C[6]C)	Si[6](C[6]C[6a]C[6]O)(N[6]C[6])(CH3)2	C[6](C[6]C[6]C)(N[6]Si[6])(CC3)	N[6](Si[6]C[6]CC)(C[6]C[6]C){1|C<2>,1|O<2>,2|C<3>}	Si[6](C[6]C[6a]C[6]O)(N[6]C[6])(CH3)2{1|C<4>,4|C<3>}	C[6](C[6]C[6]C)(N[6]Si[6])(CC3){1|C<3>,3|C<4>}	121.2520	0.000	1	121.2520	0.000	1	121.2520	0.000	1	121.2520	0.000	1	119.7693	3.631	7	119.7693	3.631	7
914	727	727	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[5a,6]	3:3:	3:3:2:	3:2:2:	C[5a,6]-3:C[5a,6]-3:	C[5a,6]-3:N[5a]-3:N[6]-2:	N[5a,6]-3:N[6]-2:N[5a]-2:	N[6](C[5a,6]C[5a,6]N[5a])(C[5a,6]N[5a,6]N[5a])	C[5a,6](C[5a,6]C[5a,6a]N[6])(N[5a]C[5a,6a]H)(N[6]C[5a,6])	C[5a,6](N[5a,6]N[5a]N[6])(N[6]C[5a,6])(N[5a]N[5a])	N[6](C[5a,6]C[5a,6]N[5a])(C[5a,6]N[5a,6]N[5a]){1|H<1>,2|C<3>,3|N<2>}	C[5a,6](C[5a,6]C[5a,6a]N[6])(N[5a]C[5a,6a]H)(N[6]C[5a,6]){1|N<2>,1|N<3>,2|C<3>}	C[5a,6](N[5a,6]N[5a]N[6])(N[6]C[5a,6])(N[5a]N[5a]){1|C<3>,1|N<3>}	111.6110	0.000	1	111.6110	0.000	1	111.6110	0.000	1	111.6110	0.000	1	118.0171	4.555	393	118.0171	4.555	393
914	727	727	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[5a,6]-3:	C[5a,6a]-3:N[5a,6,6]-3:N[6]-2:	C[5a,6a]-3:N[5a,6,6]-3:N[6]-2:	N[6](C[5a,6]N[5a,6,6]C[5a,6a])2	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6,6]C[5a,6]B[3x6])(N[6]C[5a,6])	C[5a,6](C[5a,6a]C[5a,6a]C[6,6a])(N[5a,6,6]C[5a,6]B[3x6])(N[6]C[5a,6])	N[6](C[5a,6]N[5a,6,6]C[5a,6a])2{1|B<4>,6|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6,6]C[5a,6]B[3x6])(N[6]C[5a,6]){1|N<2>,2|N<3>,2|O<2>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6,6a])(N[5a,6,6]C[5a,6]B[3x6])(N[6]C[5a,6]){1|N<2>,2|N<3>,2|O<2>,3|C<3>}	116.7630	0.139	2	116.7630	0.019	2	116.8118	0.153	4	118.0334	4.461	392	118.0171	4.555	393	118.0171	4.555	393
914	727	727	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[5a,6]-3:	C[5a,6a]-3:N[5a,6,6]-3:N[6]-2:	C[5a,6a]-3:N[5a,6,6]-3:N[6]-2:	N[6](C[5a,6]N[5a,6,6]C[5a,6a])2	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6,6]C[5a,6]B[3x6])(N[6]C[5a,6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6,6]C[5a,6]B[3x6])(N[6]C[5a,6])	N[6](C[5a,6]N[5a,6,6]C[5a,6a])2{1|B<4>,6|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6,6]C[5a,6]B[3x6])(N[6]C[5a,6]){1|N<2>,1|O<2>,2|N<3>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6,6]C[5a,6]B[3x6])(N[6]C[5a,6]){1|N<2>,1|O<2>,2|N<3>,4|C<3>}	117.3240	0.000	1	116.8605	0.430	2	116.8118	0.153	4	118.0334	4.461	392	118.0171	4.555	393	118.0171	4.555	393
914	727	727	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[5a,6]-3:	C[5a,6a]-3:N[5a,6,6]-3:N[6]-2:	C[5a,6a]-3:N[5a,6,6]-3:N[6]-2:	N[6](C[5a,6]N[5a,6,6]C[5a,6a])2	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6,6]C[5a,6]B[3x6])(N[6]C[5a,6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6,6]C[5a,6]B[3x6])(N[6]C[5a,6])	N[6](C[5a,6]N[5a,6,6]C[5a,6a])2{1|B<4>,6|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6,6]C[5a,6]B[3x6])(N[6]C[5a,6]){1|N<2>,2|N<3>,2|O<2>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6,6]C[5a,6]B[3x6])(N[6]C[5a,6]){1|N<2>,2|N<3>,2|O<2>,3|C<3>}	116.3970	0.000	1	116.8605	0.430	2	116.8118	0.153	4	118.0334	4.461	392	118.0171	4.555	393	118.0171	4.555	393
914	727	727	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[5a,6]-3:	C[5a,6a]-3:N[5a,6]-3:N[6]-2:	C[5a,6a]-3:N[5a,6]-3:N[6]-2:	N[6](C[5a,6]C[5a,6a]N[5a,6])2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(N[6]C[5a,6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(N[6]C[5a,6])	N[6](C[5a,6]C[5a,6a]N[5a,6])2{1|B<4>,6|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(N[6]C[5a,6]){1|C<2>,1|F<1>,1|H<1>,1|N<3>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(N[6]C[5a,6]){1|C<2>,1|F<1>,1|H<1>,1|N<3>,4|C<3>}	119.0840	0.000	1	119.4140	0.179	5	119.4307	0.145	6	118.0334	4.461	392	118.0171	4.555	393	118.0171	4.555	393
914	727	727	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[5a,6]-3:	C[5a,6a]-3:N[5a,6]-3:N[6]-2:	C[5a,6a]-3:N[5a,6]-3:N[6]-2:	N[6](C[5a,6]C[5a,6a]N[5a,6])2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(N[6]C[5a,6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(N[6]C[5a,6])	N[6](C[5a,6]C[5a,6a]N[5a,6])2{1|B<4>,6|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(N[6]C[5a,6]){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(N[6]C[5a,6]){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	119.2110	0.330	2	119.4140	0.179	5	119.4307	0.145	6	118.0334	4.461	392	118.0171	4.555	393	118.0171	4.555	393
914	727	727	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[5a,6]-3:	C[5a,6a]-3:N[5a,6]-3:N[6]-2:	C[5a,6a]-3:N[5a,6]-3:N[6]-2:	N[6](C[5a,6]C[5a,6a]N[5a,6])2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(N[6]C[5a,6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(N[6]C[5a,6])	N[6](C[5a,6]C[5a,6a]N[5a,6])2{1|B<4>,6|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(N[6]C[5a,6]){1|H<1>,1|N<3>,6|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(N[6]C[5a,6]){1|H<1>,1|N<3>,6|C<3>}	120.0520	0.000	1	119.4140	0.179	5	119.4307	0.145	6	118.0334	4.461	392	118.0171	4.555	393	118.0171	4.555	393
914	727	727	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[5a,6]-3:	C[5a,6a]-3:N[5a,6]-3:N[6]-2:	C[5a,6a]-3:N[5a,6]-3:N[6]-2:	N[6](C[5a,6]C[5a,6a]N[5a,6])2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(N[6]C[5a,6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(N[6]C[5a,6])	N[6](C[5a,6]C[5a,6a]N[5a,6])2{1|B<4>,6|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(N[6]C[5a,6]){2|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(N[6]C[5a,6]){2|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	119.5120	0.000	1	119.4140	0.179	5	119.4307	0.145	6	118.0334	4.461	392	118.0171	4.555	393	118.0171	4.555	393
914	727	727	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[5a,6]-3:	C[5a,6a]-3:N[5a,6]-3:N[6]-2:	C[5a,6a]-3:N[5a,6]-3:N[6]-2:	N[6](C[5a,6]C[5a,6a]N[5a,6])2	C[5a,6](C[5a,6a]C[5a,6a]N[6a])(N[5a,6]C[5a]B[6])(N[6]C[5a,6])	C[5a,6](C[5a,6a]C[5a,6a]N[6a])(N[5a,6]C[5a]B[6])(N[6]C[5a,6])	N[6](C[5a,6]C[5a,6a]N[5a,6])2{1|B<4>,2|N<2>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]N[6a])(N[5a,6]C[5a]B[6])(N[6]C[5a,6]){1|N<2>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]N[6a])(N[5a,6]C[5a]B[6])(N[6]C[5a,6]){1|N<2>,1|N<3>,2|F<1>,3|C<3>}	119.5140	0.000	1	119.5140	0.000	1	119.4307	0.145	6	118.0334	4.461	392	118.0171	4.555	393	118.0171	4.555	393
914	727	727	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[5a,6]-3:	C[5a,6a]-3:N[5a,6]-3:N[6]-2:	N[5a,6]-3:C[5a]-3:N[6]-2:	N[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a]B[6])(N[6]C[5a,6])	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(N[6]C[5a,6])	N[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a]){1|B<4>,6|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a]B[6])(N[6]C[5a,6]){1|N<3>,2|F<1>,5|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	120.0850	0.000	1	120.0850	0.000	1	120.0850	0.000	1	118.0334	4.461	392	118.0171	4.555	393	118.0171	4.555	393
914	727	727	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:C[5a,5a]-3:N[6]-2:	N[5a,6,6]-3:C[5a,5a]-3:N[6]-2:	N[6](C[5a,6]N[5a,6,6]C[5a,5a])2	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[5a,5a]C[5a,5a]N[5a])(N[6]C[5a,6])	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[5a,5a]C[5a,5a]N[5a])(N[6]C[5a,6])	N[6](C[5a,6]N[5a,6,6]C[5a,5a])2{1|Ga<5>,2|N<2>,4|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[5a,5a]C[5a,5a]N[5a])(N[6]C[5a,6]){1|Cl<1>,1|C<3>,1|S<2>,2|N<2>,3|N<3>}	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[5a,5a]C[5a,5a]N[5a])(N[6]C[5a,6]){1|Cl<1>,1|C<3>,1|S<2>,2|N<2>,3|N<3>}	122.4486	0.309	8	122.4486	0.096	8	122.4486	0.096	8	118.0334	4.461	392	118.0171	4.555	393	118.0171	4.555	393
914	727	727	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:C[5a,6]-3:N[6]-2:	N[5a,6,6]-3:C[5a,6]-3:N[6]-2:	N[6](C[5a,6]N[5a,6,6]C[5a,6])2	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6]C[5a,6]C[6])(N[6]C[5a,6])	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6]C[5a,6]C[6])(N[6]C[5a,6])	N[6](C[5a,6]N[5a,6,6]C[5a,6])2{1|B<4>,2|C<2>,4|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6]C[5a,6]C[6])(N[6]C[5a,6]){1|C<3>,1|N<2>,2|N<3>,3|C<2>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6]C[5a,6]C[6])(N[6]C[5a,6]){1|C<3>,1|N<2>,2|N<3>,3|C<2>}	116.7365	0.321	6	116.7365	0.103	6	116.7365	0.103	6	118.0334	4.461	392	118.0171	4.555	393	118.0171	4.555	393
914	727	727	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:C[5a,6]-3:N[6]-2:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[6](C[5a,6]N[5a,6,6]C[5a,6a])(C[5a,6]N[5a,6,6]C[5a,6])	C[5a,6](N[5a,6,6]C[5a,6]Ge[4x6])(C[5a,6]C[5a,6]C[6])(N[6]C[5a,6])	C[5a,6](N[5a,6,6]C[5a,6]Ge[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	N[6](C[5a,6]N[5a,6,6]C[5a,6a])(C[5a,6]N[5a,6,6]C[5a,6]){1|Ge<6>,6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Ge[4x6])(C[5a,6]C[5a,6]C[6])(N[6]C[5a,6]){1|C<2>,1|H<1>,1|N<2>,2|C<3>,2|I<1>,3|N<3>}	C[5a,6](N[5a,6,6]C[5a,6]Ge[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<2>,2|I<1>,3|C<3>,3|N<3>}	122.2300	0.000	1	122.2300	0.000	1	122.2300	0.000	1	118.0334	4.461	392	118.0171	4.555	393	118.0171	4.555	393
914	727	727	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	C[5a,6a]-3:N[5a,6,6]-3:N[6]-2:	N[6](C[5a,6]N[5a,6,6]C[5a,6a])2	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6,6]C[5a,6]B[3x6])(N[6]C[5a,6])	N[6](C[5a,6]N[5a,6,6]C[5a,6a])2{1|B<4>,6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<2>,1|O<2>,2|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6,6]C[5a,6]B[3x6])(N[6]C[5a,6]){1|N<2>,1|O<2>,2|N<3>,4|C<3>}	116.6330	0.572	4	116.6330	0.327	4	116.6330	0.327	4	118.0334	4.461	392	118.0171	4.555	393	118.0171	4.555	393
914	727	727	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[5,5a,6]-3:C[5a,6a]-3:N[6]-2:	N[6](C[5a,6]N[5,5a,6]C[5a,6a])(C[5a,6]N[5a,6,6]C[5a,6a])	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6](N[5,5a,6]P[5,3x6]C[5,5a])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	N[6](C[5a,6]N[5,5a,6]C[5a,6a])(C[5a,6]N[5a,6,6]C[5a,6a]){1|P<6>,6|C<3>}	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<2>,2|O<2>,3|C<3>,3|N<3>}	C[5a,6](N[5,5a,6]P[5,3x6]C[5,5a])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|H<1>,2|O<2>,3|N<3>,4|C<3>}	118.2255	0.527	2	118.2255	0.278	2	118.2255	0.278	2	118.0334	4.461	392	118.0171	4.555	393	118.0171	4.555	393
914	727	727	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[5a,6,6]-3:C[5a,6]-3:N[6]-2:	N[6](C[5a,6]N[5a,6,6]C[5a,6a])(C[5a,6]N[5a,6,6]C[5a,6])	C[5a,6](N[5a,6,6]C[5a,6]Ge[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6](N[5a,6,6]C[5a,6]Ge[4x6])(C[5a,6]C[5a,6]C[6])(N[6]C[5a,6])	N[6](C[5a,6]N[5a,6,6]C[5a,6a])(C[5a,6]N[5a,6,6]C[5a,6]){1|Ge<6>,6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Ge[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<2>,2|I<1>,3|C<3>,3|N<3>}	C[5a,6](N[5a,6,6]C[5a,6]Ge[4x6])(C[5a,6]C[5a,6]C[6])(N[6]C[5a,6]){1|H<1>,1|N<2>,2|I<1>,3|C<3>,3|N<3>}	122.8460	0.000	1	122.8460	0.000	1	122.8460	0.000	1	118.0334	4.461	392	118.0171	4.555	393	118.0171	4.555	393
914	727	727	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[6](C[5a,6]N[5a,6,6]C[5a,6a])2	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	N[6](C[5a,6]N[5a,6,6]C[5a,6a])2{1|B<4>,6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|Br<1>,1|Cl<1>,1|N<2>,2|N<3>,3|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|Br<1>,1|Cl<1>,1|N<2>,2|N<3>,3|C<3>}	116.6885	0.230	2	116.8427	0.191	263	117.8617	4.225	334	118.0334	4.461	392	118.0171	4.555	393	118.0171	4.555	393
914	727	727	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[6](C[5a,6]N[5a,6,6]C[5a,6a])2	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	N[6](C[5a,6]N[5a,6,6]C[5a,6a])2{1|B<4>,6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|Br<1>,1|F<1>,1|N<2>,2|N<3>,3|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|Br<1>,1|F<1>,1|N<2>,2|N<3>,3|C<3>}	116.2293	0.220	3	116.8427	0.191	263	117.8617	4.225	334	118.0334	4.461	392	118.0171	4.555	393	118.0171	4.555	393
914	727	727	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[6](C[5a,6]N[5a,6,6]C[5a,6a])2	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	N[6](C[5a,6]N[5a,6,6]C[5a,6a])2{1|B<4>,6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|Br<1>,1|H<1>,1|N<2>,2|N<3>,3|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|Br<1>,1|H<1>,1|N<2>,2|N<3>,3|C<3>}	116.9970	0.301	2	116.8427	0.191	263	117.8617	4.225	334	118.0334	4.461	392	118.0171	4.555	393	118.0171	4.555	393
914	727	727	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[6](C[5a,6]N[5a,6,6]C[5a,6a])2	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	N[6](C[5a,6]N[5a,6,6]C[5a,6a])2{1|B<4>,6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|C<2>,1|H<1>,1|N<2>,2|N<3>,3|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|C<2>,1|H<1>,1|N<2>,2|N<3>,3|C<3>}	116.6033	0.151	12	116.8427	0.191	263	117.8617	4.225	334	118.0334	4.461	392	118.0171	4.555	393	118.0171	4.555	393
914	727	727	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[6](C[5a,6]N[5a,6,6]C[5a,6a])2	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	N[6](C[5a,6]N[5a,6,6]C[5a,6a])2{1|B<4>,6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|C<4>,1|H<1>,1|N<2>,2|N<3>,3|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|C<4>,1|H<1>,1|N<2>,2|N<3>,3|C<3>}	116.5470	0.311	6	116.8427	0.191	263	117.8617	4.225	334	118.0334	4.461	392	118.0171	4.555	393	118.0171	4.555	393
914	727	727	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[6](C[5a,6]N[5a,6,6]C[5a,6a])2	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	N[6](C[5a,6]N[5a,6,6]C[5a,6a])2{1|B<4>,6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|Cl<1>,1|F<1>,1|N<2>,2|N<3>,3|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|Cl<1>,1|F<1>,1|N<2>,2|N<3>,3|C<3>}	116.8010	0.839	3	116.8427	0.191	263	117.8617	4.225	334	118.0334	4.461	392	118.0171	4.555	393	118.0171	4.555	393
914	727	727	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[6](C[5a,6]N[5a,6,6]C[5a,6a])2	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	N[6](C[5a,6]N[5a,6,6]C[5a,6a])2{1|B<4>,6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|Cl<1>,1|H<1>,1|N<2>,2|N<3>,3|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|Cl<1>,1|H<1>,1|N<2>,2|N<3>,3|C<3>}	116.8206	0.311	24	116.8427	0.191	263	117.8617	4.225	334	118.0334	4.461	392	118.0171	4.555	393	118.0171	4.555	393
914	727	727	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[6](C[5a,6]N[5a,6,6]C[5a,6a])2	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	N[6](C[5a,6]N[5a,6,6]C[5a,6a])2{1|B<4>,6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|Cl<1>,1|N<2>,1|S<2>,2|N<3>,3|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|Cl<1>,1|N<2>,1|S<2>,2|N<3>,3|C<3>}	116.1160	0.000	1	116.8427	0.191	263	117.8617	4.225	334	118.0334	4.461	392	118.0171	4.555	393	118.0171	4.555	393
914	727	727	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[6](C[5a,6]N[5a,6,6]C[5a,6a])2	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	N[6](C[5a,6]N[5a,6,6]C[5a,6a])2{1|B<4>,6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|F<1>,1|H<1>,1|N<2>,2|N<3>,3|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|F<1>,1|H<1>,1|N<2>,2|N<3>,3|C<3>}	116.9690	0.041	2	116.8427	0.191	263	117.8617	4.225	334	118.0334	4.461	392	118.0171	4.555	393	118.0171	4.555	393
914	727	727	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[6](C[5a,6]N[5a,6,6]C[5a,6a])2	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	N[6](C[5a,6]N[5a,6,6]C[5a,6a])2{1|B<4>,6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|F<1>,1|N<2>,1|O<2>,2|N<3>,3|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|F<1>,1|N<2>,1|O<2>,2|N<3>,3|C<3>}	116.5637	0.605	21	116.8427	0.191	263	117.8617	4.225	334	118.0334	4.461	392	118.0171	4.555	393	118.0171	4.555	393
914	727	727	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[6](C[5a,6]N[5a,6,6]C[5a,6a])2	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	N[6](C[5a,6]N[5a,6,6]C[5a,6a])2{1|B<4>,6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<2>,1|O<2>,2|N<3>,3|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<2>,1|O<2>,2|N<3>,3|C<3>}	116.9420	0.423	163	116.8427	0.191	263	117.8617	4.225	334	118.0334	4.461	392	118.0171	4.555	393	118.0171	4.555	393
914	727	727	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[6](C[5a,6]N[5a,6,6]C[5a,6a])2	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	N[6](C[5a,6]N[5a,6,6]C[5a,6a])2{1|B<4>,6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<2>,1|S<2>,2|N<3>,3|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<2>,1|S<2>,2|N<3>,3|C<3>}	116.8420	0.150	3	116.8427	0.191	263	117.8617	4.225	334	118.0334	4.461	392	118.0171	4.555	393	118.0171	4.555	393
914	727	727	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[6](C[5a,6]N[5a,6,6]C[5a,6a])2	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	N[6](C[5a,6]N[5a,6,6]C[5a,6a])2{1|B<4>,6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<2>,3|C<3>,3|N<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<2>,3|C<3>,3|N<3>}	116.6438	0.329	6	116.8427	0.191	263	117.8617	4.225	334	118.0334	4.461	392	118.0171	4.555	393	118.0171	4.555	393
914	727	727	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[6](C[5a,6]N[5a,6,6]C[5a,6a])2	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	N[6](C[5a,6]N[5a,6,6]C[5a,6a])2{1|B<4>,6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|N<2>,2|F<1>,2|N<3>,3|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|N<2>,2|F<1>,2|N<3>,3|C<3>}	116.6319	0.271	9	116.8427	0.191	263	117.8617	4.225	334	118.0334	4.461	392	118.0171	4.555	393	118.0171	4.555	393
914	727	727	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[6](C[5a,6]N[5a,6,6]C[5a,6a])2	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	N[6](C[5a,6]N[5a,6,6]C[5a,6a])2{1|B<4>,6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){2|Cl<1>,1|N<2>,2|N<3>,3|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){2|Cl<1>,1|N<2>,2|N<3>,3|C<3>}	116.9063	0.454	6	116.8427	0.191	263	117.8617	4.225	334	118.0334	4.461	392	118.0171	4.555	393	118.0171	4.555	393
914	727	727	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[6](C[5a,6]N[5a,6,6]C[5a,6a])2	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]N[6a])(N[6]C[5a,6])	N[6](C[5a,6]N[5a,6,6]C[5a,6a])2{1|B<4>,1|N<2>,5|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<2>,1|O<2>,2|N<3>,3|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]N[6a])(N[6]C[5a,6]){1|O<2>,2|C<3>,2|N<2>,2|N<3>}	116.4940	0.000	1	116.4940	0.000	1	117.8617	4.225	334	118.0334	4.461	392	118.0171	4.555	393	118.0171	4.555	393
914	727	727	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[6](C[5a,6]N[5a,6,6]C[5a,6a])2	C[5a,6](N[5a,6,6]C[5a,6]Ge[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6](N[5a,6,6]C[5a,6]Ge[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	N[6](C[5a,6]N[5a,6,6]C[5a,6a])2{1|Ge<4>,6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Ge[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<2>,3|C<3>,3|N<3>}	C[5a,6](N[5a,6,6]C[5a,6]Ge[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<2>,3|C<3>,3|N<3>}	122.5180	1.021	2	122.4654	0.594	8	117.8617	4.225	334	118.0334	4.461	392	118.0171	4.555	393	118.0171	4.555	393
914	727	727	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[6](C[5a,6]N[5a,6,6]C[5a,6a])2	C[5a,6](N[5a,6,6]C[5a,6]Ge[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6](N[5a,6,6]C[5a,6]Ge[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	N[6](C[5a,6]N[5a,6,6]C[5a,6a])2{1|Ge<6>,6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Ge[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<2>,2|I<1>,3|C<3>,3|N<3>}	C[5a,6](N[5a,6,6]C[5a,6]Ge[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<2>,2|I<1>,3|C<3>,3|N<3>}	122.7680	1.233	2	122.4654	0.594	8	117.8617	4.225	334	118.0334	4.461	392	118.0171	4.555	393	118.0171	4.555	393
914	727	727	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[6](C[5a,6]N[5a,6,6]C[5a,6a])2	C[5a,6](N[5a,6,6]C[5a,6]Ge[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6](N[5a,6,6]C[5a,6]Ge[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	N[6](C[5a,6]N[5a,6,6]C[5a,6a])2{1|Ge<6>,6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Ge[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<2>,3|C<3>,5|N<3>}	C[5a,6](N[5a,6,6]C[5a,6]Ge[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<2>,3|C<3>,5|N<3>}	121.7285	0.069	2	122.4654	0.594	8	117.8617	4.225	334	118.0334	4.461	392	118.0171	4.555	393	118.0171	4.555	393
914	727	727	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[6](C[5a,6]N[5a,6,6]C[5a,6a])2	C[5a,6](N[5a,6,6]C[5a,6]Ge[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6](N[5a,6,6]C[5a,6]Ge[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	N[6](C[5a,6]N[5a,6,6]C[5a,6a])2{1|Ge<6>,6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Ge[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){2|Cl<1>,1|H<1>,1|N<2>,3|C<3>,3|N<3>}	C[5a,6](N[5a,6,6]C[5a,6]Ge[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){2|Cl<1>,1|H<1>,1|N<2>,3|C<3>,3|N<3>}	122.8470	0.165	2	122.4654	0.594	8	117.8617	4.225	334	118.0334	4.461	392	118.0171	4.555	393	118.0171	4.555	393
914	727	727	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[6](C[5a,6]N[5a,6,6]C[5a,6a])2	C[5a,6](N[5a,6,6]C[5a,6]In[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6](N[5a,6,6]C[5a,6]In[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	N[6](C[5a,6]N[5a,6,6]C[5a,6a])2{1|In<5>,6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]In[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|Fe<8>,1|H<1>,1|N<2>,3|C<3>,3|N<3>}	C[5a,6](N[5a,6,6]C[5a,6]In[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|Fe<8>,1|H<1>,1|N<2>,3|C<3>,3|N<3>}	123.5305	0.246	4	123.5305	0.061	4	117.8617	4.225	334	118.0334	4.461	392	118.0171	4.555	393	118.0171	4.555	393
914	727	727	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[6](C[5a,6]N[5a,6,6]C[5a,6a])2	C[5a,6](N[5a,6,6]C[5a,6]Si[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6](N[5a,6,6]C[5a,6]Si[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	N[6](C[5a,6]N[5a,6,6]C[5a,6a])2{1|Si<6>,6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Si[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<2>,2|O<2>,3|C<3>,3|N<3>}	C[5a,6](N[5a,6,6]C[5a,6]Si[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<2>,2|O<2>,3|C<3>,3|N<3>}	121.4787	0.600	53	121.4780	0.363	57	117.8617	4.225	334	118.0334	4.461	392	118.0171	4.555	393	118.0171	4.555	393
914	727	727	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[6](C[5a,6]N[5a,6,6]C[5a,6a])2	C[5a,6](N[5a,6,6]C[5a,6]Si[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6](N[5a,6,6]C[5a,6]Si[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	N[6](C[5a,6]N[5a,6,6]C[5a,6a])2{1|Si<6>,6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Si[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|N<2>,1|S<2>,2|O<2>,3|C<3>,3|N<3>}	C[5a,6](N[5a,6,6]C[5a,6]Si[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|N<2>,1|S<2>,2|O<2>,3|C<3>,3|N<3>}	122.0885	0.317	2	121.4780	0.363	57	117.8617	4.225	334	118.0334	4.461	392	118.0171	4.555	393	118.0171	4.555	393
914	727	727	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[6](C[5a,6]N[5a,6,6]C[5a,6a])2	C[5a,6](N[5a,6,6]C[5a,6]Si[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6](N[5a,6,6]C[5a,6]Si[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	N[6](C[5a,6]N[5a,6,6]C[5a,6a])2{1|Si<6>,6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Si[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){2|Cl<1>,1|H<1>,1|N<2>,3|C<3>,3|N<3>}	C[5a,6](N[5a,6,6]C[5a,6]Si[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){2|Cl<1>,1|H<1>,1|N<2>,3|C<3>,3|N<3>}	120.8495	0.026	2	121.4780	0.363	57	117.8617	4.225	334	118.0334	4.461	392	118.0171	4.555	393	118.0171	4.555	393
914	727	727	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[6](C[5a,6]N[5a,6,6]C[5a,6a])2	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	N[6](C[5a,6]N[5a,6,6]C[5a,6a])2{1|P<6>,6|C<3>}	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<2>,2|O<2>,3|C<3>,3|N<3>}	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<2>,2|O<2>,3|C<3>,3|N<3>}	121.5760	0.000	1	121.5760	0.000	1	117.8617	4.225	334	118.0334	4.461	392	118.0171	4.555	393	118.0171	4.555	393
914	727	727	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:C[5a]-3:N[6]-2:	N[5a,6,6]-3:C[5a]-3:N[6]-2:	N[6](C[5a,6]N[5a,6,6]C[5a])2	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a]C[5a]C)(N[6]C[5a,6])	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a]C[5a]C)(N[6]C[5a,6])	N[6](C[5a,6]N[5a,6,6]C[5a])2{1|B<4>,1|C<4>,5|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a]C[5a]C)(N[6]C[5a,6]){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|N<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a]C[5a]C)(N[6]C[5a,6]){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|N<3>}	116.5710	0.000	1	116.4818	0.379	5	116.5399	0.254	8	118.0334	4.461	392	118.0171	4.555	393	118.0171	4.555	393
914	727	727	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:C[5a]-3:N[6]-2:	N[5a,6,6]-3:C[5a]-3:N[6]-2:	N[6](C[5a,6]N[5a,6,6]C[5a])2	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a]C[5a]C)(N[6]C[5a,6])	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a]C[5a]C)(N[6]C[5a,6])	N[6](C[5a,6]N[5a,6,6]C[5a])2{1|B<4>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a]C[5a]C)(N[6]C[5a,6]){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|N<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a]C[5a]C)(N[6]C[5a,6]){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|N<3>}	116.7497	0.497	3	116.4818	0.379	5	116.5399	0.254	8	118.0334	4.461	392	118.0171	4.555	393	118.0171	4.555	393
914	727	727	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:C[5a]-3:N[6]-2:	N[5a,6,6]-3:C[5a]-3:N[6]-2:	N[6](C[5a,6]N[5a,6,6]C[5a])2	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a]C[5a]C)(N[6]C[5a,6])	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a]C[5a]C)(N[6]C[5a,6])	N[6](C[5a,6]N[5a,6,6]C[5a])2{1|B<4>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a]C[5a]C)(N[6]C[5a,6]){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|N<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a]C[5a]C)(N[6]C[5a,6]){1|N<2>,1|O<2>,2|C<3>,2|N<3>}	115.5890	0.000	1	116.4818	0.379	5	116.5399	0.254	8	118.0334	4.461	392	118.0171	4.555	393	118.0171	4.555	393
914	727	727	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:C[5a]-3:N[6]-2:	N[5a,6,6]-3:C[5a]-3:N[6]-2:	N[6](C[5a,6]N[5a,6,6]C[5a])2	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a]C[5a]C[6a])(N[6]C[5a,6])	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a]C[5a]C[6a])(N[6]C[5a,6])	N[6](C[5a,6]N[5a,6,6]C[5a])2{1|B<4>,6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a]C[5a]C[6a])(N[6]C[5a,6]){1|N<2>,1|O<2>,2|N<3>,4|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a]C[5a]C[6a])(N[6]C[5a,6]){1|N<2>,1|O<2>,2|N<3>,4|C<3>}	116.6367	0.328	3	116.6367	0.108	3	116.5399	0.254	8	118.0334	4.461	392	118.0171	4.555	393	118.0171	4.555	393
914	727	727	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:C[5a]-3:N[6]-2:	N[5a,6]-3:C[5a]-3:N[6]-2:	N[6](C[5a,6]N[5a,6,6]C[5a])(C[5a,6]N[5a,6]C[5a])	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a]C[5a]C[6a])(N[6]C[5a,6])	C[5a,6](N[5a,6]B[6,6]C[5a])(C[5a]C[5a]C[6a])(N[6]C[5a,6])	N[6](C[5a,6]N[5a,6,6]C[5a])(C[5a,6]N[5a,6]C[5a]){1|B<4>,6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a]C[5a]C[6a])(N[6]C[5a,6]){1|F<1>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[5a,6](N[5a,6]B[6,6]C[5a])(C[5a]C[5a]C[6a])(N[6]C[5a,6]){1|F<1>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	118.4040	0.000	1	118.4040	0.000	1	118.4040	0.000	1	118.0334	4.461	392	118.0171	4.555	393	118.0171	4.555	393
914	727	727	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[5a,6]-3:	N[5a,6]-3:C[5a]-3:N[6]-2:	N[5a,6]-3:C[5a]-3:N[6]-2:	N[6](C[5a,6]N[5a,6]C[5a])2	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[5a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[5a]C[5a,6a]C[6a])(N[6]C[5a,6])	N[6](C[5a,6]N[5a,6]C[5a])2{1|B<4>,6|C<3>}	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[5a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|N<3>,2|F<1>,5|C<3>}	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[5a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|N<3>,2|F<1>,5|C<3>}	119.7640	0.000	1	119.7640	0.000	1	120.0376	0.209	16	118.0334	4.461	392	118.0171	4.555	393	118.0171	4.555	393
914	727	727	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[5a,6]-3:	N[5a,6]-3:C[5a]-3:N[6]-2:	N[5a,6]-3:C[5a]-3:N[6]-2:	N[6](C[5a,6]N[5a,6]C[5a])2	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6])(N[6]C[5a,6])	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6])(N[6]C[5a,6])	N[6](C[5a,6]N[5a,6]C[5a])2{1|B<4>,6|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6])(N[6]C[5a,6]){1|Br<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6])(N[6]C[5a,6]){1|Br<1>,1|N<3>,2|F<1>,4|C<3>}	119.4840	0.000	1	119.4840	0.000	1	120.0376	0.209	16	118.0334	4.461	392	118.0171	4.555	393	118.0171	4.555	393
914	727	727	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[5a,6]-3:	N[5a,6]-3:C[5a]-3:N[6]-2:	N[5a,6]-3:C[5a]-3:N[6]-2:	N[6](C[5a,6]N[5a,6]C[5a])2	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(N[6]C[5a,6])	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(N[6]C[5a,6])	N[6](C[5a,6]N[5a,6]C[5a])2{1|B<4>,6|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<3>,2|C<2>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<3>,2|C<2>,4|C<3>}	119.9450	0.000	1	120.0966	0.208	14	120.0376	0.209	16	118.0334	4.461	392	118.0171	4.555	393	118.0171	4.555	393
914	727	727	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[5a,6]-3:	N[5a,6]-3:C[5a]-3:N[6]-2:	N[5a,6]-3:C[5a]-3:N[6]-2:	N[6](C[5a,6]N[5a,6]C[5a])2	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(N[6]C[5a,6])	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(N[6]C[5a,6])	N[6](C[5a,6]N[5a,6]C[5a])2{1|B<4>,6|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	120.1615	0.303	8	120.0966	0.208	14	120.0376	0.209	16	118.0334	4.461	392	118.0171	4.555	393	118.0171	4.555	393
914	727	727	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[5a,6]-3:	N[5a,6]-3:C[5a]-3:N[6]-2:	N[5a,6]-3:C[5a]-3:N[6]-2:	N[6](C[5a,6]N[5a,6]C[5a])2	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(N[6]C[5a,6])	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(N[6]C[5a,6])	N[6](C[5a,6]N[5a,6]C[5a])2{1|B<4>,6|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(N[6]C[5a,6]){1|N<3>,2|F<1>,5|C<3>}	120.2310	0.107	2	120.0966	0.208	14	120.0376	0.209	16	118.0334	4.461	392	118.0171	4.555	393	118.0171	4.555	393
914	727	727	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[5a,6]-3:	N[5a,6]-3:C[5a]-3:N[6]-2:	N[5a,6]-3:C[5a]-3:N[6]-2:	N[6](C[5a,6]N[5a,6]C[5a])2	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(N[6]C[5a,6])	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(N[6]C[5a,6])	N[6](C[5a,6]N[5a,6]C[5a])2{1|B<4>,6|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<3>,6|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<3>,6|C<3>}	120.4200	0.311	2	120.0966	0.208	14	120.0376	0.209	16	118.0334	4.461	392	118.0171	4.555	393	118.0171	4.555	393
914	727	727	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[5a,6]-3:	N[5a,6]-3:C[5a]-3:N[6]-2:	N[5a,6]-3:C[5a]-3:N[6]-2:	N[6](C[5a,6]N[5a,6]C[5a])2	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(N[6]C[5a,6])	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(N[6]C[5a,6])	N[6](C[5a,6]N[5a,6]C[5a])2{1|B<4>,6|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(N[6]C[5a,6]){1|N<3>,2|F<1>,5|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(N[6]C[5a,6]){1|N<3>,2|F<1>,5|C<3>}	118.8140	0.000	1	120.0966	0.208	14	120.0376	0.209	16	118.0334	4.461	392	118.0171	4.555	393	118.0171	4.555	393
914	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6,6]	3:3:	3:2:2:	3:4:2:	C[5a,6]-3:C[6,6]-3:	N[5a,6]-3:N[5a]-2:N[6]-2:	C[6,6a]-3:C[6,6]-4:N[6]-2:	N[6](C[5a,6]N[5a,6]N[5a])(C[6,6]C[6,6a]C[6,6])	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(N[6]C[5a,6])	N[6](C[5a,6]N[5a,6]N[5a])(C[6,6]C[6,6a]C[6,6]){1|N<2>,1|O<2>,2|C<4>,3|C<3>}	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6,6]){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(N[6]C[5a,6]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	115.7070	0.000	1	115.7070	0.000	1	115.7070	0.000	1	115.7070	0.000	1	117.7754	1.399	5	113.1772	4.994	144
914	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6,6]	3:3:	3:3:2:	3:2:3:	C[5a,6]-3:C[6,6]-3:	C[5a,6a]-3:N[5a,6]-3:N[6]-2:	N[6,6]-3:N[6]-2:C[6]-3:	N[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6]N[6,6]C[6])	C[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(N[6]C[6,6])	C[6,6](N[6,6]B[6]C[6])(N[6]C[5a,6])(C[6]C[6]H)	N[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6]N[6,6]C[6]){1|B<4>,1|H<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(N[6]C[6,6]){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[6,6](N[6,6]B[6]C[6])(N[6]C[5a,6])(C[6]C[6]H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>,2|F<1>}	118.6540	0.000	1	118.4550	0.079	2	118.4550	0.079	2	118.2925	0.083	4	117.7754	1.399	5	113.1772	4.994	144
914	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6,6]	3:3:	3:3:2:	3:2:3:	C[5a,6]-3:C[6,6]-3:	C[5a,6a]-3:N[5a,6]-3:N[6]-2:	N[6,6]-3:N[6]-2:C[6]-3:	N[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6]N[6,6]C[6])	C[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(N[6]C[6,6])	C[6,6](N[6,6]B[6]C[6])(N[6]C[5a,6])(C[6]C[6]H)	N[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6]N[6,6]C[6]){1|B<4>,1|H<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(N[6]C[6,6]){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[6,6](N[6,6]B[6]C[6])(N[6]C[5a,6])(C[6]C[6]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	118.2560	0.000	1	118.4550	0.079	2	118.4550	0.079	2	118.2925	0.083	4	117.7754	1.399	5	113.1772	4.994	144
914	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6,6]	3:3:	3:3:2:	3:2:3:	C[5a,6]-3:C[6,6]-3:	N[5a,6]-3:C[5a]-3:N[6]-2:	N[6,6]-3:N[6]-2:C[6]-3:	N[6](C[5a,6]N[5a,6]C[5a])(C[6,6]N[6,6]C[6])	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[5a]C[5a,6a]C[6a])(N[6]C[6,6])	C[6,6](N[6,6]B[6]C[6])(N[6]C[5a,6])(C[6]C[6]O)	N[6](C[5a,6]N[5a,6]C[5a])(C[6,6]N[6,6]C[6]){1|B<4>,1|O<2>,5|C<3>}	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[5a]C[5a,6a]C[6a])(N[6]C[6,6]){1|N<3>,2|F<1>,5|C<3>}	C[6,6](N[6,6]B[6]C[6])(N[6]C[5a,6])(C[6]C[6]O){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	118.1300	0.252	2	118.1300	0.063	2	118.1300	0.063	2	118.2925	0.083	4	117.7754	1.399	5	113.1772	4.994	144
914	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:	3:2:2:	2:2:3:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:N[6]-2:	N[6]-2:N[6]-2:N-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]N)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6])	C[6](N[6]C[5a,6])(N[6]C[6])(NHH)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]N){1|N<2>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]){1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[6](N[6]C[5a,6])(N[6]C[6])(NHH){1|C<3>,1|N<2>,1|O<1>}	113.2275	0.509	8	113.2275	0.259	8	113.2275	0.259	8	113.2275	0.259	8	113.0118	4.340	139	113.1772	4.994	144
914	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:	3:2:2:	2:3:1:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:N[6]-2:	N[6]-2:N[6]-3:H-1:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6])	C[6](N[6]C[5a,6])(N[6]C[6]H)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]){1|Cu<4>,1|N<3>,1|S<3>,2|H<1>}	C[6](N[6]C[5a,6])(N[6]C[6]H)(H){1|C<3>,1|N<2>,1|S<3>}	112.9300	0.000	1	111.8397	1.662	3	111.8397	1.662	3	111.8397	1.662	3	113.0118	4.340	139	113.1772	4.994	144
914	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:	3:2:2:	2:3:1:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:N[6]-2:	N[6]-2:N[6]-3:H-1:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6])	C[6](N[6]C[5a,6])(N[6]C[6]H)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]){1|N<3>,1|S<1>,3|H<1>}	C[6](N[6]C[5a,6])(N[6]C[6]H)(H){1|C<3>,1|N<2>,1|S<1>}	111.2945	1.241	2	111.8397	1.662	3	111.8397	1.662	3	111.8397	1.662	3	113.0118	4.340	139	113.1772	4.994	144
914	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:	3:2:2:	2:3:3:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:N[6]-2:	N[6]-2:N[6]-3:N-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]N)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6])	C[6](N[6]C[5a,6])(N[6]C[6]H)(NHH)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]N){1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]){1|Ru<9>,1|H<1>,1|S<2>,2|N<3>}	C[6](N[6]C[5a,6])(N[6]C[6]H)(NHH){1|C<3>,1|N<2>,1|S<2>}	112.1970	0.000	1	112.1970	0.000	1	113.1870	0.773	3	113.4214	0.493	5	113.0118	4.340	139	113.1772	4.994	144
914	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:	3:2:2:	2:3:3:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:N[6]-2:	N[6]-2:N[6]-3:N-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]N)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6])	C[6](N[6]C[5a,6])(N[6]C[6]O)(NHH)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]N){1|N<3>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]){2|H<1>,3|N<3>}	C[6](N[6]C[5a,6])(N[6]C[6]O)(NHH){1|C<3>,1|N<2>,1|N<3>}	113.4860	0.000	1	113.4860	0.000	1	113.1870	0.773	3	113.4214	0.493	5	113.0118	4.340	139	113.1772	4.994	144
914	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:	3:2:2:	2:3:3:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:N[6]-2:	N[6]-2:N[6]-3:N-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]N)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]O[5a])(N[6]C[6])	C[6](N[6]C[5a,6])(N[6]C[6]O)(NHH)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]N){1|C<3>,1|N<2>,1|O<1>,1|O<2>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]O[5a])(N[6]C[6]){3|N<3>}	C[6](N[6]C[5a,6])(N[6]C[6]O)(NHH){1|C<3>,1|N<2>,1|N<3>}	113.8780	0.000	1	113.8780	0.000	1	113.1870	0.773	3	113.4214	0.493	5	113.0118	4.340	139	113.1772	4.994	144
914	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:	3:2:2:	2:3:3:	C[5a,6]-3:C[6]-3:	N[5a,6]-3:N[5a]-2:N[6]-2:	N[6]-2:N[6]-3:N-3:	N[6](C[5a,6]N[5a,6]N[5a])(C[6]N[6]N)	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6])	C[6](N[6]C[5a,6])(N[6]C[6]H)(NHH)	N[6](C[5a,6]N[5a,6]N[5a])(C[6]N[6]N){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]){1|C<3>,2|C<4>,2|N<3>}	C[6](N[6]C[5a,6])(N[6]C[6]H)(NHH){1|N<2>,1|N<3>,2|C<4>}	113.7730	0.122	2	113.7730	0.015	2	113.7730	0.015	2	113.4214	0.493	5	113.0118	4.340	139	113.1772	4.994	144
914	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:	3:2:2:	2:3:4:	C[5a,6]-3:C[6]-3:	N[5a,6]-3:N[5a]-2:N[6]-2:	N[6]-2:C[6]-3:C-4:	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)	C[5a,6](N[5a,6]C[5a,6]C[6])(N[5a]N[5a,6])(N[6]C[6])	C[6](N[6]C[5a,6])(C[6]C[6]H)(CH3)	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C){1|H<1>,1|N<3>,2|C<3>}	C[5a,6](N[5a,6]C[5a,6]C[6])(N[5a]N[5a,6])(N[6]C[6]){1|N<2>,2|C<3>,2|C<4>}	C[6](N[6]C[5a,6])(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|N<3>}	114.7935	0.503	2	114.7935	0.253	2	116.5103	8.969	3	116.3694	1.045	25	113.0118	4.340	139	113.1772	4.994	144
914	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:	3:2:2:	2:3:4:	C[5a,6]-3:C[6]-3:	N[5a,6]-3:N[5a]-2:N[6]-2:	N[6]-2:C[6]-3:C-4:	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6])	C[6](N[6]C[5a,6])(C[6]C[6]H)(CH3)	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C){1|C<2>,1|C<3>,1|H<1>,1|N<2>}	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[5a,6])(C[6]C[6]H)(CH3){1|N<2>,1|N<3>}	119.9440	0.000	1	119.9440	0.000	1	116.5103	8.969	3	116.3694	1.045	25	113.0118	4.340	139	113.1772	4.994	144
914	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:	3:2:2:	2:3:4:	C[5a,6]-3:C[6]-3:	N[5a,6]-3:O[5a]-2:N[6]-2:	N[6]-2:C[6]-3:C-4:	N[6](C[5a,6]N[5a,6]O[5a])(C[6]C[6]C)	C[5a,6](N[5a,6]C[5a]C[6])(O[5a]C[5a])(N[6]C[6])	C[6](N[6]C[5a,6])(C[6]C[6]H)(CH3)	N[6](C[5a,6]N[5a,6]O[5a])(C[6]C[6]C){1|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(O[5a]C[5a])(N[6]C[6]){1|H<1>,2|C<3>,2|C<4>}	C[6](N[6]C[5a,6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|O<2>}	114.3430	0.000	1	114.3430	0.000	1	114.3430	0.000	1	116.3694	1.045	25	113.0118	4.340	139	113.1772	4.994	144
914	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:	3:2:2:	2:3:4:	C[5a,6]-3:C[6]-3:	N[5a,6]-3:S[5a]-2:N[6]-2:	N[6]-2:C[6]-3:C-4:	N[6](C[5a,6]N[5a,6]S[5a])(C[6]C[6]C)	C[5a,6](N[5a,6]C[5a]C[6])(S[5a]C[5a])(N[6]C[6])	C[6](N[6]C[5a,6])(C[6]C[6]C)(CH3)	N[6](C[5a,6]N[5a,6]S[5a])(C[6]C[6]C){1|C<4>,3|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(S[5a]C[5a])(N[6]C[6]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](N[6]C[5a,6])(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	116.4457	0.377	21	116.4457	0.142	21	116.4457	0.142	21	116.3694	1.045	25	113.0118	4.340	139	113.1772	4.994	144
914	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:	3:2:2:	3:2:3:	C[5a,6]-3:C[6]-3:	N[5a,6]-3:N[5a]-2:N[6]-2:	C[6a]-3:N[6]-2:C[6]-3:	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6a]C[6])	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6])	C[6](C[6a]C[6a]2)(N[6]C[5a,6])(C[6]C[6]C)	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6a]C[6]){1|C<2>,1|C<4>,1|N<2>,3|C<3>}	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[5a,6])(C[6]C[6]C){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	118.7860	0.000	1	118.7860	0.000	1	118.7860	0.000	1	117.5460	3.075	2	113.0118	4.340	139	113.1772	4.994	144
914	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:	3:2:2:	3:2:3:	C[5a,6]-3:C[6]-3:	N[5a,6]-3:N[5a]-2:N[6]-2:	N[6]-3:N[6]-2:N-3:	N[6](C[5a,6]N[5a,6]N[5a])(C[6]N[6]N)	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(N[6]C[6])	C[6](N[6]C[6a]C[6])(N[6]C[5a,6])(NC[6a]H)	N[6](C[5a,6]N[5a,6]N[5a])(C[6]N[6]N){4|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(N[6]C[6]){1|N<2>,2|C<3>,2|N<3>}	C[6](N[6]C[6a]C[6])(N[6]C[5a,6])(NC[6a]H){1|N<3>,2|C<3>,2|N<2>}	116.3060	0.000	1	116.3060	0.000	1	116.3060	0.000	1	117.5460	3.075	2	113.0118	4.340	139	113.1772	4.994	144
914	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:	3:3:2:	2:2:2:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-2:	N[6]-2:S[6]-2:C-2:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]S[6]C)	C[5a,6](C[5a,6]C[5a]S[6])(N[5a]N[5a]C)(N[6]C[6])	C[6](N[6]C[5a,6])(S[6]S[6])(CN)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]S[6]C){1|C<3>,1|C<4>,1|N<2>,1|S<2>}	C[5a,6](C[5a,6]C[5a]S[6])(N[5a]N[5a]C)(N[6]C[6]){1|C<2>,1|C<4>,1|S<2>}	C[6](N[6]C[5a,6])(S[6]S[6])(CN){1|C<3>,1|N<3>}	117.2090	0.000	1	117.2090	0.000	1	117.2090	0.000	1	117.2090	0.000	1	113.0118	4.340	139	113.1772	4.994	144
914	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:	3:3:2:	2:2:3:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-2:	N[6]-2:N[6]-2:N-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]N)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C[5])(N[6]C[6])	C[6](N[6]C[5a,6])(N[6]C[6])(NCH)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]N){1|C<4>,1|N<2>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C[5])(N[6]C[6]){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[6](N[6]C[5a,6])(N[6]C[6])(NCH){1|C<3>,1|N<3>,1|O<1>}	111.5590	0.000	1	111.5590	0.000	1	111.6563	0.011	3	111.6563	0.011	3	113.0118	4.340	139	113.1772	4.994	144
914	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:	3:3:2:	2:2:3:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-2:	N[6]-2:N[6]-2:N-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]N)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C[5])(N[6]C[6])	C[6](N[6]C[5a,6])(N[6]C[6])(NHH)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]N){1|C<4>,1|N<2>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C[5])(N[6]C[6]){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[6](N[6]C[5a,6])(N[6]C[6])(NHH){1|C<3>,1|N<3>,1|O<1>}	111.7050	0.091	2	111.7050	0.008	2	111.6563	0.011	3	111.6563	0.011	3	113.0118	4.340	139	113.1772	4.994	144
914	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:	3:3:2:	2:3:1:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-2:	N[6]-2:N[6]-3:H-1:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(N[6]C[6])	C[6](N[6]C[5a,6])(N[6]C[6]C)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H){1|N<2>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(N[6]C[6]){1|N<3>,1|S<1>,2|H<1>}	C[6](N[6]C[5a,6])(N[6]C[6]C)(H){1|C<3>,1|N<3>,1|S<1>}	111.8520	0.000	1	111.8520	0.000	1	111.7154	0.450	76	111.7154	0.450	76	113.0118	4.340	139	113.1772	4.994	144
914	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:	3:3:2:	2:3:1:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-2:	N[6]-2:N[6]-3:H-1:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(N[6]C[6])	C[6](N[6]C[5a,6])(N[6]C[6]H)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(N[6]C[6]){1|N<3>,1|S<1>,2|H<1>}	C[6](N[6]C[5a,6])(N[6]C[6]H)(H){1|C<3>,1|N<3>,1|S<1>}	111.1430	0.000	1	111.1430	0.000	1	111.7154	0.450	76	111.7154	0.450	76	113.0118	4.340	139	113.1772	4.994	144
914	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:	3:3:2:	2:3:1:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-2:	N[6]-2:N[6]-3:H-1:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6])	C[6](N[6]C[5a,6])(N[6]C[6]C)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H){1|N<2>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]){2|H<1>,2|N<3>}	C[6](N[6]C[5a,6])(N[6]C[6]C)(H){1|C<3>,2|N<3>}	112.2703	0.192	3	112.2703	0.037	3	111.7154	0.450	76	111.7154	0.450	76	113.0118	4.340	139	113.1772	4.994	144
914	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:	3:3:2:	2:3:1:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-2:	N[6]-2:N[6]-3:H-1:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6])	C[6](N[6]C[5a,6])(N[6]C[6]H)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]){2|H<1>,2|N<3>}	C[6](N[6]C[5a,6])(N[6]C[6]H)(H){1|C<3>,2|N<3>}	111.8273	0.259	11	111.8251	0.061	12	111.7154	0.450	76	111.7154	0.450	76	113.0118	4.340	139	113.1772	4.994	144
914	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:	3:3:2:	2:3:1:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-2:	N[6]-2:N[6]-3:H-1:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6])	C[6](N[6]C[5a,6])(N[6]C[6]H)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[5a,6])(N[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>}	111.8010	0.000	1	111.8251	0.061	12	111.7154	0.450	76	111.7154	0.450	76	113.0118	4.340	139	113.1772	4.994	144
914	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:	3:3:2:	2:3:1:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-2:	N[6]-2:N[6]-3:H-1:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6])	C[6](N[6]C[5a,6])(N[6]C[6]Rh)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H){1|Rh<8>,1|C<4>,1|N<2>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]){1|C<3>,1|N<3>,2|H<1>}	C[6](N[6]C[5a,6])(N[6]C[6]Rh)(H){1|N<3>,2|C<3>}	112.3170	0.000	1	112.3170	0.000	1	111.7154	0.450	76	111.7154	0.450	76	113.0118	4.340	139	113.1772	4.994	144
914	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:	3:3:2:	2:3:1:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-2:	N[6]-2:N[6]-3:H-1:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C[5])(N[6]C[6])	C[6](N[6]C[5a,6])(N[6]C[6]H)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C[5])(N[6]C[6]){1|C<4>,1|O<2>,2|N<3>,3|H<1>}	C[6](N[6]C[5a,6])(N[6]C[6]H)(H){1|C<3>,2|N<3>}	111.9579	0.545	7	111.9579	0.297	7	111.7154	0.450	76	111.7154	0.450	76	113.0118	4.340	139	113.1772	4.994	144
914	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:	3:3:2:	2:3:1:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-2:	N[6]-2:N[6]-3:H-1:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(N[6]C[6])	C[6](N[6]C[5a,6])(N[6]C[6]H)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]){1|N<1>,1|N<3>,2|H<1>}	C[6](N[6]C[5a,6])(N[6]C[6]H)(H){1|C<3>,1|N<1>,1|N<3>}	110.3860	0.000	1	111.7135	0.494	45	111.7154	0.450	76	111.7154	0.450	76	113.0118	4.340	139	113.1772	4.994	144
914	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:	3:3:2:	2:3:1:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-2:	N[6]-2:N[6]-3:H-1:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(N[6]C[6])	C[6](N[6]C[5a,6])(N[6]C[6]H)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]){1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[5a,6])(N[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>}	111.3090	0.000	1	111.7135	0.494	45	111.7154	0.450	76	111.7154	0.450	76	113.0118	4.340	139	113.1772	4.994	144
914	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:	3:3:2:	2:3:1:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-2:	N[6]-2:N[6]-3:H-1:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(N[6]C[6])	C[6](N[6]C[5a,6])(N[6]C[6]H)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]){1|N<3>,1|S<1>,2|H<1>}	C[6](N[6]C[5a,6])(N[6]C[6]H)(H){1|C<3>,1|N<3>,1|S<1>}	112.0660	0.007	2	111.7135	0.494	45	111.7154	0.450	76	111.7154	0.450	76	113.0118	4.340	139	113.1772	4.994	144
914	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:	3:3:2:	2:3:1:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-2:	N[6]-2:N[6]-3:H-1:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(N[6]C[6])	C[6](N[6]C[5a,6])(N[6]C[6]H)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]){2|H<1>,2|N<3>}	C[6](N[6]C[5a,6])(N[6]C[6]H)(H){1|C<3>,2|N<3>}	111.7477	0.678	28	111.7135	0.494	45	111.7154	0.450	76	111.7154	0.450	76	113.0118	4.340	139	113.1772	4.994	144
914	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:	3:3:2:	2:3:1:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-2:	N[6]-2:N[6]-3:H-1:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(N[6]C[6])	C[6](N[6]C[5a,6])(N[6]C[6]H)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]){1|N<3>,1|S<1>,3|H<1>}	C[6](N[6]C[5a,6])(N[6]C[6]H)(H){1|C<3>,1|N<3>,1|S<1>}	111.6700	0.000	1	111.7135	0.494	45	111.7154	0.450	76	111.7154	0.450	76	113.0118	4.340	139	113.1772	4.994	144
914	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:	3:3:2:	2:3:1:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-2:	N[6]-2:N[6]-3:H-1:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(N[6]C[6])	C[6](N[6]C[5a,6])(N[6]C[6]H)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]){2|N<3>,3|H<1>}	C[6](N[6]C[5a,6])(N[6]C[6]H)(H){1|C<3>,2|N<3>}	111.7228	0.805	12	111.7135	0.494	45	111.7154	0.450	76	111.7154	0.450	76	113.0118	4.340	139	113.1772	4.994	144
914	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:	3:3:2:	2:3:1:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-2:	N[6]-2:N[6]-3:H-1:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]Pt)(N[6]C[6])	C[6](N[6]C[5a,6])(N[6]C[6]H)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H){1|Pt<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]Pt)(N[6]C[6]){1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[5a,6])(N[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>}	112.5670	0.000	1	112.5670	0.000	1	111.7154	0.450	76	111.7154	0.450	76	113.0118	4.340	139	113.1772	4.994	144
914	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:	3:3:2:	2:3:1:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-2:	N[6]-2:N[6]-3:H-1:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a]C)(N[6]C[6])	C[6](N[6]C[5a,6])(N[6]C[6]C)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H){1|C<3>,2|C<4>,2|N<2>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a]C)(N[6]C[6]){1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[5a,6])(N[6]C[6]C)(H){1|C<3>,1|N<2>,1|N<3>}	110.5932	0.268	5	110.5932	0.072	5	111.7154	0.450	76	111.7154	0.450	76	113.0118	4.340	139	113.1772	4.994	144
914	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:	3:3:2:	2:3:3:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-2:	N[6]-2:N[6]-3:N-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]N)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6])	C[6](N[6]C[5a,6])(N[6]C[6]H)(NCH)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]N){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]){2|H<1>,3|N<3>}	C[6](N[6]C[5a,6])(N[6]C[6]H)(NCH){1|C<3>,2|N<3>}	112.5320	0.000	1	112.5320	0.000	1	112.5498	0.275	6	112.5498	0.275	6	113.0118	4.340	139	113.1772	4.994	144
914	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:	3:3:2:	2:3:3:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-2:	N[6]-2:N[6]-3:N-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]N)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6])	C[6](N[6]C[5a,6])(N[6]C[6]H)(NHH)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]N){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]){1|H<1>,1|O<2>,2|N<3>}	C[6](N[6]C[5a,6])(N[6]C[6]H)(NHH){1|C<3>,1|N<3>,1|O<2>}	112.5975	0.145	2	112.5975	0.021	2	112.5498	0.275	6	112.5498	0.275	6	113.0118	4.340	139	113.1772	4.994	144
914	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:	3:3:2:	2:3:3:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-2:	N[6]-2:N[6]-3:N-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]N)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(N[6]C[6])	C[6](N[6]C[5a,6])(N[6]C[6]H)(NHH)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]N){1|N<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]){1|H<1>,3|N<3>}	C[6](N[6]C[5a,6])(N[6]C[6]H)(NHH){1|C<3>,2|N<3>}	112.0565	0.185	2	112.0565	0.034	2	112.5498	0.275	6	112.5498	0.275	6	113.0118	4.340	139	113.1772	4.994	144
914	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:	3:3:2:	2:3:3:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-2:	N[6]-2:N[6]-3:N-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]N)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a]H)(N[6]C[6])	C[6](N[6]C[5a,6])(N[6]C[6]O)(NHH)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]N){1|C<3>,1|H<1>,1|O<2>,2|N<2>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a]H)(N[6]C[6]){3|N<3>}	C[6](N[6]C[5a,6])(N[6]C[6]O)(NHH){1|C<3>,2|N<3>}	113.4590	0.000	1	113.4590	0.000	1	112.5498	0.275	6	112.5498	0.275	6	113.0118	4.340	139	113.1772	4.994	144
914	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:	3:3:2:	2:3:4:	C[5a,6]-3:C[6]-3:	N[5a,6]-3:N[5a,6]-3:N[6]-2:	N[6]-2:C[6]-3:C-4:	N[6](C[5a,6]N[5a,6]2)(C[6]C[6]C)	C[5a,6](N[5a,6]C[5a,6]C[6])(N[5a,6]N[5a]C[6])(N[6]C[6])	C[6](N[6]C[5a,6])(C[6]C[6]C)(CH3)	N[6](C[5a,6]N[5a,6]2)(C[6]C[6]C){1|N<2>,2|C<3>,2|C<4>}	C[5a,6](N[5a,6]C[5a,6]C[6])(N[5a,6]N[5a]C[6])(N[6]C[6]){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6](N[6]C[5a,6])(C[6]C[6]C)(CH3){1|C<4>,2|N<3>}	114.2600	0.000	1	114.2600	0.000	1	114.2600	0.000	1	114.2600	0.000	1	113.0118	4.340	139	113.1772	4.994	144
914	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:	3:3:2:	3:2:1:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-2:	N[6,6]-3:N[6]-2:H-1:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6,6]H)	C[5a,6](C[5a,6]C[6,6]N[5a])(N[5a]C[5a]H)(N[6]C[6])	C[6](N[6,6]C[6,6]C[6])(N[6]C[5a,6])(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6,6]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6](C[5a,6]C[6,6]N[5a])(N[5a]C[5a]H)(N[6]C[6]){2|H<1>,2|N<3>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[5a,6])(H){1|C<3>,1|O<2>,2|C<4>,2|N<3>}	112.5260	0.000	1	112.5260	0.000	1	112.5260	0.000	1	111.6825	1.423	2	113.0118	4.340	139	113.1772	4.994	144
914	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:	3:3:2:	3:2:1:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-2:	N[6]-3:N[6]-2:H-1:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]N[5a]C)(N[6]C[6])	C[6](N[6]C[5,6]C)(N[6]C[5a,6])(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H){1|C<3>,1|N<2>,3|C<4>}	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]N[5a]C)(N[6]C[6]){1|S<2>,2|H<1>,2|N<3>}	C[6](N[6]C[5,6]C)(N[6]C[5a,6])(H){1|C<3>,1|S<2>,2|N<3>}	110.8390	0.000	1	110.8390	0.000	1	110.8390	0.000	1	111.6825	1.423	2	113.0118	4.340	139	113.1772	4.994	144
914	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:	3:3:2:	3:2:2:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-2:	N[6]-3:N[6]-2:C-2:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]C)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(N[6]C[6])	C[6](N[6]C[5a]C[6])(N[6]C[5a,6])(CN)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]C){1|N<2>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(N[6]C[6]){1|C<4>,1|N<3>,1|S<2>,2|C<2>}	C[6](N[6]C[5a]C[6])(N[6]C[5a,6])(CN){1|C<2>,1|S<2>,2|C<3>,2|N<3>}	111.6150	0.000	1	111.6150	0.000	1	111.6150	0.000	1	112.0383	0.151	3	113.0118	4.340	139	113.1772	4.994	144
914	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:	3:3:2:	3:2:2:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-2:	N[6]-3:N[6]-2:O-2:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]O)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6])	C[6](N[6]C[6a]C[6])(N[6]C[5a,6])(OC)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]O){1|N<2>,4|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]){1|N<2>,1|N<3>,1|O<2>,1|S<2>,2|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[5a,6])(OC){1|N<2>,1|N<3>,3|C<3>}	112.2500	0.184	2	112.2500	0.034	2	112.2500	0.034	2	112.0383	0.151	3	113.0118	4.340	139	113.1772	4.994	144
914	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:	3:3:2:	3:2:3:	C[5a,6]-3:C[6]-3:	N[5a,6]-3:N[5a,6]-3:N[6]-2:	C[6a]-3:N[6]-2:C[6]-3:	N[6](C[5a,6]N[5a,6]2)(C[6]C[6a]C[6])	C[5a,6](N[5a,6]C[5a,6]C[6])(N[5a,6]N[5a]C[6])(N[6]C[6])	C[6](C[6a]C[6a]2)(N[6]C[5a,6])(C[6]C[6]H)	N[6](C[5a,6]N[5a,6]2)(C[6]C[6a]C[6]){1|H<1>,1|N<2>,5|C<3>}	C[5a,6](N[5a,6]C[5a,6]C[6])(N[5a,6]N[5a]C[6])(N[6]C[6]){1|C<4>,1|N<2>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[5a,6])(C[6]C[6]H){2|H<1>,2|N<3>,3|C<3>}	116.4905	0.565	2	116.4905	0.319	2	116.4905	0.319	2	116.4905	0.319	2	113.0118	4.340	139	113.1772	4.994	144
914	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:	3:3:2:	3:2:4:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-2:	C[6a]-3:N[6]-2:C[6]-4:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6])	C[6](C[6a]C[6a]2)(N[6]C[5a,6])(C[6]C[6]HH)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[5a,6])(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	115.5530	0.000	1	115.5530	0.000	1	115.5530	0.000	1	115.6480	0.018	2	113.0118	4.340	139	113.1772	4.994	144
914	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:	3:3:2:	3:2:4:	C[5a,6]-3:C[6]-3:	N[5a,6]-3:N[5a]-3:N[6]-2:	C[6,6a]-3:N[6]-2:C-4:	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]C)	C[5a,6](N[5a,6]C[6,6a]C[5a])(N[5a]N[5a]C)(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6])(CH3)	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]C){1|C<4>,1|N<2>,3|C<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(N[5a]N[5a]C)(N[6]C[6]){1|C<4>,1|N<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6])(CH3){1|H<1>,2|C<3>,2|N<3>}	115.7430	0.000	1	115.7430	0.000	1	115.7430	0.000	1	115.6480	0.018	2	113.0118	4.340	139	113.1772	4.994	144
914	727	813	6:SP2_SP2_SP2	N[6]	C[5a,6]	N[5a,6]	3:3:	3:3:2:	3:2:2:	C[5a,6]-3:N[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:N[6]-2:	C[5a,6]-3:N[6]-2:N[5a]-2:	N[6](C[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]N[5a])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(N[6]N[5a,6])	N[5a,6](C[5a,6]N[5a]N[6])(N[6]C[5a,6])(N[5a]N[5a])	N[6](C[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]N[5a]){1|N<3>,2|C<3>,3|N<2>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(N[6]N[5a,6]){1|N<2>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]N[5a]N[6])(N[6]C[5a,6])(N[5a]N[5a]){2|C<3>}	110.1670	0.000	1	110.1670	0.000	1	110.1670	0.000	1	110.1670	0.000	1	111.1520	1.940	2	111.1520	1.940	2
914	727	813	6:SP2_SP2_SP2	N[6]	C[5a,6]	N[5a,6]	3:3:	3:3:2:	3:4:2:	C[5a,6]-3:N[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:N[6]-2:	C[5a,6a]-3:B[5a,6]-4:N[6]-2:	N[6](C[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6a]B[5a,6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(N[6]N[5a,6])	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a,6]O[5a]N[6]F)(N[6]C[5a,6])	N[6](C[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6a]B[5a,6]){1|F<1>,1|O<2>,2|N<3>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(N[6]N[5a,6]){1|B<4>,1|C<4>,1|H<1>,1|S<4>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a,6]O[5a]N[6]F)(N[6]C[5a,6]){1|S<4>,5|C<3>}	112.1370	0.000	1	112.1370	0.000	1	112.1370	0.000	1	112.1370	0.000	1	111.1520	1.940	2	111.1520	1.940	2
914	727	818	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[5,6]	3:3:	3:3:2:	3:2:2:	C[5a,6]-3:C[5,6]-3:	C[5a,6a]-3:N[5a,6]-3:N[6]-2:	N[5,6]-3:N[6]-2:S[5]-2:	N[6](C[5a,6]C[5a,6a]N[5a,6])(C[5,6]N[5,6]S[5])	C[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(N[6]C[5,6])	C[5,6](N[5,6]B[6]C[5])(N[6]C[5a,6])(S[5]C[5])	N[6](C[5a,6]C[5a,6a]N[5a,6])(C[5,6]N[5,6]S[5]){1|B<4>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(N[6]C[5,6]){1|H<1>,1|N<3>,1|S<2>,2|F<1>,3|C<3>}	C[5,6](N[5,6]B[6]C[5])(N[6]C[5a,6])(S[5]C[5]){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	114.7415	0.200	2	114.7415	0.040	2	115.0323	0.274	3	115.0323	0.274	3	115.5602	0.673	5	115.5602	0.673	5
914	727	818	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[5,6]	3:3:	3:3:2:	3:2:2:	C[5a,6]-3:C[5,6]-3:	C[5a,6a]-3:N[5a,6]-3:N[6]-2:	N[5,6]-3:N[6]-2:S[5]-2:	N[6](C[5a,6]C[5a,6a]N[5a,6])(C[5,6]N[5,6]S[5])	C[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(N[6]C[5,6])	C[5,6](N[5,6]C[5,6a]B[6])(N[6]C[5a,6])(S[5]C[5,6a])	N[6](C[5a,6]C[5a,6a]N[5a,6])(C[5,6]N[5,6]S[5]){1|B<4>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(N[6]C[5,6]){1|H<1>,1|N<3>,1|S<2>,2|F<1>,3|C<3>}	C[5,6](N[5,6]C[5,6a]B[6])(N[6]C[5a,6])(S[5]C[5,6a]){1|N<3>,2|F<1>,3|C<3>}	115.6140	0.000	1	115.6140	0.000	1	115.0323	0.274	3	115.0323	0.274	3	115.5602	0.673	5	115.5602	0.673	5
914	727	818	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[5,6]	3:3:	3:3:2:	3:2:4:	C[5a,6]-3:C[5,6]-3:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[5,6,6]-3:N[6]-2:C[5]-4:	N[6](C[5a,6]N[5a,6,6]C[5a,6a])(C[5,6]N[5,6,6]C[5])	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5,6])	C[5,6](N[5,6,6]B[3x6]C[5,6])(N[6]C[5a,6])(C[5]C[5]CC)	N[6](C[5a,6]N[5a,6,6]C[5a,6a])(C[5,6]N[5,6,6]C[5]){1|B<4>,3|C<4>,4|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5,6]){1|Cl<1>,1|C<4>,1|F<1>,1|N<2>,2|C<3>,2|N<3>}	C[5,6](N[5,6,6]B[3x6]C[5,6])(N[6]C[5a,6])(C[5]C[5]CC){1|Cl<1>,1|C<3>,1|N<2>,2|C<4>,2|N<3>}	116.3520	0.232	2	116.3520	0.054	2	116.3520	0.054	2	116.3520	0.054	2	115.5602	0.673	5	115.5602	0.673	5
914	727	856	6:SP2_SP2_SP2	N[6]	C[5a,6]	N[6]	3:3:	3:2:2:	2:3:1:	C[5a,6]-3:N[6]-3:	N[5a,6]-3:N[5a]-2:N[6]-2:	N[6]-2:C[6]-3:O-1:	N[6](C[5a,6]N[5a,6]N[5a])(N[6]C[6]O)	C[5a,6](N[5a,6]C[5a]N[6])(N[5a]N[5a])(N[6]N[6])	N[6](N[6]C[5a,6])(C[6]N[6]N)(O)	N[6](C[5a,6]N[5a,6]N[5a])(N[6]C[6]O){1|C<3>,1|N<3>,2|N<2>}	C[5a,6](N[5a,6]C[5a]N[6])(N[5a]N[5a])(N[6]N[6]){1|C<3>,1|N<3>,1|O<1>}	N[6](N[6]C[5a,6])(C[6]N[6]N)(O){1|N<2>,1|N<3>}	114.3730	0.000	1	114.3730	0.000	1	114.3730	0.000	1	114.3730	0.000	1	114.3730	0.000	1	114.3730	0.000	1
914	727	914	6:SP2_SP2_SP2	N[6]	C[5a,6]	N[6]	3:2:	3:2:2:	2:3:	C[5a,6]-3:N[6]-2:	N[5a,6]-3:N[5a]-2:N[6]-2:	N[6]-2:C[6]-3:	N[6](C[5a,6]N[5a,6]N[5a])(N[6]C[6])	C[5a,6](N[5a,6]C[5a]N[6])(N[5a]N[5a])(N[6]N[6])	N[6](N[6]C[5a,6])(C[6]N[6]H)	N[6](C[5a,6]N[5a,6]N[5a])(N[6]C[6]){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6](N[5a,6]C[5a]N[6])(N[5a]N[5a])(N[6]N[6]){1|C<3>,1|H<1>,1|N<2>}	N[6](N[6]C[5a,6])(C[6]N[6]H){1|N<2>,1|N<3>}	116.8560	0.000	1	116.8560	0.000	1	116.9560	0.020	2	116.9560	0.020	2	117.0178	0.078	4	117.0178	0.078	4
914	727	914	6:SP2_SP2_SP2	N[6]	C[5a,6]	N[6]	3:2:	3:2:2:	2:3:	C[5a,6]-3:N[6]-2:	N[5a,6]-3:N[5a]-2:N[6]-2:	N[6]-2:C[6]-3:	N[6](C[5a,6]N[5a,6]N[5a])(N[6]C[6])	C[5a,6](N[5a,6]C[5a]N[6])(N[5a]N[5a])(N[6]N[6])	N[6](N[6]C[5a,6])(C[6]N[6]N)	N[6](C[5a,6]N[5a,6]N[5a])(N[6]C[6]){1|C<3>,1|N<3>,2|N<2>}	C[5a,6](N[5a,6]C[5a]N[6])(N[5a]N[5a])(N[6]N[6]){1|C<3>,1|H<1>,1|N<2>}	N[6](N[6]C[5a,6])(C[6]N[6]N){1|N<2>,1|N<3>}	117.0560	0.000	1	117.0560	0.000	1	116.9560	0.020	2	116.9560	0.020	2	117.0178	0.078	4	117.0178	0.078	4
914	727	914	6:SP2_SP2_SP2	N[6]	C[5a,6]	N[6]	3:2:	3:2:2:	3:2:	C[5a,6]-3:N[6]-2:	N[5a,6]-3:N[5a]-2:N[6]-2:	C[6,6a]-3:N[6]-2:	N[6](C[5a,6]N[5a,6]N[5a])(N[6]C[6,6a])	C[5a,6](N[5a,6]C[6,6a]N[5a])(N[5a]C[5a])(N[6]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6])	N[6](C[5a,6]N[5a,6]N[5a])(N[6]C[6,6a]){1|N<2>,3|C<3>}	C[5a,6](N[5a,6]C[6,6a]N[5a])(N[5a]C[5a])(N[6]N[6]){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	117.3940	0.000	1	117.3940	0.000	1	117.3940	0.000	1	117.3940	0.000	1	117.0178	0.078	4	117.0178	0.078	4
914	727	914	6:SP2_SP2_SP2	N[6]	C[5a,6]	N[6]	3:2:	3:3:2:	2:3:	C[5a,6]-3:N[6]-2:	C[5a,6]-3:C[5a]-3:N[6]-2:	N[6]-2:N[6]-3:	N[6](C[5a,6]C[5a,6]C[5a])(N[6]N[6])	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]O[5a])(N[6]N[6])	N[6](N[6]C[5a,6])(N[6]C[6]C)	N[6](C[5a,6]C[5a,6]C[5a])(N[6]N[6]){1|O<2>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]O[5a])(N[6]N[6]){1|H<1>,1|N<3>,4|C<3>}	N[6](N[6]C[5a,6])(N[6]C[6]C){1|H<1>,3|C<3>}	116.7650	0.000	1	116.7650	0.000	1	116.7650	0.000	1	116.7650	0.000	1	117.0178	0.078	4	117.0178	0.078	4
914	727	961	6:SP2_SP2_SP3	N[6]	C[5a,6]	S[6]	3:4:	3:3:2:	3:2:1:1:	C[5a,6]-3:S[6]-4:	C[5a,6a]-3:C[5a,6]-3:N[6]-2:	C[6,6a]-3:N[6]-2:O-1:O-1:	N[6](C[5a,6]C[5a,6a]C[5a,6])(S[6]C[6,6a]OO)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(N[6]S[6])	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6])(O)2	N[6](C[5a,6]C[5a,6a]C[5a,6])(S[6]C[6,6a]OO){5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(N[6]S[6]){1|H<1>,2|O<1>,5|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6])(O)2{1|H<1>,4|C<3>}	120.6640	0.000	1	120.6640	0.000	1	120.6640	0.000	1	120.6640	0.000	1	120.6640	0.000	1	120.6640	0.000	1
914	762	762	6:SP2_SP2_SP2	N[6]	C[3x6]	C[6]	3:3:	4:4:2:	2:3:3:	C[3x6]-3:C[6]-3:	C[3x6]-4:C[6,6]-4:N[6]-2:	N[6]-2:C[6]-3:C-3:	N[6](C[3x6]C[3x6]C[6,6])(C[6]C[6]C)	C[3x6](C[3x6]C[4,6,6]O[6]C)(C[6,6]C[4,6,6]HH)(N[6]C[6])	C[6](N[6]C[3x6])(C[6]O[6]O)(CCC)	N[6](C[3x6]C[3x6]C[6,6])(C[6]C[6]C){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[3x6](C[3x6]C[4,6,6]O[6]C)(C[6,6]C[4,6,6]HH)(N[6]C[6]){2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[3x6])(C[6]O[6]O)(CCC){2|C<4>}	117.0130	0.000	1	117.0130	0.000	1	117.0130	0.000	1	117.0130	0.000	1	117.0130	0.000	1	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6,6]	3:3:	3:2:3:	3:2:3:	C[6,6]-3:C[6,6]-3:	N[6,6]-3:N[6]-2:C[6]-3:	N[6,6]-3:N[6]-2:C[6]-3:	N[6](C[6,6]N[6,6]C[6])2	C[6,6](N[6,6]C[6,6a]B[6])(N[6]C[6,6])(C[6]C[6]H)	C[6,6](N[6,6]C[6,6a]B[6])(N[6]C[6,6])(C[6]C[6]H)	N[6](C[6,6]N[6,6]C[6])2{1|B<4>,2|H<1>,4|C<3>}	C[6,6](N[6,6]C[6,6a]B[6])(N[6]C[6,6])(C[6]C[6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6,6](N[6,6]C[6,6a]B[6])(N[6]C[6,6])(C[6]C[6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	121.7460	0.000	1	121.7460	0.000	1	120.0045	6.066	2	120.0045	6.066	2	119.9070	3.061	3	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6,6]	3:3:	3:2:3:	3:2:3:	C[6,6]-3:C[6,6]-3:	N[6,6]-3:N[6]-2:C[6]-3:	N[6,6]-3:N[6]-2:C[6]-3:	N[6](C[6,6]N[6,6]C[6])2	C[6,6](N[6,6]C[6]2)(N[6]C[6,6])(C[6]C[6]H)	C[6,6](N[6,6]C[6]2)(N[6]C[6,6])(C[6]C[6]H)	N[6](C[6,6]N[6,6]C[6])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6](N[6,6]C[6]2)(N[6]C[6,6])(C[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	C[6,6](N[6,6]C[6]2)(N[6]C[6,6])(C[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	118.2630	0.000	1	118.2630	0.000	1	120.0045	6.066	2	120.0045	6.066	2	119.9070	3.061	3	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6,6]	3:3:	3:3:2:	3:2:3:	C[6,6]-3:C[6,6]-3:	C[6,6a]-3:N[6,6]-3:N[6]-2:	N[6,6]-3:N[6]-2:C[6]-3:	N[6](C[6,6]C[6,6a]N[6,6])(C[6,6]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]N[6])(N[6]C[6,6])	C[6,6](N[6,6]B[6]C[6])(N[6]C[6,6])(C[6]C[6]H)	N[6](C[6,6]C[6,6a]N[6,6])(C[6,6]N[6,6]C[6]){1|B<4>,1|H<1>,1|N<2>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]N[6])(N[6]C[6,6]){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[6,6](N[6,6]B[6]C[6])(N[6]C[6,6])(C[6]C[6]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	119.7120	0.000	1	119.7120	0.000	1	119.7120	0.000	1	119.7120	0.000	1	119.9070	3.061	3	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6]	3:3:	3:3:2:	2:2:1:	C[6,6]-3:C[6]-3:	N[6]-3:C[6,6]-3:N[6]-2:	N[6]-2:N[6]-2:O-1:	N[6](C[6,6]C[6,6]N[6])(C[6]N[6]O)	C[6,6](N[6]C[5]C[6])(C[6,6]C[6]2)(N[6]C[6])	C[6](N[6]C[6,6])(N[6]C[6])(O)	N[6](C[6,6]C[6,6]N[6])(C[6]N[6]O){1|C<4>,3|C<3>}	C[6,6](N[6]C[5]C[6])(C[6,6]C[6]2)(N[6]C[6]){1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|N<2>,2|O<1>}	C[6](N[6]C[6,6])(N[6]C[6])(O){1|C<3>,1|N<3>,1|O<1>}	117.7010	0.000	1	117.7010	0.000	1	117.7010	0.000	1	117.7010	0.000	1	118.8039	3.742	42	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6]	3:3:	3:3:2:	2:2:2:	C[6,6]-3:C[6]-3:	N[6,6,6a]-3:N[6]-3:N[6]-2:	N[6]-2:N[6]-2:N-2:	N[6](C[6,6]N[6,6,6a]N[6])(C[6]N[6]N)	C[6,6](N[6,6,6a]C[6,6a]2)(N[6]C[6]H)(N[6]C[6])	C[6](N[6]C[6,6a])(N[6]C[6,6])(NP)	N[6](C[6,6]N[6,6,6a]N[6])(C[6]N[6]N){1|H<1>,3|C<3>}	C[6,6](N[6,6,6a]C[6,6a]2)(N[6]C[6]H)(N[6]C[6]){6|N<2>}	C[6](N[6]C[6,6a])(N[6]C[6,6])(NP){1|N<2>,2|N<3>}	114.8840	0.000	1	114.8840	0.000	1	114.8840	0.000	1	114.8840	0.000	1	118.8039	3.742	42	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6]	3:3:	3:3:2:	2:2:3:	C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:N[6]-2:	N[6]-2:O[6]-2:C-3:	N[6](C[6,6]N[6,6]C[6])(C[6]O[6]C)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(N[6]C[6])	C[6](N[6]C[6,6])(O[6]B[6])(CCH)	N[6](C[6,6]N[6,6]C[6])(C[6]O[6]C){1|B<4>,1|H<1>,2|C<3>}	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(N[6]C[6]){1|H<1>,1|O<2>,2|F<1>,3|C<3>}	C[6](N[6]C[6,6])(O[6]B[6])(CCH){1|C<3>,1|N<3>,2|F<1>}	119.5710	0.000	1	119.5710	0.000	1	119.5710	0.000	1	119.5710	0.000	1	118.8039	3.742	42	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6]	3:3:	3:3:2:	2:2:4:	C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:N[6]-2:	N[6]-2:O[6]-2:C-4:	N[6](C[6,6]N[6,6]C[6])(C[6]O[6]C)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(N[6]C[6])	C[6](N[6]C[6,6])(O[6]B[6])(CH3)	N[6](C[6,6]N[6,6]C[6])(C[6]O[6]C){1|B<4>,1|H<1>,2|C<3>}	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(N[6]C[6]){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|F<1>}	C[6](N[6]C[6,6])(O[6]B[6])(CH3){1|C<3>,1|N<3>,2|F<1>}	118.8513	0.051	3	119.2536	0.305	5	119.2536	0.305	5	119.2536	0.305	5	118.8039	3.742	42	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6]	3:3:	3:3:2:	2:2:4:	C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:N[6]-2:	N[6]-2:O[6]-2:C-4:	N[6](C[6,6]N[6,6]C[6])(C[6]O[6]C)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(N[6]C[6])	C[6](N[6]C[6,6])(O[6]B[6])(CH3)	N[6](C[6,6]N[6,6]C[6])(C[6]O[6]C){1|B<4>,1|H<1>,2|C<3>}	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(N[6]C[6]){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|F<1>}	C[6](N[6]C[6,6])(O[6]B[6])(CH3){1|C<3>,1|N<3>,2|F<1>}	119.8570	0.000	2	119.2536	0.305	5	119.2536	0.305	5	119.2536	0.305	5	118.8039	3.742	42	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6]-3:C[6]-3:	C[6,6]-3:N[6]-3:N[6]-2:	N[6]-2:C[6]-3:H-1:	N[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)	C[6,6](C[6,6]C[6]N[6])(N[6]C[6]C)(N[6]C[6])	C[6](N[6]C[6,6])(C[6]N[6]H)(H)	N[6](C[6,6]C[6,6]N[6])(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6]C[6]N[6])(N[6]C[6]C)(N[6]C[6]){1|Cu<4>,1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6](N[6]C[6,6])(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|N<3>}	114.9725	0.008	2	114.9725	0.000	2	114.9725	0.000	2	119.0398	9.936	6	118.8039	3.742	42	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6]-3:C[6]-3:	C[6,6]-3:N[6]-3:N[6]-2:	N[6]-2:C[6]-3:O-1:	N[6](C[6,6]C[6,6]N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ru)(N[6]C[6])	C[6](N[6]C[6,6])(C[6]C[6]H)(O)	N[6](C[6,6]C[6,6]N[6])(C[6]C[6]O){1|Ru<6>,1|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ru)(N[6]C[6]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6])(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<3>}	121.0735	0.126	4	121.0735	0.016	4	121.0735	0.016	4	119.0398	9.936	6	118.8039	3.742	42	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6]	3:3:	3:3:2:	2:3:4:	C[6,6]-3:C[6]-3:	C[6,6]-3:N[6]-3:N[6]-2:	N[6]-2:C[6]-3:C-4:	N[6](C[6,6]C[6,6]N[6])(C[6]C[6]C)	C[6,6](C[6,6]C[6]N[6])(N[6]C[6]C)(N[6]C[6])	C[6](N[6]C[6,6])(C[6]N[6]C)(CH3)	N[6](C[6,6]C[6,6]N[6])(C[6]C[6]C){1|N<3>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6]N[6])(N[6]C[6]C)(N[6]C[6]){1|Co<6>,1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[6](N[6]C[6,6])(C[6]N[6]C)(CH3){1|Co<6>,1|C<3>,1|N<3>}	116.9240	0.000	1	116.9240	0.000	1	116.9240	0.000	1	116.9240	0.000	1	118.8039	3.742	42	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6]	3:3:	3:3:2:	3:2:2:	C[6,6]-3:C[6]-3:	C[6,6]-3:N[6]-3:N[6]-2:	C[5a]-3:N[6]-2:N[6]-2:	N[6](C[6,6]C[6,6]N[6])(C[6]C[5a]N[6])	C[6,6](C[6,6]C[6]S[6])(N[6]C[5a,6]C)(N[6]C[6])	C[6](C[5a]C[5a]S[5a])(N[6]C[6,6])(N[6]S[6])	N[6](C[6,6]C[6,6]N[6])(C[6]C[5a]N[6]){1|C<4>,2|S<2>,3|C<3>}	C[6,6](C[6,6]C[6]S[6])(N[6]C[5a,6]C)(N[6]C[6]){1|H<1>,2|C<3>,2|N<2>}	C[6](C[5a]C[5a]S[5a])(N[6]C[6,6])(N[6]S[6]){1|H<1>,1|N<3>,3|C<3>}	123.4090	0.000	2	123.4090	0.000	2	123.4090	0.000	2	119.8164	2.425	14	118.8039	3.742	42	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6]	3:3:	3:3:2:	3:2:2:	C[6,6]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:N[6]-2:	C[6a]-3:N[6]-2:O[6]-2:	N[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6a]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(N[6]C[6])	C[6](C[6a]C[6a]2)(N[6]C[6,6])(O[6]B[6])	N[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6a]O[6]){1|B<4>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(N[6]C[6]){1|O<2>,2|F<1>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6])(O[6]B[6]){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	119.4525	0.026	2	119.4525	0.001	2	119.4525	0.001	2	119.8164	2.425	14	118.8039	3.742	42	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6]	3:3:	3:3:2:	3:2:2:	C[6,6]-3:C[6]-3:	N[3x6]-3:C[6]-3:N[6]-2:	C[6a]-3:N[6]-2:O[6]-2:	N[6](C[6,6]N[3x6]C[6])(C[6]C[6a]O[6])	C[6,6](N[3x6]B[6,6]C[6,6])(C[6]C[6]H)(N[6]C[6])	C[6](C[6a]C[6a]2)(N[6]C[6,6])(O[6]B[6,6])	N[6](C[6,6]N[3x6]C[6])(C[6]C[6a]O[6]){1|B<4>,1|H<1>,4|C<3>}	C[6,6](N[3x6]B[6,6]C[6,6])(C[6]C[6]H)(N[6]C[6]){1|F<1>,1|H<1>,1|N<2>,2|C<3>,2|O<2>}	C[6](C[6a]C[6a]2)(N[6]C[6,6])(O[6]B[6,6]){1|F<1>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	119.2010	0.273	4	119.2010	0.075	4	119.2010	0.075	4	119.8164	2.425	14	118.8039	3.742	42	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6]	3:3:	3:3:2:	3:2:2:	C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:N[6]-2:	C[5a]-3:N[6]-2:O[6]-2:	N[6](C[6,6]N[6,6]C[6])(C[6]C[5a]O[6])	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(N[6]C[6])	C[6](C[5a]C[5a]O[5a])(N[6]C[6,6])(O[6]B[6])	N[6](C[6,6]N[6,6]C[6])(C[6]C[5a]O[6]){1|B<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(N[6]C[6]){1|O<2>,2|C<3>,2|F<1>,2|H<1>}	C[6](C[5a]C[5a]O[5a])(N[6]C[6,6])(O[6]B[6]){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	118.4140	0.000	1	118.4140	0.000	1	118.4140	0.000	1	119.8164	2.425	14	118.8039	3.742	42	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6]	3:3:	3:3:2:	3:2:2:	C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:N[6]-2:	C[6a]-3:N[6]-2:O[6]-2:	N[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(N[6]C[6])	C[6](C[6a]C[6a]2)(N[6]C[6,6])(O[6]B[6])	N[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6]){1|B<4>,1|H<1>,4|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(N[6]C[6]){1|O<2>,2|C<3>,2|F<1>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6,6])(O[6]B[6]){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	119.2840	0.000	1	119.2840	0.000	1	119.2976	0.100	5	119.8164	2.425	14	118.8039	3.742	42	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6]	3:3:	3:3:2:	3:2:2:	C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:N[6]-2:	C[6a]-3:N[6]-2:O[6]-2:	N[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(N[6]C[6])	C[6](C[6a]C[6a]2)(N[6]C[6,6])(O[6]B[6])	N[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6]){1|B<4>,1|H<1>,4|C<3>}	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(N[6]C[6]){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|F<1>}	C[6](C[6a]C[6a]2)(N[6]C[6,6])(O[6]B[6]){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	119.3010	0.365	4	119.3010	0.133	4	119.2976	0.100	5	119.8164	2.425	14	118.8039	3.742	42	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6]	3:3:	3:3:2:	3:3:2:	C[6,6]-3:C[6]-3:	N[3x6]-3:C[6]-3:N[6]-2:	C[6a]-3:N[6]-3:N[6]-2:	N[6](C[6,6]N[3x6]C[6])(C[6]C[6a]N[6])	C[6,6](N[3x6]B[6,6]C[6,6])(C[6]C[6]H)(N[6]C[6])	C[6](C[6a]C[6a]2)(N[6]B[6,6]H)(N[6]C[6,6])	N[6](C[6,6]N[3x6]C[6])(C[6]C[6a]N[6]){1|B<4>,2|H<1>,4|C<3>}	C[6,6](N[3x6]B[6,6]C[6,6])(C[6]C[6]H)(N[6]C[6]){1|H<1>,1|N<2>,2|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]B[6,6]H)(N[6]C[6,6]){2|H<1>,2|N<3>,4|C<3>}	119.0115	0.626	2	119.0115	0.392	2	119.0115	0.392	2	119.5560	1.085	3	118.8039	3.742	42	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6]	3:3:	3:3:2:	3:3:2:	C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:N[6]-2:	N[6]-3:C[6a]-3:N[6]-2:	N[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(N[6]C[6])	C[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(N[6]C[6,6])	N[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6]){1|B<4>,1|H<1>,5|C<3>}	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(N[6]C[6]){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(N[6]C[6,6]){1|N<3>,2|F<1>,2|H<1>,5|C<3>}	120.6450	0.000	1	120.6450	0.000	1	120.6450	0.000	1	119.5560	1.085	3	118.8039	3.742	42	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6]	3:3:	3:3:2:	3:4:2:	C[6,6]-3:C[6]-3:	N[3x6]-3:C[6]-3:N[6]-2:	N[6]-3:C[6]-4:N[6]-2:	N[6](C[6,6]N[3x6]C[6])(C[6]C[6]N[6])	C[6,6](N[3x6]B[6,6]C[6,6])(C[6]C[6]H)(N[6]C[6])	C[6](N[6]B[6,6]H)(C[6]C[6]2H)(N[6]C[6,6])	N[6](C[6,6]N[3x6]C[6])(C[6]C[6]N[6]){1|B<4>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](N[3x6]B[6,6]C[6,6])(C[6]C[6]H)(N[6]C[6]){1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|N<3>}	C[6](N[6]B[6,6]H)(C[6]C[6]2H)(N[6]C[6,6]){2|C<3>,2|C<4>,2|N<3>,4|H<1>}	119.0180	0.426	2	119.0180	0.181	2	119.0180	0.181	2	119.0180	0.181	2	118.8039	3.742	42	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6]	3:3:	3:3:2:	4:2:2:	C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:N[6]-2:	C[6,6]-4:N[6]-2:O-2:	N[6](C[6,6]N[6,6]C[6])(C[6]C[6,6]O)	C[6,6](N[6,6]C[5,6,6]C[6])(C[6]N[6]C)(N[6]C[6])	C[6](C[6,6]C[5,6,6]O[6]C)(N[6]C[6,6])(OC)	N[6](C[6,6]N[6,6]C[6])(C[6]C[6,6]O){1|C<3>,1|N<3>,1|O<2>,3|C<4>}	C[6,6](N[6,6]C[5,6,6]C[6])(C[6]N[6]C)(N[6]C[6]){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[6](C[6,6]C[5,6,6]O[6]C)(N[6]C[6,6])(OC){1|C<3>,1|C<4>,1|N<3>,2|O<2>}	117.7130	0.000	1	117.7130	0.000	1	117.7130	0.000	1	117.7130	0.000	1	118.8039	3.742	42	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6]	3:3:	3:4:2:	2:3:1:	C[6,6]-3:C[6]-3:	N[6,6]-3:N[6]-4:N[6]-2:	N[6]-2:C[6]-3:H-1:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)	C[6,6](N[6,6]C[6]2)(N[6]C[6]CC)(N[6]C[6])	C[6](N[6]C[6,6])(C[6]C[6]H)(H)	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]H){1|C<3>,1|H<1>,4|C<4>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]CC)(N[6]C[6]){1|C<3>,1|C<4>,6|H<1>}	C[6](N[6]C[6,6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|N<4>}	117.6290	0.000	1	117.6290	0.000	1	117.6290	0.000	1	117.6290	0.000	1	118.8039	3.742	42	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6]	3:3:	3:4:2:	3:3:2:	C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:N[6]-2:	C[6]-3:N[6]-3:N[6]-2:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]N[6])	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]CC)(N[6]C[6])	C[6](C[6]C[6]N[6])(N[6]N[6]Pu)(N[6]C[6,6])	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]N[6]){1|Pu<11>,1|C<3>,1|N<2>,1|N<3>,4|C<4>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]CC)(N[6]C[6]){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]N[6])(N[6]N[6]Pu)(N[6]C[6,6]){1|C<4>,1|H<1>,3|C<3>}	116.3640	0.476	4	116.3640	0.226	4	116.3640	0.226	4	116.3640	0.226	4	118.8039	3.742	42	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6]	3:3:	4:2:2:	3:2:3:	C[6,6]-3:C[6]-3:	C[3x6]-4:N[6]-2:O[6]-2:	C[6]-3:N[6]-2:N-3:	N[6](C[6,6]C[3x6]O[6])(C[6]C[6]N)	C[6,6](C[3x6]C[6,6]2C)(N[6]C[6])(O[6]C[6])	C[6](C[6]C[6,6]C)(N[6]C[6,6])(NHH)	N[6](C[6,6]C[3x6]O[6])(C[6]C[6]N){1|C<3>,2|C<2>,2|C<4>}	C[6,6](C[3x6]C[6,6]2C)(N[6]C[6])(O[6]C[6]){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]C)(N[6]C[6,6])(NHH){1|H<1>,1|O<2>,2|C<4>}	117.0730	0.000	1	117.0730	0.000	1	117.0730	0.000	1	117.0730	0.000	1	118.8039	3.742	42	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6]	3:3:	4:3:2:	3:2:3:	C[6,6]-3:C[6]-3:	C[3x6]-4:N[6]-3:N[6]-2:	C[6]-3:N[6]-2:N-3:	N[6](C[6,6]C[3x6]N[6])(C[6]C[6]N)	C[6,6](C[3x6]C[6,6]2C)(N[6]C[6a]C[6])(N[6]C[6])	C[6](C[6]C[6,6]C)(N[6]C[6,6])(NHH)	N[6](C[6,6]C[3x6]N[6])(C[6]C[6]N){2|C<2>,2|C<3>,2|C<4>}	C[6,6](C[3x6]C[6,6]2C)(N[6]C[6a]C[6])(N[6]C[6]){1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[6]C[6,6]C)(N[6]C[6,6])(NHH){1|H<1>,1|N<3>,2|C<4>}	118.1720	0.000	1	118.1720	0.000	1	118.1720	0.000	1	118.1720	0.000	1	118.8039	3.742	42	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6,6]	3:3:	3:2:2:	3:3:2:	C[6,6]-3:C[6]-3:	C[5a]-3:N[6]-2:O[6]-2:	N[6,6]-3:C[6]-3:N[6]-2:	N[6](C[6,6]N[6,6]C[6])(C[6]C[5a]O[6])	C[6](C[5a]C[5a]2)(N[6]C[6,6])(O[6]B[6])	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(N[6]C[6])	N[6](C[6,6]N[6,6]C[6])(C[6]C[5a]O[6]){1|B<4>,1|H<1>,4|C<3>}	C[6](C[5a]C[5a]2)(N[6]C[6,6])(O[6]B[6]){1|N<3>,1|S<2>,2|C<3>,2|F<1>,2|H<1>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(N[6]C[6]){1|O<2>,2|C<3>,2|F<1>,2|H<1>}	119.0655	0.301	2	119.0655	0.090	2	119.0655	0.090	2	119.2560	0.154	3	119.2560	0.154	3	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6,6]	3:3:	3:2:2:	3:3:2:	C[6,6]-3:C[6]-3:	C[6a]-3:N[6]-2:O[6]-2:	N[6,6]-3:C[6]-3:N[6]-2:	N[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6,6])(O[6]B[6])	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(N[6]C[6])	N[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6]){1|B<4>,1|H<1>,4|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6,6])(O[6]B[6]){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(N[6]C[6]){1|O<2>,2|C<3>,2|F<1>,2|H<1>}	119.6370	0.000	1	119.6370	0.000	1	119.6370	0.000	1	119.2560	0.154	3	119.2560	0.154	3	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	2:2:1:	2:2:1:	C[6]-3:C[6]-3:	C[6]-2:N[6]-2:H-1:	C[6]-2:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]C[6])(N[6]C[6])(H)	C[6](C[6]C[6])(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|C<3>}	C[6](C[6]C[6])(N[6]C[6])(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6])(N[6]C[6])(H){1|C<2>,1|C<3>,1|H<1>}	116.5545	0.127	2	116.5545	0.016	2	116.5545	0.016	2	115.0466	15.877	14	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	2:2:1:	2:2:1:	C[6]-3:C[6]-3:	C[6]-2:N[6]-2:N-1:	N[6]-2:N[6]-2:O-1:	N[6](C[6]C[6]N)(C[6]N[6]O)	C[6](C[6]C[6])(N[6]C[6])(N)	C[6](N[6]C[6])2(O)	N[6](C[6]C[6]N)(C[6]N[6]O){1|C<2>}	C[6](C[6]C[6])(N[6]C[6])(N){1|N<2>,1|O<1>}	C[6](N[6]C[6])2(O){1|C<2>,1|N<1>}	122.1720	1.711	2	122.1720	2.928	2	122.1720	2.928	2	115.0466	15.877	14	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	2:2:1:	2:2:1:	C[6]-3:C[6]-3:	N[6]-2:N[6]-2:Cl-1:	N[6]-2:N[6]-2:Cl-1:	N[6](C[6]N[6]Cl)2	C[6](N[6]C[6])(N[6]P[6])(Cl)	C[6](N[6]C[6])(N[6]P[6])(Cl)	N[6](C[6]N[6]Cl)2{1|P<4>}	C[6](N[6]C[6])(N[6]P[6])(Cl){1|Cl<1>,3|N<2>}	C[6](N[6]C[6])(N[6]P[6])(Cl){1|Cl<1>,3|N<2>}	111.9160	0.000	1	111.9160	0.000	1	114.6062	2.341	5	115.0466	15.877	14	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	2:2:1:	2:2:1:	C[6]-3:C[6]-3:	N[6]-2:N[6]-2:Cl-1:	N[6]-2:N[6]-2:Cl-1:	N[6](C[6]N[6]Cl)2	C[6](N[6]C[6])(N[6]S[6])(Cl)	C[6](N[6]C[6])(N[6]S[6])(Cl)	N[6](C[6]N[6]Cl)2{1|S<4>}	C[6](N[6]C[6])(N[6]S[6])(Cl){2|Cl<1>,1|N<2>,1|O<1>}	C[6](N[6]C[6])(N[6]S[6])(Cl){2|Cl<1>,1|N<2>,1|O<1>}	115.2788	0.326	4	115.2788	0.106	4	114.6062	2.341	5	115.0466	15.877	14	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	2:2:1:	2:2:1:	C[6]-3:C[6]-3:	N[6]-2:N[6]-2:F-1:	N[6]-2:N[6]-2:F-1:	N[6](C[6]N[6]F)2	C[6](N[6]C[6])2(F)	C[6](N[6]C[6])2(F)	N[6](C[6]N[6]F)2{1|C<3>}	C[6](N[6]C[6])2(F){1|F<1>,1|N<2>,1|O<1>}	C[6](N[6]C[6])2(F){1|F<1>,1|N<2>,1|O<1>}	108.4540	0.000	1	108.5130	0.007	2	108.5130	0.007	2	115.0466	15.877	14	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	2:2:1:	2:2:1:	C[6]-3:C[6]-3:	N[6]-2:N[6]-2:F-1:	N[6]-2:N[6]-2:F-1:	N[6](C[6]N[6]F)2	C[6](N[6]C[6])2(F)	C[6](N[6]C[6])2(F)	N[6](C[6]N[6]F)2{1|C<4>}	C[6](N[6]C[6])2(F){1|N<2>,3|F<1>}	C[6](N[6]C[6])2(F){1|N<2>,3|F<1>}	108.5720	0.000	1	108.5130	0.007	2	108.5130	0.007	2	115.0466	15.877	14	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	2:2:1:	2:2:1:	C[6]-3:C[6]-3:	N[6]-2:N[6]-2:F-1:	N[6]-2:N[6]-2:O-1:	N[6](C[6]N[6]F)(C[6]N[6]O)	C[6](N[6]C[6])2(F)	C[6](N[6]C[6])2(O)	N[6](C[6]N[6]F)(C[6]N[6]O){1|C<3>}	C[6](N[6]C[6])2(F){1|F<1>,1|N<2>,1|O<1>}	C[6](N[6]C[6])2(O){1|N<2>,2|F<1>}	114.2905	0.517	2	114.2905	0.267	2	114.2905	0.267	2	115.0466	15.877	14	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	2:2:1:	2:2:1:	C[6]-3:C[6]-3:	N[6]-2:N[6]-2:H-1:	N[6]-2:N[6]-2:H-1:	N[6](C[6]N[6]H)2	C[6](N[6]C[6])2(H)	C[6](N[6]C[6])2(H)	N[6](C[6]N[6]H)2{1|C<4>}	C[6](N[6]C[6])2(H){1|C<4>,1|N<2>,2|H<1>}	C[6](N[6]C[6])2(H){1|C<4>,1|N<2>,2|H<1>}	114.5620	0.000	1	114.5620	0.000	1	114.5620	0.000	1	115.0466	15.877	14	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	2:2:1:	2:2:2:	C[6]-3:C[6]-3:	C[6]-2:N[6]-2:N-1:	N[6]-2:N[6]-2:S-2:	N[6](C[6]C[6]N)(C[6]N[6]S)	C[6](C[6]C[6])(N[6]C[6])(N)	C[6](N[6]C[6])2(SC)	N[6](C[6]C[6]N)(C[6]N[6]S){1|C<3>}	C[6](C[6]C[6])(N[6]C[6])(N){1|N<1>,1|N<2>,1|S<2>}	C[6](N[6]C[6])2(SC){1|C<2>,2|N<1>}	116.9630	0.796	2	116.9630	0.634	2	116.9630	0.634	2	116.9630	0.634	2	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	2:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-2:N[6]-2:H-1:	N[6]-3:N[6]-2:O-1:	N[6](C[6]C[6]H)(C[6]N[6]O)	C[6](C[6]C[6])(N[6]C[6])(H)	C[6](N[6]C[6]Pt)(N[6]C[6])(O)	N[6](C[6]C[6]H)(C[6]N[6]O){1|Pt<4>,1|C<3>}	C[6](C[6]C[6])(N[6]C[6])(H){1|H<1>,1|N<3>,1|O<1>}	C[6](N[6]C[6]Pt)(N[6]C[6])(O){1|C<2>,2|H<1>}	119.3540	0.000	1	119.3540	0.000	1	119.3540	0.000	1	119.3540	0.000	1	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	2:2:1:	3:2:2:	C[6]-3:C[6]-3:	C[6]-2:N[6]-2:H-1:	C[6]-3:N[6]-2:S-2:	N[6](C[6]C[6]H)(C[6]C[6]S)	C[6](C[6]C[6])(N[6]C[6])(H)	C[6](C[6]C[6]S)(N[6]C[6])(SNi)	N[6](C[6]C[6]H)(C[6]C[6]S){1|C<3>,1|S<2>}	C[6](C[6]C[6])(N[6]C[6])(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]S)(N[6]C[6])(SNi){1|C<2>,2|H<1>}	117.9550	0.000	1	117.9550	0.000	1	117.9550	0.000	1	117.9550	0.000	1	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	2:2:2:	3:2:1:	C[6]-3:C[6]-3:	C[6]-2:N[6]-2:C-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6])(N[6]C[6])(CC)	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>}	C[6](C[6]C[6])(N[6]C[6])(CC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,2|C<2>}	118.1190	0.000	1	118.1190	0.000	1	118.1190	0.000	1	118.1190	0.000	1	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	2:2:2:	3:2:4:	C[6]-3:C[6]-3:	C[6]-2:N[6]-2:C-2:	C[6]-3:N[6]-2:C-4:	N[6](C[6]C[6]C)2	C[6](C[6]C[6])(N[6]C[6])(CN)	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	N[6](C[6]C[6]C)2{1|C<2>,1|H<1>}	C[6](C[6]C[6])(N[6]C[6])(CN){1|C<3>,1|C<4>}	C[6](C[6]C[6]H)(N[6]C[6])(CH3){2|C<2>}	124.7100	0.000	1	124.7100	0.000	1	124.7100	0.000	1	120.2060	40.572	2	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	2:2:2:	3:2:4:	C[6]-3:C[6]-3:	N[6]-2:N[6]-2:N-2:	N[6]-3:N[6]-2:C-4:	N[6](C[6]N[6]C)(C[6]N[6]N)	C[6](N[6]C[6])2(NH)	C[6](N[6]C[6]H)(N[6]C[6])(CH3)	N[6](C[6]N[6]C)(C[6]N[6]N){1|C<3>,1|H<1>}	C[6](N[6]C[6])2(NH){1|C<4>,1|N<2>,1|N<3>}	C[6](N[6]C[6]H)(N[6]C[6])(CH3){3|N<2>}	115.7020	0.000	1	115.7020	0.000	1	115.7020	0.000	1	120.2060	40.572	2	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	2:2:3:	2:2:2:	C[6]-3:C[6]-3:	N[6]-2:S[6]-2:N-3:	N[6]-2:S[6]-2:N-2:	N[6](C[6]S[6]N)2	C[6](N[6]C[6])(S[6]C[6])(NHH)	C[6](N[6]C[6])(S[6]C[6])(NH)	N[6](C[6]S[6]N)2{1|C<4>}	C[6](N[6]C[6])(S[6]C[6])(NHH){1|N<2>,1|S<2>,2|H<1>}	C[6](N[6]C[6])(S[6]C[6])(NH){1|N<3>,1|S<2>,2|H<1>}	124.5700	0.000	1	124.5700	0.000	1	124.5700	0.000	1	124.5700	0.000	1	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	2:2:3:	2:2:3:	C[6]-3:C[6]-3:	N[6]-2:N[6]-2:N-3:	N[6]-2:N[6]-2:N-3:	N[6](C[6]N[6]N)2	C[6](N[6]C[6])(N[6]P[6])(NCC)	C[6](N[6]C[6])(N[6]P[6])(NCC)	N[6](C[6]N[6]N)2{1|P<4>}	C[6](N[6]C[6])(N[6]P[6])(NCC){1|N<2>,1|N<3>,2|O<2>}	C[6](N[6]C[6])(N[6]P[6])(NCC){1|N<2>,1|N<3>,2|O<2>}	119.3975	0.425	4	119.3236	0.143	7	118.6874	3.360	8	118.6874	3.360	8	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	2:2:3:	2:2:3:	C[6]-3:C[6]-3:	N[6]-2:N[6]-2:N-3:	N[6]-2:N[6]-2:N-3:	N[6](C[6]N[6]N)2	C[6](N[6]C[6])(N[6]P[6])(NCC)	C[6](N[6]C[6])(N[6]P[6])(NCC)	N[6](C[6]N[6]N)2{1|P<4>}	C[6](N[6]C[6])(N[6]P[6])(NCC){1|N<2>,3|N<3>}	C[6](N[6]C[6])(N[6]P[6])(NCC){1|N<2>,3|N<3>}	119.2250	0.362	3	119.3236	0.143	7	118.6874	3.360	8	118.6874	3.360	8	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	2:2:3:	2:2:3:	C[6]-3:C[6]-3:	N[6]-2:N[6]-2:N-3:	N[6]-2:N[6]-2:N-3:	N[6](C[6]N[6]N)2	C[6](N[6]C[6])2(NC[6a]H)	C[6](N[6]C[6])2(NC[6a]H)	N[6](C[6]N[6]N)2{1|C<2>}	C[6](N[6]C[6])2(NC[6a]H){1|N<2>,1|N<3>}	C[6](N[6]C[6])2(NC[6a]H){1|N<2>,1|N<3>}	114.2340	0.000	1	114.2340	0.000	1	118.6874	3.360	8	118.6874	3.360	8	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	2:2:3:	3:2:1:	C[6]-3:C[6]-3:	N[6]-2:S[6]-2:N-3:	N[6]-3:N[6]-2:S-1:	N[6](C[6]N[6]S)(C[6]S[6]N)	C[6](N[6]C[6])(S[6]C[6])(NC[6a]C)	C[6](N[6]C[6]H)(N[6]C[6])(S)	N[6](C[6]N[6]S)(C[6]S[6]N){1|C<4>,1|H<1>}	C[6](N[6]C[6])(S[6]C[6])(NC[6a]C){1|N<3>,1|S<1>,2|C<4>}	C[6](N[6]C[6]H)(N[6]C[6])(S){1|N<3>,1|S<2>,2|C<4>}	121.5605	0.067	2	121.5605	0.005	2	121.5605	0.005	2	121.5605	0.005	2	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	2:2:4:	2:2:1:	C[6]-3:C[6]-3:	N[6]-2:N[6]-2:C-4:	N[6]-2:N[6]-2:F-1:	N[6](C[6]N[6]C)(C[6]N[6]F)	C[6](N[6]C[6])2(CF3)	C[6](N[6]C[6])2(F)	N[6](C[6]N[6]C)(C[6]N[6]F){1|C<4>}	C[6](N[6]C[6])2(CF3){1|F<1>,1|N<2>,2|C<4>}	C[6](N[6]C[6])2(F){1|N<2>,3|C<4>}	109.2910	0.000	1	109.2910	0.000	1	109.2910	0.000	1	109.2910	0.000	1	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	2:2:1:	C[6]-3:C[6]-3:	C[6,6]-3:N[6]-2:O-1:	N[6]-2:N[6]-2:O-1:	N[6](C[6]C[6,6]O)(C[6]N[6]O)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6])(O)	C[6](N[6]C[6,6])(N[6]C[6])(O)	N[6](C[6]C[6,6]O)(C[6]N[6]O){2|C<3>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6])(O){1|O<1>,2|N<2>,2|N<3>}	C[6](N[6]C[6,6])(N[6]C[6])(O){1|C<3>,1|N<3>,1|O<1>}	126.3000	0.000	1	126.3000	0.000	1	126.3000	0.000	1	121.9011	21.756	15	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	2:2:1:	C[6]-3:C[6]-3:	C[6,6a]-3:N[6]-2:O-1:	N[6]-2:N[6]-2:O-1:	N[6](C[6]C[6,6a]O)(C[6]N[6]O)	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6])(O)	C[6](N[6]C[6,6a])(N[6]C[6])(O)	N[6](C[6]C[6,6a]O)(C[6]N[6]O){1|C<3>,1|N<2>}	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6])(O){1|C<3>,1|O<1>,2|N<2>}	C[6](N[6]C[6,6a])(N[6]C[6])(O){1|C<3>,1|N<2>,1|O<1>}	125.1190	0.000	1	125.1190	0.000	1	125.1190	0.000	1	121.9011	21.756	15	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	2:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-2:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]C[6])(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6])(N[6]C[6])(H){1|H<1>,2|C<3>}	115.2713	1.862	3	115.0583	2.494	4	115.0583	2.494	4	121.9011	21.756	15	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	2:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-2:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]C[6])(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6])(N[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	114.4190	0.000	1	115.0583	2.494	4	115.0583	2.494	4	121.9011	21.756	15	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	2:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	N[6]-2:N[6]-2:S-1:	N[6](C[6]C[6]H)(C[6]N[6]S)	C[6](C[6]C[6]C)(N[6]C[6])(H)	C[6](N[6]C[6])2(S)	N[6](C[6]C[6]H)(C[6]N[6]S){1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<2>,1|S<1>}	C[6](N[6]C[6])2(S){2|C<3>,2|H<1>}	122.7810	0.000	1	122.7810	0.000	1	122.7810	0.000	1	121.9011	21.756	15	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	2:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:O-1:	N[6]-2:N[6]-2:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)	C[6](C[6]C[6]N)(N[6]C[6])(O)	C[6](N[6]C[6])2(O)	N[6](C[6]C[6]O)(C[6]N[6]O){1|C<3>,1|N<3>}	C[6](C[6]C[6]N)(N[6]C[6])(O){1|N<2>,2|O<1>}	C[6](N[6]C[6])2(O){1|C<3>,2|O<1>}	126.5670	0.109	2	126.5670	0.012	2	126.5670	0.012	2	121.9011	21.756	15	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	2:2:1:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:O-1:	C[6]-2:N[6]-2:N-1:	N[6](C[6]C[6]N)(C[6]N[6]O)	C[6](N[6]C[5]C[6])(N[6]C[6])(O)	C[6](C[6]C[6])(N[6]C[6])(N)	N[6](C[6]C[6]N)(C[6]N[6]O){1|C<2>,1|C<3>}	C[6](N[6]C[5]C[6])(N[6]C[6])(O){1|N<1>,1|O<2>,2|C<2>}	C[6](C[6]C[6])(N[6]C[6])(N){1|N<3>,1|O<1>}	124.6030	0.000	1	124.6030	0.000	1	124.6030	0.000	1	121.9011	21.756	15	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	2:2:1:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:O-1:	N[6]-2:N[6]-2:O-1:	N[6](C[6]N[6]O)2	C[6](N[6]C[6]Cu)(N[6]C[6])(O)	C[6](N[6]C[6])2(O)	N[6](C[6]N[6]O)2{1|Cu<4>,1|C<3>}	C[6](N[6]C[6]Cu)(N[6]C[6])(O){1|N<2>,2|O<1>}	C[6](N[6]C[6])2(O){1|N<3>,2|O<1>}	124.0070	0.748	2	124.0070	0.560	2	123.2692	4.780	5	121.9011	21.756	15	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	2:2:1:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:O-1:	N[6]-2:N[6]-2:O-1:	N[6](C[6]N[6]O)2	C[6](N[6]C[6]H)(N[6]C[6])(O)	C[6](N[6]C[6])2(O)	N[6](C[6]N[6]O)2{1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(O){1|N<2>,2|O<1>}	C[6](N[6]C[6])2(O){1|N<3>,2|O<1>}	121.8940	3.473	2	121.8940	12.064	2	123.2692	4.780	5	121.9011	21.756	15	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	2:2:1:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:O-1:	N[6]-2:N[6]-2:O-1:	N[6](C[6]N[6]O)2	C[6](N[6]C[6]Ni)(N[6]C[6])(O)	C[6](N[6]C[6])2(O)	N[6](C[6]N[6]O)2{1|Ni<6>,1|C<3>}	C[6](N[6]C[6]Ni)(N[6]C[6])(O){1|N<2>,2|O<1>}	C[6](N[6]C[6])2(O){1|N<3>,2|O<1>}	124.5440	0.000	1	124.5440	0.000	1	123.2692	4.780	5	121.9011	21.756	15	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	2:2:2:	C[6]-3:C[6]-3:	C[5,6]-3:N[6]-2:O-1:	N[6]-2:N[6]-2:N-2:	N[6](C[6]C[5,6]O)(C[6]N[6]N)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6])(O)	C[6](N[6]C[5,6])(N[6]C[6])(NH)	N[6](C[6]C[5,6]O)(C[6]N[6]N){1|C<3>,1|N<3>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6])(O){1|Ru<9>,1|C<3>,1|N<3>,2|N<2>}	C[6](N[6]C[5,6])(N[6]C[6])(NH){1|C<3>,1|N<3>,1|O<1>}	126.3660	0.010	2	126.3660	0.000	2	126.3660	0.000	2	119.5959	21.790	7	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	2:2:2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-2:N[6]-2:N-2:	N[6](C[6]C[6]H)(C[6]C[6]N)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]C[6])(N[6]C[6])(NN)	N[6](C[6]C[6]H)(C[6]C[6]N){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<2>,1|H<1>,1|N<2>}	C[6](C[6]C[6])(N[6]C[6])(NN){1|C<3>,2|H<1>}	115.5770	0.000	1	115.5770	0.000	1	115.5770	0.000	1	119.5959	21.790	7	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	2:2:2:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:S-1:	N[6]-2:N[6]-2:O-2:	N[6](C[6]N[6]O)(C[6]N[6]S)	C[6](N[6]C[6]C)(N[6]C[6])(S)	C[6](N[6]C[6])2(OC)	N[6](C[6]N[6]O)(C[6]N[6]S){1|C<3>,1|C<4>}	C[6](N[6]C[6]C)(N[6]C[6])(S){1|N<2>,2|O<2>}	C[6](N[6]C[6])2(OC){1|N<3>,1|O<2>,1|S<1>}	117.1160	0.000	1	117.1160	0.000	1	117.1160	0.000	1	119.5959	21.790	7	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	2:2:2:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:S-1:	N[6]-2:N[6]-2:S-2:	N[6](C[6]N[6]S)2	C[6](N[6]C[6]C)(N[6]C[6])(S)	C[6](N[6]C[6])2(SC)	N[6](C[6]N[6]S)2{1|C<3>,1|C<4>}	C[6](N[6]C[6]C)(N[6]C[6])(S){1|N<2>,1|O<2>,1|S<2>}	C[6](N[6]C[6])2(SC){1|N<3>,1|O<2>,1|S<1>}	117.4105	0.288	2	117.2487	0.120	3	117.2487	0.120	3	119.5959	21.790	7	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	2:2:2:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:S-1:	N[6]-2:N[6]-2:S-2:	N[6](C[6]N[6]S)2	C[6](N[6]C[6]C)(N[6]C[6])(S)	C[6](N[6]C[6])2(SC)	N[6](C[6]N[6]S)2{1|C<3>,1|C<4>}	C[6](N[6]C[6]C)(N[6]C[6])(S){1|N<2>,2|S<2>}	C[6](N[6]C[6])2(SC){1|N<3>,1|S<1>,1|S<2>}	116.9250	0.000	1	117.2487	0.120	3	117.2487	0.120	3	119.5959	21.790	7	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	2:2:3:	C[6]-3:C[6]-3:	C[5,6]-3:N[6]-2:O-1:	N[6]-2:N[6]-2:N-3:	N[6](C[6]C[5,6]O)(C[6]N[6]N)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6])(O)	C[6](N[6]C[5,6])(N[6]C[6])(NCH)	N[6](C[6]C[5,6]O)(C[6]N[6]N){1|C<3>,1|N<2>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6])(O){1|Se<2>,1|N<3>,2|N<2>}	C[6](N[6]C[5,6])(N[6]C[6])(NCH){1|C<3>,1|N<2>,1|O<1>}	124.8600	0.000	1	124.8600	0.000	1	122.0998	4.112	4	119.8684	11.011	20	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	2:2:3:	C[6]-3:C[6]-3:	C[5,6]-3:N[6]-2:O-1:	N[6]-2:N[6]-2:N-3:	N[6](C[6]C[5,6]O)(C[6]N[6]N)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6])(O)	C[6](N[6]C[5,6])(N[6]C[6])(NHH)	N[6](C[6]C[5,6]O)(C[6]N[6]N){1|C<3>,1|N<3>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6])(O){1|Pt<4>,1|C<3>,1|N<2>,2|N<3>}	C[6](N[6]C[5,6])(N[6]C[6])(NHH){1|C<3>,1|N<3>,1|O<1>}	121.1797	1.043	3	121.1797	1.088	3	122.0998	4.112	4	119.8684	11.011	20	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	2:2:3:	C[6]-3:C[6]-3:	C[5a,6]-3:N[6]-2:O-1:	N[6]-2:N[6]-2:N-3:	N[6](C[6]C[5a,6]O)(C[6]N[6]N)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(O)	C[6](N[6]C[5a,6])(N[6]C[6])(NCH)	N[6](C[6]C[5a,6]O)(C[6]N[6]N){1|C<3>,1|N<2>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(O){1|C<3>,1|N<2>,2|N<3>}	C[6](N[6]C[5a,6])(N[6]C[6])(NCH){1|C<3>,1|N<3>,1|O<1>}	125.4090	0.000	1	125.4090	0.000	1	120.1347	13.015	11	119.8684	11.011	20	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	2:2:3:	C[6]-3:C[6]-3:	C[5a,6]-3:N[6]-2:O-1:	N[6]-2:N[6]-2:N-3:	N[6](C[6]C[5a,6]O)(C[6]N[6]N)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(O)	C[6](N[6]C[5a,6])(N[6]C[6])(NHH)	N[6](C[6]C[5a,6]O)(C[6]N[6]N){1|C<3>,1|N<2>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(O){1|C<3>,1|N<2>,2|N<3>}	C[6](N[6]C[5a,6])(N[6]C[6])(NHH){1|C<3>,1|N<3>,1|O<1>}	125.6735	0.018	2	119.6073	11.061	10	120.1347	13.015	11	119.8684	11.011	20	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	2:2:3:	C[6]-3:C[6]-3:	C[5a,6]-3:N[6]-2:O-1:	N[6]-2:N[6]-2:N-3:	N[6](C[6]C[5a,6]O)(C[6]N[6]N)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(O)	C[6](N[6]C[5a,6])(N[6]C[6])(NHH)	N[6](C[6]C[5a,6]O)(C[6]N[6]N){1|C<3>,1|N<2>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(O){1|C<3>,1|N<3>,2|N<2>}	C[6](N[6]C[5a,6])(N[6]C[6])(NHH){1|C<3>,1|N<2>,1|O<1>}	118.0907	1.039	8	119.6073	11.061	10	120.1347	13.015	11	119.8684	11.011	20	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	2:2:3:	C[6]-3:C[6]-3:	C[6,6a]-3:N[6]-2:H-1:	O[6]-2:N[6]-2:C-3:	N[6](C[6]C[6,6a]H)(C[6]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(H)	C[6](O[6]C[6,6a])(N[6]C[6])(CCN)	N[6](C[6]C[6,6a]H)(C[6]O[6]C){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(H){1|H<1>,1|O<2>,3|C<3>}	C[6](O[6]C[6,6a])(N[6]C[6])(CCN){1|H<1>,2|C<3>}	118.7400	0.000	1	118.7400	0.000	1	118.7660	0.036	3	119.8684	11.011	20	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	2:2:3:	C[6]-3:C[6]-3:	C[6,6a]-3:N[6]-2:H-1:	O[6]-2:N[6]-2:C-3:	N[6](C[6]C[6,6a]H)(C[6]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(H)	C[6](O[6]C[6,6a])(N[6]C[6])(CC[6a]N)	N[6](C[6]C[6,6a]H)(C[6]O[6]C){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(H){1|H<1>,1|O<2>,3|C<3>}	C[6](O[6]C[6,6a])(N[6]C[6])(CC[6a]N){1|H<1>,2|C<3>}	118.7790	0.267	2	118.7790	0.071	2	118.7660	0.036	3	119.8684	11.011	20	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	2:2:3:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:Cl-1:	N[6]-2:N[6]-2:N-3:	N[6](C[6]C[6]Cl)(C[6]N[6]N)	C[6](C[6]C[6]H)(N[6]C[6])(Cl)	C[6](N[6]C[6])2(NHH)	N[6](C[6]C[6]Cl)(C[6]N[6]N){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(Cl){1|N<2>,1|N<3>,1|O<1>}	C[6](N[6]C[6])2(NHH){1|Cl<1>,1|C<3>,1|O<1>}	113.8960	0.000	1	113.8960	0.000	1	113.8960	0.000	1	119.8684	11.011	20	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	2:2:3:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:O-1:	N[6]-2:N[6]-2:N-3:	N[6](C[6]C[6]O)(C[6]N[6]N)	C[6](C[6]C[6]H)(N[6]C[6])(O)	C[6](N[6]C[6])2(NHH)	N[6](C[6]C[6]O)(C[6]N[6]N){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(O){1|Cl<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6])2(NHH){1|Cl<1>,1|C<3>,1|O<1>}	117.2930	0.000	1	117.2930	0.000	1	117.2930	0.000	1	119.8684	11.011	20	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	2:3:2:	C[6]-3:C[6]-3:	C[6,6a]-3:N[6]-2:H-1:	O[6]-2:C-3:N[6]-2:	N[6](C[6]C[6,6a]H)(C[6]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(H)	C[6](O[6]C[6,6a])(CC[3]N[5])(N[6]C[6])	N[6](C[6]C[6,6a]H)(C[6]O[6]C){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(H){1|H<1>,1|O<2>,3|C<3>}	C[6](O[6]C[6,6a])(CC[3]N[5])(N[6]C[6]){1|H<1>,2|C<3>}	118.7090	0.000	1	118.7090	0.000	1	118.7090	0.000	1	118.7090	0.000	1	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[5,6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[5,6]H)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(N[6]C[6])(H)	C[6](C[6]N[5,6]H)(N[6]C[6])(H)	N[6](C[6]C[5,6]H)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]N[5,6]C[5])(N[6]C[6])(H){1|Ga<5>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[5,6]H)(N[6]C[6])(H){1|Ga<5>,1|C<3>,1|H<1>}	116.0130	0.000	1	116.0130	0.000	1	116.0130	0.000	1	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[5a,6]-3:N[6]-2:Cl-1:	N[6]-3:N[6]-2:H-1:	N[6](C[6]C[5a,6]Cl)(C[6]N[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6])(Cl)	C[6](N[6]C[5a,6]Ru)(N[6]C[6])(H)	N[6](C[6]C[5a,6]Cl)(C[6]N[6]H){1|Ru<9>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6])(Cl){1|C<3>,2|H<1>,2|N<3>}	C[6](N[6]C[5a,6]Ru)(N[6]C[6])(H){1|Cl<1>,1|C<3>,1|N<3>}	117.3710	0.000	1	117.3710	0.000	1	117.3710	0.000	1	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6,6a]-3:N[6]-2:O-1:	C[6,6a]-3:N[6]-2:O-1:	N[6](C[6]C[6,6a]O)2	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6])(O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6])(O)	N[6](C[6]C[6,6a]O)2{3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6])(O){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6])(O){1|H<1>,1|O<1>,3|C<3>}	125.1800	0.000	1	125.1800	0.000	1	125.1800	0.000	1	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:Br-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]Br)(C[6]C[6]H)	C[6](C[6]N[6]H)(N[6]C[6])(Br)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]Br)(C[6]C[6]H){1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(Br){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Br<1>,1|Co<6>,1|C<3>}	114.8430	0.000	1	114.9895	0.043	2	114.9895	0.043	2	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:Br-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]Br)(C[6]C[6]H)	C[6](C[6]N[6]H)(N[6]C[6])(Br)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]Br)(C[6]C[6]H){1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(Br){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Br<1>,1|Ni<6>,1|C<3>}	115.1360	0.000	1	114.9895	0.043	2	114.9895	0.043	2	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:Cl-1:	C[6]-3:N[6]-2:Cl-1:	N[6](C[6]C[6]Cl)2	C[6](C[6]N[6]H)(N[6]C[6])(Cl)	C[6](C[6]N[6]H)(N[6]C[6])(Cl)	N[6](C[6]C[6]Cl)2{1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(Cl){1|Cl<1>,1|Zn<4>,1|C<3>}	C[6](C[6]N[6]H)(N[6]C[6])(Cl){1|Cl<1>,1|Zn<4>,1|C<3>}	115.1900	0.553	6	115.1900	0.306	6	115.1900	0.306	6	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:Cl-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]Cl)(C[6]C[6]H)	C[6](C[6]N[6]H)(N[6]C[6])(Cl)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]Cl)(C[6]C[6]H){1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(Cl){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Cl<1>,1|C<3>,1|O<1>}	114.3750	0.000	1	114.6410	0.072	4	114.6410	0.072	4	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:Cl-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]Cl)(C[6]C[6]H)	C[6](C[6]N[6]H)(N[6]C[6])(Cl)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]Cl)(C[6]C[6]H){1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(Cl){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Cl<1>,1|Co<6>,1|C<3>}	114.6940	0.000	1	114.6410	0.072	4	114.6410	0.072	4	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:Cl-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]Cl)(C[6]C[6]H)	C[6](C[6]N[6]H)(N[6]C[6])(Cl)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]Cl)(C[6]C[6]H){1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(Cl){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Cl<1>,1|Fe<6>,1|C<3>}	114.9930	0.000	1	114.6410	0.072	4	114.6410	0.072	4	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:Cl-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]Cl)(C[6]C[6]H)	C[6](C[6]N[6]H)(N[6]C[6])(Cl)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]Cl)(C[6]C[6]H){1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(Cl){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Cl<1>,1|Ni<6>,1|C<3>}	114.5020	0.000	1	114.6410	0.072	4	114.6410	0.072	4	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:Cl-1:	C[6]-3:N[6]-2:O-1:	N[6](C[6]C[6]Cl)(C[6]C[6]O)	C[6](C[6]C[6]Cl)(N[6]C[6])(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6])(O)	N[6](C[6]C[6]Cl)(C[6]C[6]O){2|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)(N[6]C[6])(Cl){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Cl)(N[6]C[6])(O){1|Cl<1>,1|C<3>,1|H<1>}	120.5030	0.365	2	120.5030	0.133	2	120.5030	0.133	2	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:Br-1:	N[6](C[6]C[6]Br)(C[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]C[6]O)(N[6]C[6])(Br)	N[6](C[6]C[6]Br)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]O)(N[6]C[6])(Br){1|C<3>,2|H<1>}	118.2690	0.000	1	118.2690	0.000	1	117.6583	0.700	3	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:Br-1:	N[6](C[6]C[6]Br)(C[6]C[6]H)	C[6](C[6]N[5]N[6])(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(Br)	N[6](C[6]C[6]Br)(C[6]C[6]H){1|H<1>,2|N<3>}	C[6](C[6]N[5]N[6])(N[6]C[6])(H){1|Br<1>,1|Re<6>,1|N<3>,2|C<3>}	C[6](C[6]N[6]H)(N[6]C[6])(Br){1|Re<6>,1|C<3>,1|H<1>}	117.3530	0.916	2	117.3530	0.840	2	117.6583	0.700	3	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:Cl-1:	N[6](C[6]C[6]Cl)(C[6]C[6]H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]C)(N[6]C[6])(Cl)	N[6](C[6]C[6]Cl)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]N[6]C)(N[6]C[6])(Cl){1|C<3>,2|H<1>}	118.4670	0.000	1	118.4670	0.000	1	118.4670	0.000	1	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]C[5]N[6])(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(N[6]C[6])(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|O<1>}	114.9500	0.000	1	115.7938	0.942	12	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]C[5]N[6])(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(N[6]C[6])(H){1|Cd<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Cd<7>,1|C<3>,1|H<1>}	116.0010	0.000	1	115.7938	0.942	12	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]C[5]N[6])(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(N[6]C[6])(H){1|Co<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Co<6>,1|C<3>,1|H<1>}	116.5410	0.000	1	115.7938	0.942	12	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]C[5]N[6])(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(N[6]C[6])(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Cu<4>,1|C<3>,1|H<1>}	116.4085	0.538	2	115.7938	0.942	12	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]C[5]N[6])(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(N[6]C[6])(H){1|Cu<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Cu<6>,1|C<3>,1|H<1>}	116.2440	0.000	1	115.7938	0.942	12	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]C[5]N[6])(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(N[6]C[6])(H){1|Mn<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Mn<6>,1|C<3>,1|H<1>}	116.8620	0.000	1	115.7938	0.942	12	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]C[5]N[6])(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(N[6]C[6])(H){1|Ni<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Ni<6>,1|C<3>,1|H<1>}	115.9640	0.000	1	115.7938	0.942	12	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]C[5]N[6])(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(N[6]C[6])(H){1|Ru<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Ru<6>,1|C<3>,1|H<1>}	115.3540	0.000	1	115.7938	0.942	12	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]C[5]N[6])(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(N[6]C[6])(H){1|Fe<10>,1|Pd<4>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Pd<4>,1|C<3>,1|H<1>}	114.9310	1.450	3	115.7938	0.942	12	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]C[5a]N[6])(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(N[6]C[6])(H){1|Cd<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Cd<6>,1|C<3>,1|H<1>}	116.0300	0.000	1	116.0064	0.244	18	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]C[5a]N[6])(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(N[6]C[6])(H){1|Co<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Co<6>,1|C<3>,1|H<1>}	116.0900	0.101	3	116.0064	0.244	18	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]C[5a]N[6])(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(N[6]C[6])(H){1|Cu<5>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Cu<5>,1|C<3>,1|H<1>}	116.3130	0.000	1	116.0064	0.244	18	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]C[5a]N[6])(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(N[6]C[6])(H){1|Cu<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Cu<6>,1|C<3>,1|H<1>}	115.8135	0.803	4	116.0064	0.244	18	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]C[5a]N[6])(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(N[6]C[6])(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Fe<6>,1|C<3>,1|H<1>}	116.2080	0.000	1	116.0064	0.244	18	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]C[5a]N[6])(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(N[6]C[6])(H){1|Ir<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Ir<6>,1|C<3>,1|H<1>}	116.0260	0.000	1	116.0064	0.244	18	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]C[5a]N[6])(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(N[6]C[6])(H){1|Mn<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Mn<6>,1|C<3>,1|H<1>}	116.3100	0.122	2	116.0064	0.244	18	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]C[5a]N[6])(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(N[6]C[6])(H){1|Ni<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Ni<6>,1|C<3>,1|H<1>}	116.3600	0.000	1	116.0064	0.244	18	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]C[5a]N[6])(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(N[6]C[6])(H){1|Ru<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Ru<6>,1|C<3>,1|H<1>}	115.3270	0.750	2	116.0064	0.244	18	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]C[5a]N[6])(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(N[6]C[6])(H){1|Zn<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Zn<6>,1|C<3>,1|H<1>}	116.1905	0.073	2	116.0064	0.244	18	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]C[6]C)(N[6]C[6])(H)	C[6](C[6]C[6]C)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6])(H){1|C<3>,2|H<1>}	118.9040	0.000	1	118.9040	0.000	1	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]C[6]C)(N[6]C[6])(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>}	116.8040	0.000	1	116.8040	0.000	1	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>}	115.8920	0.000	1	115.8920	0.000	1	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]C[6]N[6])(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6])(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Co<6>,1|C<3>,1|H<1>}	115.8718	0.446	6	116.1587	0.188	38	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]C[6]N[6])(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6])(H){1|Cu<3>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Cu<3>,1|C<3>,1|H<1>}	116.1150	0.000	1	116.1587	0.188	38	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]C[6]N[6])(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6])(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Cu<4>,1|C<3>,1|H<1>}	115.6100	0.000	1	116.1587	0.188	38	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]C[6]N[6])(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6])(H){1|Cu<5>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Cu<5>,1|C<3>,1|H<1>}	115.8820	0.426	2	116.1587	0.188	38	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]C[6]N[6])(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6])(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Cu<5>,1|C<3>,1|H<1>}	116.0318	0.229	4	116.1587	0.188	38	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]C[6]N[6])(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6])(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Fe<6>,1|C<3>,1|H<1>}	116.5328	0.559	4	116.1587	0.188	38	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]C[6]N[6])(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6])(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Mn<6>,1|C<3>,1|H<1>}	116.2495	0.482	2	116.1587	0.188	38	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]C[6]N[6])(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6])(H){1|Ni<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Ni<6>,1|C<3>,1|H<1>}	115.8380	0.148	2	116.1587	0.188	38	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]C[6]N[6])(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6])(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Re<6>,1|C<3>,1|H<1>}	116.2434	0.365	5	116.1587	0.188	38	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]C[6]N[6])(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6])(H){1|Ru<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Ru<5>,1|C<3>,1|H<1>}	115.9845	0.047	2	116.1587	0.188	38	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]C[6]N[6])(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6])(H){1|Ru<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Ru<6>,1|C<3>,1|H<1>}	116.0110	0.000	1	116.1587	0.188	38	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]C[6]N[6])(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6])(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Ru<6>,1|C<3>,1|H<1>}	116.2398	0.451	4	116.1587	0.188	38	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]C[6]N[6])(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6])(H){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Zn<6>,1|C<3>,1|H<1>}	116.6805	0.285	4	116.1587	0.188	38	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]C[6a]N[6])(N[6]C[6])(H)	C[6](C[6]C[6a]N[6])(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(N[6]C[6])(H){1|Au<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6])(N[6]C[6])(H){1|Au<4>,1|H<1>,3|C<3>}	118.5235	0.202	2	118.5235	0.041	2	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]N[6]2)(N[6]C[6])(H)	C[6](C[6]N[6]2)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{3|N<3>}	C[6](C[6]N[6]2)(N[6]C[6])(H){1|Re<6>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]N[6]2)(N[6]C[6])(H){1|Re<6>,1|C<4>,1|H<1>,2|C<3>}	118.2430	0.000	1	118.2430	0.000	1	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]N[6]2)(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|H<1>,2|N<3>}	C[6](C[6]N[6]2)(N[6]C[6])(H){1|Ir<6>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Ir<6>,1|C<3>,1|H<1>}	116.9440	0.000	1	116.9440	0.000	1	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]N[6]C)(N[6]C[6])(H)	C[6](C[6]N[6]C)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|N<3>,2|C<3>}	C[6](C[6]N[6]C)(N[6]C[6])(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]N[6]C)(N[6]C[6])(H){1|Co<6>,1|C<3>,1|H<1>}	117.7953	0.077	3	117.1820	0.778	6	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]N[6]C)(N[6]C[6])(H)	C[6](C[6]N[6]C)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|N<3>,2|C<4>}	C[6](C[6]N[6]C)(N[6]C[6])(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]N[6]C)(N[6]C[6])(H){1|Co<6>,1|C<3>,1|H<1>}	117.5250	0.000	1	117.1820	0.778	6	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]N[6]C)(N[6]C[6])(H)	C[6](C[6]N[6]C)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|N<3>,2|C<4>}	C[6](C[6]N[6]C)(N[6]C[6])(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](C[6]N[6]C)(N[6]C[6])(H){1|Fe<5>,1|C<3>,1|H<1>}	116.4440	0.000	1	117.1820	0.778	6	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]N[6]C)(N[6]C[6])(H)	C[6](C[6]N[6]C)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|N<3>,2|C<4>}	C[6](C[6]N[6]C)(N[6]C[6])(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]N[6]C)(N[6]C[6])(H){1|Fe<6>,1|C<3>,1|H<1>}	115.7370	0.000	1	117.1820	0.778	6	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]N[6]C)(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[6]C)(N[6]C[6])(H){1|Bi<6>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Bi<6>,1|C<3>,1|H<1>}	116.0375	0.779	2	116.4019	1.321	73	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]N[6]C)(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[6]C)(N[6]C[6])(H){1|Cd<6>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Cd<6>,1|C<3>,1|H<1>}	116.5520	0.000	1	116.4019	1.321	73	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]N[6]C)(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[6]C)(N[6]C[6])(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Co<6>,1|C<3>,1|H<1>}	116.5319	1.545	16	116.4019	1.321	73	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]N[6]C)(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[6]C)(N[6]C[6])(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Cu<5>,1|C<3>,1|H<1>}	116.7485	0.307	4	116.4019	1.321	73	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]N[6]C)(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[6]C)(N[6]C[6])(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Fe<6>,1|C<3>,1|H<1>}	115.3917	0.631	7	116.4019	1.321	73	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]N[6]C)(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[6]C)(N[6]C[6])(H){1|Mn<5>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Mn<5>,1|C<3>,1|H<1>}	116.0380	0.000	1	116.4019	1.321	73	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]N[6]C)(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[6]C)(N[6]C[6])(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Mn<6>,1|C<3>,1|H<1>}	117.1806	0.914	10	116.4019	1.321	73	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]N[6]C)(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[6]C)(N[6]C[6])(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Ni<4>,1|C<3>,1|H<1>}	118.3745	2.918	2	116.4019	1.321	73	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]N[6]C)(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[6]C)(N[6]C[6])(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Ni<6>,1|C<3>,1|H<1>}	116.3150	0.507	9	116.4019	1.321	73	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]N[6]C)(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[6]C)(N[6]C[6])(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Pd<4>,1|C<3>,1|H<1>}	116.4375	0.067	2	116.4019	1.321	73	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]N[6]C)(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[6]C)(N[6]C[6])(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Re<6>,1|C<3>,1|H<1>}	114.3575	1.948	2	116.4019	1.321	73	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]N[6]C)(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[6]C)(N[6]C[6])(H){1|Sn<6>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Sn<6>,1|C<3>,1|H<1>}	116.7233	0.235	4	116.4019	1.321	73	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]N[6]C)(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[6]C)(N[6]C[6])(H){1|Sn<7>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Sn<7>,1|C<3>,1|H<1>}	115.6450	0.032	3	116.4019	1.321	73	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]N[6]C)(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[6]C)(N[6]C[6])(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Zn<5>,1|C<3>,1|H<1>}	115.6980	0.000	1	116.4019	1.321	73	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]N[6]C)(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[6]C)(N[6]C[6])(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Zn<6>,1|C<3>,1|H<1>}	116.2495	0.125	4	116.4019	1.321	73	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]N[6]C)(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[6]C)(N[6]C[6])(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Co<6>,1|C<3>,1|H<1>}	116.4677	0.392	4	116.4019	1.321	73	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]N[6]C)(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[6]C)(N[6]C[6])(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Ru<6>,1|C<3>,1|H<1>}	116.0520	0.000	1	116.4019	1.321	73	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]N[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|B<4>,1|C<3>,1|H<1>}	117.8500	0.000	1	116.0190	2.399	49	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]N[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	116.0910	0.599	7	116.0190	2.399	49	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]N[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|C<3>,1|C<5>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|C<3>,1|C<5>,1|H<1>}	115.7310	0.000	1	116.0190	2.399	49	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]N[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|O<1>}	116.1156	0.577	5	116.0190	2.399	49	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]N[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|W<6>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|W<6>}	115.0630	0.000	1	116.0190	2.399	49	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]N[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|C<3>,2|H<1>}	118.5803	1.641	8	116.0190	2.399	49	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]N[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Co<6>,1|C<3>,1|H<1>}	114.6820	0.000	1	116.0190	2.399	49	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]N[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Cu<4>,1|C<3>,1|H<1>}	115.5700	0.000	1	116.0190	2.399	49	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]N[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Cu<5>,1|C<3>,1|H<1>}	113.8160	0.000	1	116.0190	2.399	49	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]N[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Fe<6>,1|C<3>,1|H<1>}	113.8480	0.000	1	116.0190	2.399	49	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]N[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Ga<4>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Ga<4>,1|C<3>,1|H<1>}	114.4390	0.000	1	116.0190	2.399	49	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]N[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Pd<4>,1|C<3>,1|H<1>}	115.2980	0.462	2	116.0190	2.399	49	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]N[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Pt<4>,1|C<3>,1|H<1>}	115.5216	0.669	5	116.0190	2.399	49	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]N[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Pt<6>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Pt<6>,1|C<3>,1|H<1>}	115.7490	0.000	1	116.0190	2.399	49	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]N[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Re<5>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Re<5>,1|C<3>,1|H<1>}	112.9740	0.000	1	116.0190	2.399	49	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]N[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Re<6>,1|C<3>,1|H<1>}	115.6021	0.343	7	116.0190	2.399	49	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]N[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Rh<5>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Rh<5>,1|C<3>,1|H<1>}	115.6930	0.000	1	116.0190	2.399	49	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]N[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Ru<6>,1|C<3>,1|H<1>}	115.2630	0.000	1	116.0190	2.399	49	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]N[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|V<11>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|V<11>,1|C<3>,1|H<1>}	113.7290	0.000	1	116.0190	2.399	49	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]N[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Zn<4>,1|C<3>,1|H<1>}	115.4230	0.000	1	116.0190	2.399	49	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]N[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Zn<5>,1|C<3>,1|H<1>}	115.8230	0.000	1	116.0190	2.399	49	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]N[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]N)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|H<1>,2|N<3>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]N[6]N)(N[6]C[6])(H){1|C<3>,2|H<1>}	117.9648	0.982	6	117.7717	1.065	7	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]N[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]N)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|H<1>,2|N<3>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Cu<6>,1|C<3>,1|H<1>}	C[6](C[6]N[6]N)(N[6]C[6])(H){1|Cu<6>,1|C<3>,1|H<1>}	116.6130	0.000	1	117.7717	1.065	7	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]N[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]S)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|H<1>,1|N<3>,1|S<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]S)(N[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	116.0240	0.000	1	116.0240	0.000	1	116.3094	1.396	211	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:I-1:	N[6](C[6]C[6]H)(C[6]C[6]I)	C[6](C[6]N[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(I)	N[6](C[6]C[6]H)(C[6]C[6]I){1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Co<6>,1|C<3>,1|I<1>}	C[6](C[6]N[6]H)(N[6]C[6])(I){1|Co<6>,1|C<3>,1|H<1>}	115.3710	0.000	1	115.2640	0.023	2	115.2640	0.023	2	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:I-1:	N[6](C[6]C[6]H)(C[6]C[6]I)	C[6](C[6]N[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(I)	N[6](C[6]C[6]H)(C[6]C[6]I){1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Ni<6>,1|C<3>,1|I<1>}	C[6](C[6]N[6]H)(N[6]C[6])(I){1|Ni<6>,1|C<3>,1|H<1>}	115.1570	0.000	1	115.2640	0.023	2	115.2640	0.023	2	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:O-1:	N[6](C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]C)(N[6]C[6])(H)	C[6](C[6]C[6]H)(N[6]C[6])(O)	N[6](C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6])(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6])(O){1|C<3>,2|H<1>}	119.5100	0.000	1	119.5100	0.000	1	119.5100	0.000	1	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	N[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[5]C[6])(N[6]C[6])(H)	C[6](N[6]C[6]Cu)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]N[6]H){1|Cu<6>,1|C<3>,1|C<4>}	C[6](C[6]C[5]C[6])(N[6]C[6])(H){1|Fe<10>,1|N<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6]Cu)(N[6]C[6])(H){1|C<3>,2|H<1>}	115.9490	0.000	1	115.9490	0.000	1	115.9458	0.458	19	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	N[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[5]C[6])(N[6]C[6])(H)	C[6](N[6]C[6]Ni)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]N[6]H){1|Ni<6>,1|C<3>,1|C<4>}	C[6](C[6]C[5]C[6])(N[6]C[6])(H){1|Fe<10>,1|N<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6]Ni)(N[6]C[6])(H){1|C<3>,2|H<1>}	116.2223	0.129	3	116.2223	0.017	3	115.9458	0.458	19	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	N[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[5]C[6])(N[6]C[6])(H)	C[6](N[6]C[6]Zn)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]N[6]H){1|Zn<6>,1|C<3>,1|C<4>}	C[6](C[6]C[5]C[6])(N[6]C[6])(H){1|Fe<10>,1|N<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6]Zn)(N[6]C[6])(H){1|C<3>,2|H<1>}	116.1330	0.000	1	116.1330	0.000	1	115.9458	0.458	19	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	N[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]Br)(N[6]C[6])(H)	C[6](N[6]C[6]Co)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]N[6]H){1|Br<1>,1|Co<6>,1|C<3>}	C[6](C[6]C[6]Br)(N[6]C[6])(H){1|N<3>,2|H<1>}	C[6](N[6]C[6]Co)(N[6]C[6])(H){1|C<3>,2|H<1>}	116.2450	0.000	1	116.2450	0.000	1	115.9458	0.458	19	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	N[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](N[6]C[6]C)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]N[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|N<3>,2|H<1>}	C[6](N[6]C[6]C)(N[6]C[6])(H){1|C<3>,2|H<1>}	116.5460	0.000	1	116.5460	0.000	1	115.9458	0.458	19	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	N[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](N[6]C[6]Co)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]N[6]H){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Co)(N[6]C[6])(H){1|H<1>,2|C<3>}	116.6400	0.000	1	116.6400	0.000	1	115.9458	0.458	19	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	N[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](N[6]C[6]Cu)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]N[6]H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Cu)(N[6]C[6])(H){1|H<1>,2|C<3>}	116.4845	0.132	2	116.4845	0.017	2	115.9458	0.458	19	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	N[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](N[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]N[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|N<3>,2|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(H){1|C<3>,2|H<1>}	115.2233	1.359	3	115.2233	1.847	3	115.9458	0.458	19	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	N[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](N[6]C[6]Ir)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]N[6]H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Ir)(N[6]C[6])(H){1|H<1>,2|C<3>}	116.1640	0.000	1	116.1640	0.000	1	115.9458	0.458	19	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	N[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](N[6]C[6]Li)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]N[6]H){1|Li<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Li)(N[6]C[6])(H){1|H<1>,2|C<3>}	115.7155	0.521	2	115.7155	0.272	2	115.9458	0.458	19	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	N[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](N[6]C[6]U)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]N[6]H){1|U<16>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|N<3>,2|H<1>}	C[6](N[6]C[6]U)(N[6]C[6])(H){1|C<3>,2|H<1>}	115.5370	0.000	1	115.5370	0.000	1	115.9458	0.458	19	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	N[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](N[6]C[6]V)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]N[6]H){1|C<3>,1|H<1>,1|V<7>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]V)(N[6]C[6])(H){1|H<1>,2|C<3>}	115.8060	0.000	1	115.8060	0.000	1	115.9458	0.458	19	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	N[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](N[6]C[6]W)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]N[6]H){1|C<3>,1|H<1>,1|W<7>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|N<3>,2|H<1>}	C[6](N[6]C[6]W)(N[6]C[6])(H){1|C<3>,2|H<1>}	115.2130	0.000	1	115.2130	0.000	1	115.9458	0.458	19	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	N[6]-3:N[6]-2:S-1:	N[6](C[6]C[6]H)(C[6]N[6]S)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](N[6]C[6]H)(N[6]C[6])(S)	N[6](C[6]C[6]H)(C[6]N[6]S){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,1|N<3>,1|S<1>}	C[6](N[6]C[6]H)(N[6]C[6])(S){1|C<3>,2|H<1>}	121.3320	3.074	3	121.3320	9.449	3	121.3320	9.449	3	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:O-1:	N[6]-3:N[6]-2:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)	C[6](C[6]C[5a]C[6])(N[6]C[6])(O)	C[6](N[6]C[5]C[6])(N[6]C[6])(O)	N[6](C[6]C[6]O)(C[6]N[6]O){1|C<4>,2|C<3>}	C[6](C[6]C[5a]C[6])(N[6]C[6])(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6](N[6]C[5]C[6])(N[6]C[6])(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	127.8030	0.000	1	127.8030	0.000	1	126.4038	4.094	14	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:O-1:	N[6]-3:N[6]-2:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)	C[6](C[6]C[6]Br)(N[6]C[6])(O)	C[6](N[6]C[6]C)(N[6]C[6])(O)	N[6](C[6]C[6]O)(C[6]N[6]O){1|Br<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]Br)(N[6]C[6])(O){1|H<1>,1|N<3>,1|O<1>}	C[6](N[6]C[6]C)(N[6]C[6])(O){1|C<3>,1|H<1>,1|O<1>}	128.3320	0.000	1	128.3320	0.000	1	126.4038	4.094	14	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:O-1:	N[6]-3:N[6]-2:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)	C[6](C[6]C[6]C)(N[6]C[6])(O)	C[6](N[6]C[6]C)(N[6]C[6])(O)	N[6](C[6]C[6]O)(C[6]N[6]O){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6])(O){1|H<1>,1|N<3>,1|O<1>}	C[6](N[6]C[6]C)(N[6]C[6])(O){1|C<3>,1|H<1>,1|O<1>}	127.8430	0.000	1	127.8430	0.000	1	126.4038	4.094	14	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:O-1:	N[6]-3:N[6]-2:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)	C[6](C[6]C[6]F)(N[6]C[6])(O)	C[6](N[6]C[6]C)(N[6]C[6])(O)	N[6](C[6]C[6]O)(C[6]N[6]O){1|C<3>,1|C<4>,1|F<1>}	C[6](C[6]C[6]F)(N[6]C[6])(O){1|H<1>,1|N<3>,1|O<1>}	C[6](N[6]C[6]C)(N[6]C[6])(O){1|C<3>,1|H<1>,1|O<1>}	121.8990	0.010	2	121.8990	0.000	2	126.4038	4.094	14	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:O-1:	N[6]-3:N[6]-2:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)	C[6](C[6]C[6]H)(N[6]C[6])(O)	C[6](N[6]C[6]C)(N[6]C[6])(O)	N[6](C[6]C[6]O)(C[6]N[6]O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(O){1|H<1>,1|N<3>,1|O<1>}	C[6](N[6]C[6]C)(N[6]C[6])(O){1|C<3>,1|H<1>,1|O<1>}	126.3430	0.528	2	126.3430	0.278	2	126.4038	4.094	14	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:O-1:	N[6]-3:N[6]-2:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)	C[6](C[6]C[6]H)(N[6]C[6])(O)	C[6](N[6]C[6]H)(N[6]C[6])(O)	N[6](C[6]C[6]O)(C[6]N[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(O){1|C<3>,1|N<3>,1|O<1>}	C[6](N[6]C[6]H)(N[6]C[6])(O){1|O<1>,2|C<3>}	127.6570	0.000	1	127.6570	0.000	1	126.4038	4.094	14	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:O-1:	N[6]-3:N[6]-2:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)	C[6](C[6]C[6]N)(N[6]C[6])(O)	C[6](N[6]C[6]H)(N[6]C[6])(O)	N[6](C[6]C[6]O)(C[6]N[6]O){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]N)(N[6]C[6])(O){1|N<3>,2|O<1>}	C[6](N[6]C[6]H)(N[6]C[6])(O){1|C<3>,2|O<1>}	127.1360	0.281	2	126.9223	0.284	6	126.4038	4.094	14	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:O-1:	N[6]-3:N[6]-2:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)	C[6](C[6]C[6]N)(N[6]C[6])(O)	C[6](N[6]C[6]H)(N[6]C[6])(O)	N[6](C[6]C[6]O)(C[6]N[6]O){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(N[6]C[6])(O){1|N<3>,2|O<1>}	C[6](N[6]C[6]H)(N[6]C[6])(O){1|C<3>,2|O<1>}	126.8155	0.634	4	126.9223	0.284	6	126.4038	4.094	14	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	N[6,6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:Cl-1:	N[6](C[6]N[6,6]H)(C[6]C[6]Cl)	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H)	C[6](C[6]C[6,6]H)(N[6]C[6])(Cl)	N[6](C[6]N[6,6]H)(C[6]C[6]Cl){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H){1|Cl<1>,1|N<3>,2|C<3>,2|F<1>}	C[6](C[6]C[6,6]H)(N[6]C[6])(Cl){1|C<3>,1|H<1>,1|N<3>}	114.3860	0.641	3	114.5858	0.134	13	114.5858	0.134	13	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	N[6,6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:Cl-1:	N[6](C[6]N[6,6]H)(C[6]C[6]Cl)	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H)	C[6](C[6]C[6,6]H)(N[6]C[6])(Cl)	N[6](C[6]N[6,6]H)(C[6]C[6]Cl){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H){1|Cl<1>,1|O<2>,2|C<3>,2|F<1>}	C[6](C[6]C[6,6]H)(N[6]C[6])(Cl){1|C<3>,1|H<1>,1|N<3>}	114.7880	0.130	5	114.5858	0.134	13	114.5858	0.134	13	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	N[6,6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:Cl-1:	N[6](C[6]N[6,6]H)(C[6]C[6]Cl)	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H)	C[6](C[6]C[6,6]H)(N[6]C[6])(Cl)	N[6](C[6]N[6,6]H)(C[6]C[6]Cl){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H){1|Cl<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6,6]H)(N[6]C[6])(Cl){1|C<3>,1|H<1>,1|N<3>}	114.5036	0.300	5	114.5858	0.134	13	114.5858	0.134	13	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:Cl-1:	N[6](C[6]C[6]Cl)(C[6]N[6]H)	C[6](N[6]C[6]Pd)(N[6]C[6])(H)	C[6](C[6]C[6]H)(N[6]C[6])(Cl)	N[6](C[6]C[6]Cl)(C[6]N[6]H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(N[6]C[6])(H){1|Cl<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]H)(N[6]C[6])(Cl){1|C<4>,1|H<1>,1|N<3>}	113.6930	0.000	1	113.6930	0.000	1	113.9850	0.171	2	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:Cl-1:	N[6](C[6]C[6]Cl)(C[6]N[6]H)	C[6](N[6]C[6]Ru)(N[6]C[6])(H)	C[6](C[6]C[6]H)(N[6]C[6])(Cl)	N[6](C[6]C[6]Cl)(C[6]N[6]H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(N[6]C[6])(H){1|Cl<1>,1|C<3>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6])(Cl){1|H<1>,2|N<3>}	114.2770	0.000	1	114.2770	0.000	1	113.9850	0.171	2	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]N[6]H)	C[6](N[6]C[6]Cu)(N[6]C[6])(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]N[6]H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(N[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|N<3>,2|H<1>}	115.2300	0.000	1	115.2300	0.000	1	116.4048	0.812	10	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]N[6]H)	C[6](N[6]C[6]Mn)(N[6]C[6])(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]N[6]H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(N[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|N<3>,2|H<1>}	116.6980	0.000	1	116.6980	0.000	1	116.4048	0.812	10	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]N[6]H)	C[6](N[6]C[6]Pd)(N[6]C[6])(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]N[6]H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(N[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|N<3>,2|H<1>}	115.9883	0.495	4	115.9883	0.245	4	116.4048	0.812	10	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]N[6]H)	C[6](N[6]C[6]Pt)(N[6]C[6])(H)	C[6](C[6]C[6]C)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]N[6]H){1|Pt<4>,2|C<3>}	C[6](N[6]C[6]Pt)(N[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6])(H){1|N<3>,2|H<1>}	116.5907	0.417	3	116.5907	0.174	3	116.4048	0.812	10	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]N[6]H)	C[6](N[6]C[6]Re)(N[6]C[6])(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]N[6]H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(N[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|N<3>,2|H<1>}	118.3950	0.000	1	118.3950	0.000	1	116.4048	0.812	10	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:H-1:	N[6]-3:N[6]-2:H-1:	N[6](C[6]N[6]H)2	C[6](N[6]C[6]Re)(N[6]C[6])(H)	C[6](N[6]C[6]Re)(N[6]C[6])(H)	N[6](C[6]N[6]H)2{2|Re<6>,1|C<3>}	C[6](N[6]C[6]Re)(N[6]C[6])(H){1|N<3>,2|H<1>}	C[6](N[6]C[6]Re)(N[6]C[6])(H){1|N<3>,2|H<1>}	115.7700	0.000	1	115.7700	0.000	1	115.7700	0.000	1	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:O-1:	C[6]-3:N[6]-2:Cl-1:	N[6](C[6]C[6]Cl)(C[6]N[6]O)	C[6](N[6]C[6]H)(N[6]C[6])(O)	C[6](C[6]C[6]C)(N[6]C[6])(Cl)	N[6](C[6]C[6]Cl)(C[6]N[6]O){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(O){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]C)(N[6]C[6])(Cl){1|N<3>,2|O<1>}	116.9417	0.541	4	116.9417	0.293	4	116.7158	0.329	6	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:O-1:	C[6]-3:N[6]-2:Cl-1:	N[6](C[6]C[6]Cl)(C[6]N[6]O)	C[6](N[6]C[6]H)(N[6]C[6])(O)	C[6](C[6]C[6]H)(N[6]C[6])(Cl)	N[6](C[6]C[6]Cl)(C[6]N[6]O){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(O){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6])(Cl){1|N<3>,2|O<1>}	116.2640	0.392	2	116.2640	0.153	2	116.7158	0.329	6	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:O-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]N[6]O)	C[6](N[6]C[6]H)(N[6]C[6])(O)	C[6](C[6]C[6]C)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]N[6]O){1|H<1>,2|C<3>}	C[6](N[6]C[6]H)(N[6]C[6])(O){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(N[6]C[6])(H){1|N<3>,2|O<1>}	123.1650	0.000	1	123.1650	0.000	1	120.3581	6.290	8	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:O-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]N[6]O)	C[6](N[6]C[6]H)(N[6]C[6])(O)	C[6](C[6]C[6]F)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]N[6]O){1|C<3>,1|F<1>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(O){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]F)(N[6]C[6])(H){1|N<3>,2|O<1>}	122.9290	0.000	1	122.9290	0.000	1	120.3581	6.290	8	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:O-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]N[6]O)	C[6](N[6]C[6]H)(N[6]C[6])(O)	C[6](C[6]C[6]N)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]N[6]O){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]H)(N[6]C[6])(O){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]N)(N[6]C[6])(H){1|N<3>,2|O<1>}	117.7220	0.820	3	117.7220	0.672	3	120.3581	6.290	8	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:O-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]N[6]O)	C[6](N[6]C[6]Zn)(N[6]C[6])(O)	C[6](C[6]C[6]C)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]N[6]O){1|Zn<5>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Zn)(N[6]C[6])(O){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(N[6]C[6])(H){1|N<3>,2|O<1>}	120.2755	0.264	2	120.2755	0.070	2	120.3581	6.290	8	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:O-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]N[6]O)	C[6](N[6]C[6]Zn)(N[6]C[6])(O)	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]N[6]O){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(N[6]C[6])(O){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|N<3>,2|O<1>}	123.0540	0.000	1	123.0540	0.000	1	120.3581	6.290	8	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:O-1:	C[6]-3:N[6]-2:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)	C[6](N[6]C[5]C[6])(N[6]C[6])(O)	C[6](C[6]C[6]C)(N[6]C[6])(O)	N[6](C[6]C[6]O)(C[6]N[6]O){1|C<3>,2|C<4>}	C[6](N[6]C[5]C[6])(N[6]C[6])(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6])(O){1|H<1>,1|N<3>,1|O<1>}	126.4920	0.292	5	126.4920	0.085	5	126.4448	0.082	6	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:O-1:	C[6]-3:N[6]-2:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)	C[6](N[6]C[5]C[6])(N[6]C[6])(O)	C[6](C[6]C[6]F)(N[6]C[6])(O)	N[6](C[6]C[6]O)(C[6]N[6]O){1|C<3>,1|C<4>,1|F<1>}	C[6](N[6]C[5]C[6])(N[6]C[6])(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]F)(N[6]C[6])(O){1|H<1>,1|N<3>,1|O<1>}	126.2090	0.000	1	126.2090	0.000	1	126.4448	0.082	6	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:O-1:	N[6]-3:N[6]-2:O-1:	N[6](C[6]N[6]O)2	C[6](N[6]C[6]H)(N[6]C[6])(O)	C[6](N[6]C[6]H)(N[6]C[6])(O)	N[6](C[6]N[6]O)2{1|C<3>,2|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(O){1|N<3>,2|O<1>}	C[6](N[6]C[6]H)(N[6]C[6])(O){1|N<3>,2|O<1>}	119.8864	1.683	10	119.8864	2.834	10	120.3066	4.493	11	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:O-1:	N[6]-3:N[6]-2:O-1:	N[6](C[6]N[6]O)2	C[6](N[6]C[6]Zn)(N[6]C[6])(O)	C[6](N[6]C[6]H)(N[6]C[6])(O)	N[6](C[6]N[6]O)2{1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(N[6]C[6])(O){1|N<3>,2|O<1>}	C[6](N[6]C[6]H)(N[6]C[6])(O){1|N<3>,2|O<1>}	124.5090	0.000	1	124.5090	0.000	1	120.3066	4.493	11	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:S-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]N[6]S)	C[6](N[6]C[6]H)(N[6]C[6])(S)	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]N[6]S){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(S){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|S<1>,2|N<3>}	122.9910	0.000	1	122.9910	0.000	1	122.9910	0.000	1	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:S-1:	N[6]-3:N[6]-2:S-1:	N[6](C[6]N[6]S)2	C[6](N[6]C[6]H)(N[6]C[6])(S)	C[6](N[6]C[6]H)(N[6]C[6])(S)	N[6](C[6]N[6]S)2{1|C<3>,2|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(S){1|N<3>,2|S<1>}	C[6](N[6]C[6]H)(N[6]C[6])(S){1|N<3>,2|S<1>}	120.8198	2.434	9	120.8198	5.925	9	120.8198	5.925	9	117.2533	9.168	338	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:C-2:	N[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(CN)	N[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6])(H){1|Ag<4>,1|C<2>,1|N<3>,2|C<3>}	C[6](C[6]N[6]H)(N[6]C[6])(CN){1|Ag<4>,1|C<3>,1|H<1>}	116.1505	0.216	2	116.1505	0.047	2	116.1505	0.047	2	116.7722	1.596	57	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:S-2:	N[6](C[6]C[6]H)(C[6]C[6]S)	C[6](C[6]N[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]S)(N[6]C[6])(SNi)	N[6](C[6]C[6]H)(C[6]C[6]S){1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]N[6]S)(N[6]C[6])(SNi){1|C<3>,2|H<1>}	118.1595	0.420	4	118.1595	0.176	4	118.1357	0.200	6	116.7722	1.596	57	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:S-2:	N[6](C[6]C[6]H)(C[6]C[6]S)	C[6](C[6]N[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]S)(N[6]C[6])(SPd)	N[6](C[6]C[6]H)(C[6]C[6]S){1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]N[6]S)(N[6]C[6])(SPd){1|C<3>,2|H<1>}	118.5710	0.000	1	118.5710	0.000	1	118.1357	0.200	6	116.7722	1.596	57	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:S-2:	N[6](C[6]C[6]H)(C[6]C[6]S)	C[6](C[6]N[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]S)(N[6]C[6])(SPt)	N[6](C[6]C[6]H)(C[6]C[6]S){1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]N[6]S)(N[6]C[6])(SPt){1|C<3>,2|H<1>}	117.6050	0.000	1	117.6050	0.000	1	118.1357	0.200	6	116.7722	1.596	57	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	N[6]-3:N[6]-2:C-2:	N[6](C[6]C[6]H)(C[6]N[6]C)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](N[6]C[6]C)(N[6]C[6])(CC)	N[6](C[6]C[6]H)(C[6]N[6]C){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<2>,1|H<1>,1|N<3>}	C[6](N[6]C[6]C)(N[6]C[6])(CC){1|C<3>,2|H<1>}	117.5780	0.000	1	117.5780	0.000	1	117.5780	0.000	1	116.7722	1.596	57	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	N[6]-3:N[6]-2:N-2:	N[6](C[6]C[6]H)(C[6]N[6]N)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](N[6]C[6]Cu)(N[6]C[6])(NC)	N[6](C[6]C[6]H)(C[6]N[6]N){1|Cu<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Cu)(N[6]C[6])(NC){1|C<3>,2|H<1>}	117.6590	0.000	1	117.6590	0.000	1	117.2101	0.236	15	116.7722	1.596	57	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	N[6]-3:N[6]-2:N-2:	N[6](C[6]C[6]H)(C[6]N[6]N)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](N[6]C[6]H)(N[6]C[6])(NH)	N[6](C[6]C[6]H)(C[6]N[6]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NH){1|C<3>,2|H<1>}	117.5760	0.658	2	117.5760	0.432	2	117.2101	0.236	15	116.7722	1.596	57	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	N[6]-3:N[6]-2:N-2:	N[6](C[6]C[6]H)(C[6]N[6]N)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](N[6]C[6]H)(N[6]C[6])(NS)	N[6](C[6]C[6]H)(C[6]N[6]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NS){1|C<3>,2|H<1>}	117.1582	0.384	10	117.1582	0.148	10	117.2101	0.236	15	116.7722	1.596	57	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	N[6]-3:N[6]-2:N-2:	N[6](C[6]C[6]H)(C[6]N[6]N)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](N[6]C[6]Zn)(N[6]C[6])(NH)	N[6](C[6]C[6]H)(C[6]N[6]N){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Zn)(N[6]C[6])(NH){1|C<3>,2|H<1>}	116.8790	0.909	2	116.8790	0.827	2	117.2101	0.236	15	116.7722	1.596	57	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	N[6]-3:N[6]-2:O-2:	N[6](C[6]C[6]H)(C[6]N[6]O)	C[6](C[6]C[6]C)(N[6]C[6])(H)	C[6](N[6]C[6]H)(N[6]C[6])(OC)	N[6](C[6]C[6]H)(C[6]N[6]O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6])(H){1|N<3>,1|O<2>,2|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(OC){1|C<3>,3|H<1>}	114.9750	0.000	1	114.9750	0.000	1	114.9500	0.001	2	116.7722	1.596	57	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	N[6]-3:N[6]-2:O-2:	N[6](C[6]C[6]H)(C[6]N[6]O)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](N[6]C[6]Cu)(N[6]C[6])(OC[6a])	N[6](C[6]C[6]H)(C[6]N[6]O){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,1|N<3>,1|O<2>}	C[6](N[6]C[6]Cu)(N[6]C[6])(OC[6a]){1|C<3>,2|H<1>}	114.9250	0.000	1	114.9250	0.000	1	114.9500	0.001	2	116.7722	1.596	57	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	N[6]-3:N[6]-2:S-2:	N[6](C[6]C[6]H)(C[6]N[6]S)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](N[6]C[6]Ag)(N[6]C[6])(SAg)	N[6](C[6]C[6]H)(C[6]N[6]S){1|Ag<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,1|N<3>,1|S<2>}	C[6](N[6]C[6]Ag)(N[6]C[6])(SAg){1|C<3>,2|H<1>}	115.9600	0.000	1	115.9600	0.000	1	116.2902	0.927	22	116.7722	1.596	57	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	N[6]-3:N[6]-2:S-2:	N[6](C[6]C[6]H)(C[6]N[6]S)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](N[6]C[6]Co)(N[6]C[6])(SC)	N[6](C[6]C[6]H)(C[6]N[6]S){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|N<3>,1|S<2>}	C[6](N[6]C[6]Co)(N[6]C[6])(SC){1|H<1>,2|C<3>}	116.6650	0.000	1	116.6650	0.000	1	116.2902	0.927	22	116.7722	1.596	57	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	N[6]-3:N[6]-2:S-2:	N[6](C[6]C[6]H)(C[6]N[6]S)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](N[6]C[6]Co)(N[6]C[6])(SC[6])	N[6](C[6]C[6]H)(C[6]N[6]S){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|N<3>,1|S<2>}	C[6](N[6]C[6]Co)(N[6]C[6])(SC[6]){1|H<1>,2|C<3>}	115.9035	0.186	2	115.9035	0.035	2	116.2902	0.927	22	116.7722	1.596	57	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	N[6]-3:N[6]-2:S-2:	N[6](C[6]C[6]H)(C[6]N[6]S)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](N[6]C[6]Cu)(N[6]C[6])(SS)	N[6](C[6]C[6]H)(C[6]N[6]S){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|N<3>,1|S<2>}	C[6](N[6]C[6]Cu)(N[6]C[6])(SS){1|H<1>,2|C<3>}	115.5830	1.079	2	115.5830	1.164	2	116.2902	0.927	22	116.7722	1.596	57	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	N[6]-3:N[6]-2:S-2:	N[6](C[6]C[6]H)(C[6]N[6]S)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](N[6]C[6]H)(N[6]C[6])(SCu)	N[6](C[6]C[6]H)(C[6]N[6]S){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,1|N<3>,1|S<2>}	C[6](N[6]C[6]H)(N[6]C[6])(SCu){1|C<3>,2|H<1>}	118.0797	0.139	3	118.0797	0.019	3	116.2902	0.927	22	116.7722	1.596	57	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	N[6]-3:N[6]-2:S-2:	N[6](C[6]C[6]H)(C[6]N[6]S)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](N[6]C[6]Ni)(N[6]C[6])(SNi)	N[6](C[6]C[6]H)(C[6]N[6]S){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,1|N<3>,1|S<2>}	C[6](N[6]C[6]Ni)(N[6]C[6])(SNi){1|C<3>,2|H<1>}	116.0545	0.120	6	116.0545	0.015	6	116.2902	0.927	22	116.7722	1.596	57	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	N[6]-3:N[6]-2:S-2:	N[6](C[6]C[6]H)(C[6]N[6]S)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](N[6]C[6]Pd)(N[6]C[6])(SPd)	N[6](C[6]C[6]H)(C[6]N[6]S){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,1|N<3>,1|S<2>}	C[6](N[6]C[6]Pd)(N[6]C[6])(SPd){1|C<3>,2|H<1>}	116.6720	0.651	2	116.6720	0.423	2	116.2902	0.927	22	116.7722	1.596	57	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	N[6]-3:N[6]-2:S-2:	N[6](C[6]C[6]H)(C[6]N[6]S)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](N[6]C[6]Pt)(N[6]C[6])(SPt)	N[6](C[6]C[6]H)(C[6]N[6]S){1|Pt<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,1|N<3>,1|S<2>}	C[6](N[6]C[6]Pt)(N[6]C[6])(SPt){1|C<3>,2|H<1>}	116.9140	0.014	2	116.9140	0.000	2	116.2902	0.927	22	116.7722	1.596	57	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	N[6]-3:N[6]-2:S-2:	N[6](C[6]C[6]H)(C[6]N[6]S)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](N[6]C[6]Sn)(N[6]C[6])(SSn)	N[6](C[6]C[6]H)(C[6]N[6]S){1|Sn<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,1|N<3>,1|S<2>}	C[6](N[6]C[6]Sn)(N[6]C[6])(SSn){1|C<3>,2|H<1>}	115.0163	0.396	3	115.0163	0.156	3	116.2902	0.927	22	116.7722	1.596	57	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:2:	C[6]-3:C[6]-3:	N[6,6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:O-2:	N[6](C[6]N[6,6]H)(C[6]C[6]O)	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H)	C[6](C[6]C[6,6]H)(N[6]C[6])(OC)	N[6](C[6]N[6,6]H)(C[6]C[6]O){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H){1|N<3>,1|O<2>,2|C<3>,2|F<1>}	C[6](C[6]C[6,6]H)(N[6]C[6])(OC){1|C<3>,1|H<1>,1|N<3>}	114.7907	0.068	3	114.7622	0.006	4	114.7622	0.006	4	116.7722	1.596	57	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:2:	C[6]-3:C[6]-3:	N[6,6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:O-2:	N[6](C[6]N[6,6]H)(C[6]C[6]O)	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H)	C[6](C[6]C[6,6]H)(N[6]C[6])(OC)	N[6](C[6]N[6,6]H)(C[6]C[6]O){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H){2|C<3>,2|F<1>,2|O<2>}	C[6](C[6]C[6,6]H)(N[6]C[6])(OC){1|C<3>,1|H<1>,1|N<3>}	114.6770	0.000	1	114.7622	0.006	4	114.7622	0.006	4	116.7722	1.596	57	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:2:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:S-1:	N[6]-3:N[6]-2:S-2:	N[6](C[6]N[6]S)2	C[6](N[6]C[6]C)(N[6]C[6])(S)	C[6](N[6]C[6]C)(N[6]C[6])(SC)	N[6](C[6]N[6]S)2{1|C<3>,2|C<4>}	C[6](N[6]C[6]C)(N[6]C[6])(S){1|N<3>,1|S<1>,1|S<2>}	C[6](N[6]C[6]C)(N[6]C[6])(SC){1|N<3>,2|S<1>}	119.4523	0.373	3	119.4523	0.139	3	118.3676	2.357	5	116.7722	1.596	57	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:2:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:S-1:	N[6]-3:N[6]-2:S-2:	N[6](C[6]N[6]S)2	C[6](N[6]C[6]H)(N[6]C[6])(S)	C[6](N[6]C[6]Zn)(N[6]C[6])(SZn)	N[6](C[6]N[6]S)2{1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(S){1|N<3>,1|S<1>,1|S<2>}	C[6](N[6]C[6]Zn)(N[6]C[6])(SZn){1|N<3>,2|S<1>}	116.3380	0.000	1	116.7405	0.324	2	118.3676	2.357	5	116.7722	1.596	57	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:2:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:S-1:	N[6]-3:N[6]-2:S-2:	N[6](C[6]N[6]S)2	C[6](N[6]C[6]H)(N[6]C[6])(S)	C[6](N[6]C[6]Zn)(N[6]C[6])(SZn)	N[6](C[6]N[6]S)2{1|Zn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(S){1|N<3>,1|S<1>,1|S<2>}	C[6](N[6]C[6]Zn)(N[6]C[6])(SZn){1|N<3>,2|S<1>}	117.1430	0.000	1	116.7405	0.324	2	118.3676	2.357	5	116.7722	1.596	57	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:3:	C[6]-3:C[6]-3:	C[5,6]-3:N[6]-2:Cl-1:	N[6]-3:N[6]-2:N-3:	N[6](C[6]C[5,6]Cl)(C[6]N[6]N)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6])(Cl)	C[6](N[6]C[5,6]Rh)(N[6]C[6])(NHH)	N[6](C[6]C[5,6]Cl)(C[6]N[6]N){1|Rh<5>,1|C<3>,1|N<2>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6])(Cl){1|C<3>,1|N<2>,2|N<3>}	C[6](N[6]C[5,6]Rh)(N[6]C[6])(NHH){1|Cl<1>,1|C<3>,1|N<2>}	117.2300	0.000	1	117.2300	0.000	1	117.2300	0.000	1	116.5153	2.448	44	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:3:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:N-3:	N[6](C[6]C[6]H)(C[6]C[6]N)	C[6](C[6]N[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(NHH)	N[6](C[6]C[6]H)(C[6]C[6]N){1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[6]H)(N[6]C[6])(NHH){1|C<3>,2|H<1>}	117.8425	0.416	2	117.8425	0.173	2	117.8560	0.087	3	116.5153	2.448	44	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:3:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:N-3:	N[6](C[6]C[6]H)(C[6]C[6]N)	C[6](C[6]N[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]S)(N[6]C[6])(NC[6]H)	N[6](C[6]C[6]H)(C[6]C[6]N){1|H<1>,1|N<3>,1|S<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[6]S)(N[6]C[6])(NC[6]H){1|C<3>,2|H<1>}	117.8830	0.000	1	117.8830	0.000	1	117.8560	0.087	3	116.5153	2.448	44	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:3:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:S-3:	N[6](C[6]C[6]H)(C[6]C[6]S)	C[6](C[6]N[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]S)(N[6]C[6])(SFe2)	N[6](C[6]C[6]H)(C[6]C[6]S){1|H<1>,1|N<3>,1|S<3>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|S<3>}	C[6](C[6]N[6]S)(N[6]C[6])(SFe2){1|C<3>,2|H<1>}	115.7880	0.038	2	115.7880	0.001	2	115.7880	0.001	2	116.5153	2.448	44	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:3:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	N[6]-3:N[6]-2:C-3:	N[6](C[6]C[6]H)(C[6]N[6]C)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](N[6]C[6]Co)(N[6]C[6])(CNO)	N[6](C[6]C[6]H)(C[6]N[6]C){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Co)(N[6]C[6])(CNO){1|C<3>,2|H<1>}	116.4961	1.083	8	116.4961	1.172	8	115.8120	0.874	29	116.5153	2.448	44	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:3:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	N[6]-3:N[6]-2:C-3:	N[6](C[6]C[6]H)(C[6]N[6]C)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](N[6]C[6]Co)(N[6]C[6])(COO)	N[6](C[6]C[6]H)(C[6]N[6]C){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Co)(N[6]C[6])(COO){1|C<3>,2|H<1>}	116.0025	0.404	2	116.0025	0.163	2	115.8120	0.874	29	116.5153	2.448	44	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:3:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	N[6]-3:N[6]-2:C-3:	N[6](C[6]C[6]H)(C[6]N[6]C)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](N[6]C[6]Cu)(N[6]C[6])(COO)	N[6](C[6]C[6]H)(C[6]N[6]C){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Cu)(N[6]C[6])(COO){1|C<3>,2|H<1>}	116.0200	0.000	1	116.0200	0.000	1	115.8120	0.874	29	116.5153	2.448	44	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:3:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	N[6]-3:N[6]-2:C-3:	N[6](C[6]C[6]H)(C[6]N[6]C)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](N[6]C[6]Ir)(N[6]C[6])(COO)	N[6](C[6]C[6]H)(C[6]N[6]C){1|Ir<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Ir)(N[6]C[6])(COO){1|C<3>,2|H<1>}	115.9480	0.144	2	115.9480	0.021	2	115.8120	0.874	29	116.5153	2.448	44	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:3:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	N[6]-3:N[6]-2:C-3:	N[6](C[6]C[6]H)(C[6]N[6]C)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](N[6]C[6]Ni)(N[6]C[6])(CNN)	N[6](C[6]C[6]H)(C[6]N[6]C){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Ni)(N[6]C[6])(CNN){1|C<3>,2|H<1>}	115.4064	0.921	12	115.4064	0.848	12	115.8120	0.874	29	116.5153	2.448	44	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:3:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	N[6]-3:N[6]-2:C-3:	N[6](C[6]C[6]H)(C[6]N[6]C)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](N[6]C[6]Ni)(N[6]C[6])(CNO)	N[6](C[6]C[6]H)(C[6]N[6]C){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Ni)(N[6]C[6])(CNO){1|C<3>,2|H<1>}	115.4453	0.345	4	115.4453	0.119	4	115.8120	0.874	29	116.5153	2.448	44	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:3:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	N[6]-3:N[6]-2:S-3:	N[6](C[6]C[6]H)(C[6]N[6]S)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](N[6]C[6]Re)(N[6]C[6])(SOs2)	N[6](C[6]C[6]H)(C[6]N[6]S){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,1|N<3>,1|S<3>}	C[6](N[6]C[6]Re)(N[6]C[6])(SOs2){1|C<3>,2|H<1>}	117.0720	0.000	1	117.0720	0.000	1	117.0720	0.000	1	116.5153	2.448	44	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:3:	C[6]-3:C[6]-3:	N[6,6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:N-3:	N[6](C[6]N[6,6]H)(C[6]C[6]N)	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H)	C[6](C[6]C[6,6]H)(N[6]C[6])(NCC)	N[6](C[6]N[6,6]H)(C[6]C[6]N){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H){1|N<3>,1|O<2>,2|C<3>,2|F<1>}	C[6](C[6]C[6,6]H)(N[6]C[6])(NCC){1|C<3>,1|H<1>,1|N<3>}	116.6060	0.000	1	116.5240	0.013	2	116.5240	0.013	2	116.5153	2.448	44	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:3:	C[6]-3:C[6]-3:	N[6,6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:N-3:	N[6](C[6]N[6,6]H)(C[6]C[6]N)	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H)	C[6](C[6]C[6,6]H)(N[6]C[6])(NCC)	N[6](C[6]N[6,6]H)(C[6]C[6]N){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H){2|C<3>,2|F<1>,2|N<3>}	C[6](C[6]C[6,6]H)(N[6]C[6])(NCC){1|C<3>,1|H<1>,1|N<3>}	116.4420	0.000	1	116.5240	0.013	2	116.5240	0.013	2	116.5153	2.448	44	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:3:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:H-1:	C[6,6]-3:N[6]-2:N-3:	N[6](C[6]C[6,6]N)(C[6]N[6]H)	C[6](N[6]C[6,6]C[5])(N[6]C[6])(H)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6])(NHH)	N[6](C[6]C[6,6]N)(C[6]N[6]H){1|C<4>,2|C<3>}	C[6](N[6]C[6,6]C[5])(N[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6])(NHH){1|H<1>,1|N<3>,1|O<1>,2|N<2>}	116.2260	0.000	1	116.2260	0.000	1	116.2260	0.000	1	116.5153	2.448	44	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:3:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:O-1:	C[6]-3:N[6]-2:N-3:	N[6](C[6]C[6]N)(C[6]N[6]O)	C[6](N[6]C[5]C[6])(N[6]C[6])(O)	C[6](C[6]C[6]C)(N[6]C[6])(NHH)	N[6](C[6]C[6]N)(C[6]N[6]O){1|C<2>,2|C<4>}	C[6](N[6]C[5]C[6])(N[6]C[6])(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]C)(N[6]C[6])(NHH){1|N<3>,1|O<1>}	120.5670	0.000	1	120.5670	0.000	1	119.8810	0.561	5	116.5153	2.448	44	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:3:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:O-1:	C[6]-3:N[6]-2:N-3:	N[6](C[6]C[6]N)(C[6]N[6]O)	C[6](N[6]C[6]C)(N[6]C[6])(O)	C[6](C[6]C[6]N)(N[6]C[6])(NHH)	N[6](C[6]C[6]N)(C[6]N[6]O){1|C<3>,1|C<4>,1|N<2>}	C[6](N[6]C[6]C)(N[6]C[6])(O){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]N)(N[6]C[6])(NHH){1|N<3>,2|O<1>}	120.1480	0.000	1	120.1480	0.000	1	119.8810	0.561	5	116.5153	2.448	44	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:3:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:O-1:	C[6]-3:N[6]-2:N-3:	N[6](C[6]C[6]N)(C[6]N[6]O)	C[6](N[6]C[6]H)(N[6]C[6])(O)	C[6](C[6]C[6]N)(N[6]C[6])(NHH)	N[6](C[6]C[6]N)(C[6]N[6]O){1|C<3>,1|H<1>,1|N<2>}	C[6](N[6]C[6]H)(N[6]C[6])(O){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]N)(N[6]C[6])(NHH){1|N<3>,2|O<1>}	118.6920	0.000	1	119.5633	0.699	3	119.8810	0.561	5	116.5153	2.448	44	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:3:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:O-1:	C[6]-3:N[6]-2:N-3:	N[6](C[6]C[6]N)(C[6]N[6]O)	C[6](N[6]C[6]H)(N[6]C[6])(O)	C[6](C[6]C[6]N)(N[6]C[6])(NHH)	N[6](C[6]C[6]N)(C[6]N[6]O){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]H)(N[6]C[6])(O){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]N)(N[6]C[6])(NHH){1|N<3>,2|O<1>}	119.9990	0.509	2	119.5633	0.699	3	119.8810	0.561	5	116.5153	2.448	44	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:4:	C[6]-3:C[6]-3:	C[6,6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:C-4:	N[6](C[6]C[6,6]H)(C[6]C[6]C)	C[6](C[6,6]N[6,6]C[6])(N[6]C[6])(H)	C[6](C[6]N[6,6]H)(N[6]C[6])(CH3)	N[6](C[6]C[6,6]H)(C[6]C[6]C){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6,6]N[6,6]C[6])(N[6]C[6])(H){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]N[6,6]H)(N[6]C[6])(CH3){1|B<4>,1|C<3>,1|H<1>}	117.7403	0.504	4	117.7403	0.254	4	117.7403	0.254	4	117.5701	2.496	17	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:4:	C[6]-3:C[6]-3:	C[6,6]-3:N[6]-2:O-1:	C[6]-3:N[6]-2:C-4:	N[6](C[6]C[6,6]O)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6])(O)	C[6](C[6]C[6,6]H)(N[6]C[6])(CH3)	N[6](C[6]C[6,6]O)(C[6]C[6]C){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6])(O){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]H)(N[6]C[6])(CH3){1|C<3>,1|N<2>,1|O<1>}	122.6520	0.000	1	122.6520	0.000	1	122.6520	0.000	1	117.5701	2.496	17	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:C-4:	N[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6])(CH3)	N[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6])(H){1|Re<6>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]N[6]H)(N[6]C[6])(CH3){1|Re<6>,1|C<3>,1|H<1>}	116.7410	0.161	2	116.7410	0.026	2	117.8145	1.546	4	117.5701	2.496	17	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:C-4:	N[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]C)(N[6]C[6])(CH3)	N[6](C[6]C[6]C)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]C)(N[6]C[6])(CH3){1|C<3>,2|H<1>}	118.8880	0.045	2	118.8880	0.002	2	117.8145	1.546	4	117.5701	2.496	17	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	N[6]-3:N[6]-2:C-4:	N[6](C[6]C[6]H)(C[6]N[6]C)	C[6](C[6]C[6]Br)(N[6]C[6])(H)	C[6](N[6]C[6]Ru)(N[6]C[6])(CRu2C)	N[6](C[6]C[6]H)(C[6]N[6]C){1|Br<1>,1|Ru<5>,1|C<3>}	C[6](C[6]C[6]Br)(N[6]C[6])(H){1|C<4>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Ru)(N[6]C[6])(CRu2C){1|C<3>,2|H<1>}	117.3435	0.398	2	117.3435	0.158	2	116.6390	0.497	6	117.5701	2.496	17	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	N[6]-3:N[6]-2:C-4:	N[6](C[6]C[6]H)(C[6]N[6]C)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](N[6]C[6]Ni)(N[6]C[6])(CH3)	N[6](C[6]C[6]H)(C[6]N[6]C){1|Ni<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>}	C[6](N[6]C[6]Ni)(N[6]C[6])(CH3){1|H<1>,2|C<3>}	116.6375	0.575	2	116.6375	0.330	2	116.6390	0.497	6	117.5701	2.496	17	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	N[6]-3:N[6]-2:C-4:	N[6](C[6]C[6]H)(C[6]N[6]C)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](N[6]C[6]Zn)(N[6]C[6])(CHHN)	N[6](C[6]C[6]H)(C[6]N[6]C){1|Zn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>}	C[6](N[6]C[6]Zn)(N[6]C[6])(CHHN){1|H<1>,2|C<3>}	115.9360	0.120	2	115.9360	0.014	2	116.6390	0.497	6	117.5701	2.496	17	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:4:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:C-4:	N[6](C[6]C[6]C)(C[6]N[6]H)	C[6](N[6]C[6]Cu)(N[6]C[6])(H)	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	N[6](C[6]C[6]C)(C[6]N[6]H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(N[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|N<3>,2|H<1>}	117.0470	0.000	1	117.0470	0.000	1	116.9930	0.006	2	117.5701	2.496	17	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:4:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:C-4:	N[6](C[6]C[6]C)(C[6]N[6]H)	C[6](N[6]C[6]Ru)(N[6]C[6])(H)	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	N[6](C[6]C[6]C)(C[6]N[6]H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(N[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|N<3>,2|H<1>}	116.9390	0.000	1	116.9390	0.000	1	116.9930	0.006	2	117.5701	2.496	17	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	4:2:1:	C[6]-3:C[6]-3:	C[6,6a]-3:N[6]-2:O-1:	C[6]-4:N[6]-2:O-1:	N[6](C[6]C[6,6a]O)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)	C[6](C[6]C[6,6a]CH)(N[6]C[6])(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]O){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(N[6]C[6])(O){1|O<1>,2|C<3>}	126.5560	0.000	1	126.5560	0.000	1	126.5560	0.000	1	121.4515	52.112	2	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	4:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-4:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(N[6]C[6])(H)	C[6](C[6]C[6a]C[6]Ni)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|Ni<5>,1|C<4>,2|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6])(H){1|Ni<5>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]Ni)(N[6]C[6])(H){2|H<1>,3|C<3>}	116.3470	0.000	1	116.3470	0.000	1	116.3470	0.000	1	121.4515	52.112	2	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:1:	4:2:3:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:O-1:	C[6]-4:N[6]-2:N-3:	N[6](C[6]C[6]N)(C[6]N[6]O)	C[6](N[6]C[6]H)(N[6]C[6])(O)	C[6](C[6]C[6]CC)(N[6]C[6])(NHH)	N[6](C[6]C[6]N)(C[6]N[6]O){1|C<3>,1|H<1>,2|C<4>}	C[6](N[6]C[6]H)(N[6]C[6])(O){1|C<4>,1|N<3>,1|O<1>}	C[6](C[6]C[6]CC)(N[6]C[6])(NHH){1|N<3>,2|O<1>}	120.2210	0.600	2	120.2210	0.360	2	120.2210	0.360	2	120.2210	0.360	2	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	2:2:1:	C[6]-3:C[6]-3:	N[5]-3:N[6]-2:N[6]-2:	N[6]-2:N[6]-2:O-1:	N[6](C[6]N[5]N[6])(C[6]N[6]O)	C[6](N[5]C[5]2)(N[6]C[6])2	C[6](N[6]C[6])2(O)	N[6](C[6]N[5]N[6])(C[6]N[6]O){3|C<3>}	C[6](N[5]C[5]2)(N[6]C[6])2{1|C<3>,1|N<2>,1|O<1>,2|H<1>,2|N<3>}	C[6](N[6]C[6])2(O){1|N<2>,2|N<3>}	114.4770	0.000	2	114.4770	0.000	2	114.4770	0.000	2	116.5992	9.701	4	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	2:2:1:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N[6]-2:	N[6]-2:N[6]-2:O-1:	N[6](C[6]N[6]2)(C[6]N[6]O)	C[6](N[6]C[6]2)(N[6]C[6])2	C[6](N[6]C[6])2(O)	N[6](C[6]N[6]2)(C[6]N[6]O){1|C<3>,2|C<4>}	C[6](N[6]C[6]2)(N[6]C[6])2{1|N<2>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](N[6]C[6])2(O){1|N<2>,2|N<3>}	118.7215	3.330	2	118.7215	11.087	2	118.7215	11.087	2	116.5992	9.701	4	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	2:2:2:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-2:	N[6]-2:N[6]-2:N-2:	N[6](C[6]N[6]N)2	C[6](N[6]C[6]H)(N[6]C[6])(NC)	C[6](N[6]C[6])2(NC)	N[6](C[6]N[6]N)2{1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NC){3|N<2>}	C[6](N[6]C[6])2(NC){1|N<3>,2|N<2>}	116.8410	0.069	2	116.8410	0.005	2	116.1940	0.444	5	115.4104	1.148	11	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	2:2:2:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-2:	N[6]-2:N[6]-2:N-2:	N[6](C[6]N[6]N)2	C[6](N[6]C[6]H)(N[6]C[6])(NH)	C[6](N[6]C[6])2(NH)	N[6](C[6]N[6]N)2{1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NH){1|C<4>,2|N<2>}	C[6](N[6]C[6])2(NH){1|C<4>,1|N<2>,1|N<3>}	116.1350	0.000	1	115.7627	0.188	3	116.1940	0.444	5	115.4104	1.148	11	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	2:2:2:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-2:	N[6]-2:N[6]-2:N-2:	N[6](C[6]N[6]N)2	C[6](N[6]C[6]H)(N[6]C[6])(NH)	C[6](N[6]C[6])2(NH)	N[6](C[6]N[6]N)2{1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NH){3|N<2>}	C[6](N[6]C[6])2(NH){1|N<3>,2|N<2>}	115.5765	0.409	2	115.7627	0.188	3	116.1940	0.444	5	115.4104	1.148	11	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	2:2:2:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:O-2:	N[6]-2:N[6]-2:O-2:	N[6](C[6]N[6]O)2	C[6](N[6]C[6]C)(N[6]C[6])(OC)	C[6](N[6]C[6])2(OC)	N[6](C[6]N[6]O)2{1|C<3>,1|C<4>}	C[6](N[6]C[6]C)(N[6]C[6])(OC){1|N<2>,1|O<2>,1|S<1>}	C[6](N[6]C[6])2(OC){1|N<3>,1|O<2>,1|S<1>}	113.4790	0.000	1	113.4790	0.000	1	114.9987	1.843	3	115.4104	1.148	11	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	2:2:2:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:O-2:	N[6]-2:N[6]-2:O-2:	N[6](C[6]N[6]O)2	C[6](N[6]C[6]F)(N[6]C[6])(OC)	C[6](N[6]C[6])2(OC)	N[6](C[6]N[6]O)2{1|C<3>,1|F<1>}	C[6](N[6]C[6]F)(N[6]C[6])(OC){1|N<2>,2|O<2>}	C[6](N[6]C[6])2(OC){1|N<3>,2|O<2>}	115.7585	0.472	2	115.7585	0.222	2	114.9987	1.843	3	115.4104	1.148	11	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	2:2:2:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:O-2:	N[6]-2:N[6]-2:S-2:	N[6](C[6]N[6]O)(C[6]N[6]S)	C[6](N[6]C[6]C)(N[6]C[6])(OC)	C[6](N[6]C[6])2(SC)	N[6](C[6]N[6]O)(C[6]N[6]S){1|C<3>,1|C<4>}	C[6](N[6]C[6]C)(N[6]C[6])(OC){1|N<2>,1|S<1>,1|S<2>}	C[6](N[6]C[6])2(SC){1|N<3>,1|O<2>,1|S<1>}	114.4545	0.114	2	114.4545	0.013	2	114.4545	0.013	2	115.4104	1.148	11	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	2:2:2:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:S-2:	N[6]-2:N[6]-2:S-2:	N[6](C[6]N[6]S)2	C[6](N[6]C[6]C)(N[6]C[6])(SC)	C[6](N[6]C[6])2(SC)	N[6](C[6]N[6]S)2{1|C<3>,1|C<4>}	C[6](N[6]C[6]C)(N[6]C[6])(SC){1|N<2>,1|S<1>,1|S<2>}	C[6](N[6]C[6])2(SC){1|N<3>,1|S<1>,1|S<2>}	114.6390	0.000	1	114.6390	0.000	1	114.6390	0.000	1	115.4104	1.148	11	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	2:2:3:	C[6]-3:C[6]-3:	N[5a]-3:N[6]-2:N[6]-2:	N[6]-2:N[6]-2:N-3:	N[6](C[6]N[5a]N[6])(C[6]N[6]N)	C[6](N[5a]C[5a]N[5a])(N[6]C[6])(N[6]P[6])	C[6](N[6]C[6])(N[6]P[6])(NCC)	N[6](C[6]N[5a]N[6])(C[6]N[6]N){1|C<3>,1|N<2>,1|P<4>}	C[6](N[5a]C[5a]N[5a])(N[6]C[6])(N[6]P[6]){1|C<4>,1|N<2>,2|C<3>,3|N<3>}	C[6](N[6]C[6])(N[6]P[6])(NCC){1|N<2>,3|N<3>}	118.0090	0.000	1	118.0090	0.000	1	118.0090	0.000	1	115.7555	5.158	8	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	2:2:3:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-2:	N[6]-2:N[6]-2:N-3:	N[6](C[6]N[6]N)2	C[6](N[6]C[6]H)(N[6]C[6])(NH)	C[6](N[6]C[6])2(NHH)	N[6](C[6]N[6]N)2{1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NH){1|C<4>,1|N<2>,1|N<3>}	C[6](N[6]C[6])2(NHH){1|C<4>,1|N<2>,1|N<3>}	117.0500	0.000	1	116.2345	1.330	2	116.2345	1.330	2	115.7555	5.158	8	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	2:2:3:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-2:	N[6]-2:N[6]-2:N-3:	N[6](C[6]N[6]N)2	C[6](N[6]C[6]H)(N[6]C[6])(NH)	C[6](N[6]C[6])2(NHH)	N[6](C[6]N[6]N)2{1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NH){1|N<2>,2|N<3>}	C[6](N[6]C[6])2(NHH){1|N<2>,2|N<3>}	115.4190	0.000	1	116.2345	1.330	2	116.2345	1.330	2	115.7555	5.158	8	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	2:2:3:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N[6]-2:	N[6]-2:N[6]-2:N-3:	N[6](C[6]N[6]2)(C[6]N[6]N)	C[6](N[6]C[6]2)(N[6]C[6])(N[6]P[6])	C[6](N[6]C[6])(N[6]P[6])(NCC)	N[6](C[6]N[6]2)(C[6]N[6]N){1|P<4>,2|C<4>}	C[6](N[6]C[6]2)(N[6]C[6])(N[6]P[6]){2|Cl<1>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	C[6](N[6]C[6])(N[6]P[6])(NCC){2|Cl<1>,1|N<2>,1|N<3>}	119.5590	0.000	1	119.5590	0.000	1	119.5590	0.000	1	115.7555	5.158	8	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	2:2:3:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:O-2:	N[6]-2:N[6]-2:N-3:	N[6](C[6]N[6]N)(C[6]N[6]O)	C[6](N[6]C[6]Co)(N[6]C[6])(OC)	C[6](N[6]C[6])2(NCN)	N[6](C[6]N[6]N)(C[6]N[6]O){1|Co<6>,1|C<3>}	C[6](N[6]C[6]Co)(N[6]C[6])(OC){1|N<2>,2|N<3>}	C[6](N[6]C[6])2(NCN){1|O<2>,2|N<3>}	113.1730	0.000	1	113.1730	0.000	1	113.2210	0.005	2	115.7555	5.158	8	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	2:2:3:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:O-2:	N[6]-2:N[6]-2:N-3:	N[6](C[6]N[6]N)(C[6]N[6]O)	C[6](N[6]C[6]Cu)(N[6]C[6])(OC)	C[6](N[6]C[6])2(NC[6a]2)	N[6](C[6]N[6]N)(C[6]N[6]O){1|Cu<5>,1|C<3>}	C[6](N[6]C[6]Cu)(N[6]C[6])(OC){1|N<2>,2|N<3>}	C[6](N[6]C[6])2(NC[6a]2){1|O<2>,2|N<3>}	113.2690	0.000	1	113.2690	0.000	1	113.2210	0.005	2	115.7555	5.158	8	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	2:2:3:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:S-2:	N[6]-2:N[6]-2:N-3:	N[6](C[6]N[6]N)(C[6]N[6]S)	C[6](N[6]C[6]H)(N[6]C[6])(SC)	C[6](N[6]C[6])2(NCH)	N[6](C[6]N[6]N)(C[6]N[6]S){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(SC){1|N<2>,2|N<3>}	C[6](N[6]C[6])2(NCH){1|S<2>,2|N<3>}	114.7825	0.155	2	114.7825	0.024	2	114.7825	0.024	2	115.7555	5.158	8	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	2:2:4:	C[6]-3:C[6]-3:	C[6a]-3:N[6]-2:N[6]-2:	N[6]-2:N[6]-2:C-4:	N[6](C[6]C[6a]N[6])(C[6]N[6]C)	C[6](C[6a]C[6a]2)(N[6]C[6])(N[6]S[6])	C[6](N[6]C[6])(N[6]S[6])(CF3)	N[6](C[6]C[6a]N[6])(C[6]N[6]C){1|S<2>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6])(N[6]S[6]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](N[6]C[6])(N[6]S[6])(CF3){1|C<3>,1|N<2>}	117.3141	0.292	8	117.3141	0.085	8	117.3141	0.085	8	116.7104	0.825	15	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	2:2:4:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-2:	N[6]-2:N[6]-2:C-4:	N[6](C[6]N[6]C)(C[6]N[6]N)	C[6](N[6]C[6]Co)(N[6]C[6])(NP)	C[6](N[6]C[6])2(CH3)	N[6](C[6]N[6]C)(C[6]N[6]N){1|Co<5>,1|C<3>}	C[6](N[6]C[6]Co)(N[6]C[6])(NP){1|C<4>,2|N<2>}	C[6](N[6]C[6])2(CH3){1|N<3>,2|N<2>}	115.3985	0.512	4	115.3985	0.262	4	116.0204	0.783	7	116.7104	0.825	15	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	2:2:4:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-2:	N[6]-2:N[6]-2:C-4:	N[6](C[6]N[6]C)(C[6]N[6]N)	C[6](N[6]C[6]Ni)(N[6]C[6])(NP)	C[6](N[6]C[6])2(CH3)	N[6](C[6]N[6]C)(C[6]N[6]N){1|Ni<4>,1|C<3>}	C[6](N[6]C[6]Ni)(N[6]C[6])(NP){1|C<4>,1|N<2>,1|N<3>}	C[6](N[6]C[6])2(CH3){1|N<2>,2|N<3>}	116.6290	0.085	2	116.6290	0.007	2	116.0204	0.783	7	116.7104	0.825	15	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	2:2:4:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-2:	N[6]-2:N[6]-2:C-4:	N[6](C[6]N[6]C)(C[6]N[6]N)	C[6](N[6]C[6a]C[6])(N[6]C[6])(NC[6a])	C[6](N[6]C[6])2(CCHH)	N[6](C[6]N[6]C)(C[6]N[6]N){2|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6])(NC[6a]){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6])2(CCHH){1|N<2>,2|N<3>}	117.2910	0.000	1	117.2910	0.000	1	116.0204	0.783	7	116.7104	0.825	15	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:1:	C[6]-3:C[6]-3:	C[5a,6]-3:N[6]-2:N-2:	N[6]-3:N[6]-2:H-1:	N[6](C[6]C[5a,6]N)(C[6]N[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NC)	C[6](N[6]C[5a,6]H)(N[6]C[6])(H)	N[6](C[6]C[5a,6]N)(C[6]N[6]H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NC){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[5a,6]H)(N[6]C[6])(H){1|C<3>,2|N<2>}	119.3260	0.000	1	119.3260	0.000	1	119.6513	0.091	3	116.5124	3.017	27	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:1:	C[6]-3:C[6]-3:	C[5a,6]-3:N[6]-2:N-2:	N[6]-3:N[6]-2:H-1:	N[6](C[6]C[5a,6]N)(C[6]N[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NH)	C[6](N[6]C[5a,6]H)(N[6]C[6])(H)	N[6](C[6]C[5a,6]N)(C[6]N[6]H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NH){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[5a,6]H)(N[6]C[6])(H){1|C<3>,2|N<2>}	119.7050	0.000	1	119.7050	0.000	1	119.6513	0.091	3	116.5124	3.017	27	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:1:	C[6]-3:C[6]-3:	C[5a,6]-3:N[6]-2:N-2:	N[6]-3:N[6]-2:H-1:	N[6](C[6]C[5a,6]N)(C[6]N[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NH)	C[6](N[6]C[5a,6]Ir)(N[6]C[6])(H)	N[6](C[6]C[5a,6]N)(C[6]N[6]H){1|Ir<6>,1|C<3>,1|N<2>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NH){1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[5a,6]Ir)(N[6]C[6])(H){1|C<3>,1|N<2>,1|N<3>}	119.9230	0.000	1	119.9230	0.000	1	119.6513	0.091	3	116.5124	3.017	27	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:1:	C[6]-3:C[6]-3:	C[5a]-3:N[6]-2:N[6]-2:	C[6,6a]-3:N[6]-2:O-1:	N[6](C[6]C[5a]N[6])(C[6]C[6,6a]O)	C[6](C[5a]C[5a]2)(N[6]C[6,6a])(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)	N[6](C[6]C[5a]N[6])(C[6]C[6,6a]O){4|C<3>}	C[6](C[5a]C[5a]2)(N[6]C[6,6a])(N[6]C[6]){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O){1|H<1>,1|N<2>,3|C<3>}	119.0810	0.000	1	119.0810	0.000	1	119.0810	0.000	1	116.5124	3.017	27	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:1:	C[6]-3:C[6]-3:	C[6,6a]-3:N[6]-2:N-2:	N[6]-3:N[6]-2:H-1:	N[6](C[6]C[6,6a]N)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NC[6a])	C[6](N[6]C[6,6a]H)(N[6]C[6])(H)	N[6](C[6]C[6,6a]N)(C[6]N[6]H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NC[6a]){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]H)(N[6]C[6])(H){1|N<2>,2|C<3>}	117.0680	0.000	1	117.0680	0.000	1	117.5635	0.491	2	116.5124	3.017	27	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:1:	C[6]-3:C[6]-3:	C[6,6a]-3:N[6]-2:N-2:	N[6]-3:N[6]-2:H-1:	N[6](C[6]C[6,6a]N)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NN)	C[6](N[6]C[6,6a]H)(N[6]C[6])(H)	N[6](C[6]C[6,6a]N)(C[6]N[6]H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NN){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]H)(N[6]C[6])(H){1|N<2>,2|C<3>}	118.0590	0.000	1	118.0590	0.000	1	117.5635	0.491	2	116.5124	3.017	27	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-2:	N[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]C)(C[6]N[6]H)	C[6](C[6]C[6]N)(N[6]C[6])(CN)	C[6](N[6]C[6]O)(N[6]C[6])(H)	N[6](C[6]C[6]C)(C[6]N[6]H){1|C<3>,1|N<3>,1|O<2>}	C[6](C[6]C[6]N)(N[6]C[6])(CN){1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]O)(N[6]C[6])(H){1|C<2>,1|C<3>,1|N<2>}	116.2400	0.000	1	116.2400	0.000	1	116.2400	0.000	1	116.5124	3.017	27	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:N-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]C[6]N)	C[6](C[6]N[6]H)(N[6]C[6])(NC)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]C[6]N){1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(NC){1|Cu<6>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Cu<6>,1|C<3>,1|N<2>}	115.8830	0.000	1	116.1133	0.040	3	116.1133	0.040	3	116.5124	3.017	27	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:N-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]C[6]N)	C[6](C[6]N[6]H)(N[6]C[6])(NC)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]C[6]N){1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(NC){1|Mn<6>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Mn<6>,1|C<3>,1|N<2>}	116.2210	0.000	1	116.1133	0.040	3	116.1133	0.040	3	116.5124	3.017	27	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:N-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]C[6]N)	C[6](C[6]N[6]H)(N[6]C[6])(NC)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]C[6]N){1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(NC){1|Zn<6>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Zn<6>,1|C<3>,1|N<2>}	116.2360	0.000	1	116.1133	0.040	3	116.1133	0.040	3	116.5124	3.017	27	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:N[6]-2:	C[6,6a]-3:N[6]-2:O-1:	N[6](C[6]C[6,6a]O)(C[6]C[6]N[6])	C[6](C[6]N[6,6]C[6])(N[6]C[6,6a])(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]N[6]){1|N<3>,3|C<3>}	C[6](C[6]N[6,6]C[6])(N[6]C[6,6a])(N[6]C[6]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O){1|H<1>,1|N<2>,3|C<3>}	117.8070	0.000	1	117.8070	0.000	1	117.8070	0.000	1	116.5124	3.017	27	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:O-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]N[6]H)(N[6]C[6])(OC)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]C[6]O){1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(OC){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Co<6>,1|C<3>,1|O<2>}	115.1500	0.000	1	115.1855	0.003	2	115.1855	0.003	2	116.5124	3.017	27	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:O-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]N[6]H)(N[6]C[6])(OC)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]C[6]O){1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(OC){1|Mn<6>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Mn<6>,1|C<3>,1|O<2>}	115.2210	0.000	1	115.1855	0.003	2	115.1855	0.003	2	116.5124	3.017	27	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:S-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]C[6]S)	C[6](C[6]C[6]S)(N[6]C[6])(SNi)	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]C[6]S){1|C<2>,1|H<1>,1|S<2>}	C[6](C[6]C[6]S)(N[6]C[6])(SNi){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|S<2>}	117.8380	0.000	1	117.8380	0.000	1	116.6737	1.268	3	116.5124	3.017	27	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:S-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]C[6]S)	C[6](C[6]N[6]H)(N[6]C[6])(SC)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]C[6]S){1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(SC){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Co<6>,1|C<3>,1|S<2>}	115.5900	0.000	1	115.5900	0.000	1	116.6737	1.268	3	116.5124	3.017	27	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:S-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]C[6]S)	C[6](C[6]N[6]H)(N[6]C[6])(SC[6a])	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]C[6]S){1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(SC[6a]){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Fe<6>,1|C<3>,1|S<2>}	116.5930	0.000	1	116.5930	0.000	1	116.6737	1.268	3	116.5124	3.017	27	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:1:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-2:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6])(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6])(N[6]C[6]){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<2>,2|C<3>}	117.6760	0.000	1	117.6760	0.000	1	117.6760	0.000	1	116.5124	3.017	27	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:1:	C[6]-3:C[6]-3:	N[5]-3:N[6]-2:N[6]-2:	N[6]-3:N[6]-2:O-1:	N[6](C[6]N[5]N[6])(C[6]N[6]O)	C[6](N[5]C[5]2)(N[6]C[6])2	C[6](N[6]C[6]H)(N[6]C[6])(O)	N[6](C[6]N[5]N[6])(C[6]N[6]O){1|H<1>,3|C<3>}	C[6](N[5]C[5]2)(N[6]C[6])2{1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[6](N[6]C[6]H)(N[6]C[6])(O){1|N<2>,1|N<3>,1|O<1>}	113.9060	0.348	4	113.9060	0.121	4	113.9060	0.121	4	116.5124	3.017	27	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:1:	C[6]-3:C[6]-3:	N[6,6]-3:N[6]-2:O-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]N[6,6]O)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(OC)	C[6](C[6]C[6,6]H)(N[6]C[6])(H)	N[6](C[6]N[6,6]O)(C[6]C[6]H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(OC){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	C[6](C[6]C[6,6]H)(N[6]C[6])(H){1|C<3>,1|N<3>,1|O<2>}	116.1900	0.000	1	116.1900	0.000	1	116.1900	0.000	1	116.5124	3.017	27	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:C[6]-2:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]N[6])(C[6]C[6]H)	C[6](N[6]C[6]2)(C[6]C[6])(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]N[6])(C[6]C[6]H){1|C<3>,1|H<1>,2|C<4>}	C[6](N[6]C[6]2)(C[6]C[6])(N[6]C[6]){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<2>,1|H<1>,1|N<3>}	115.8860	0.000	1	115.8860	0.000	1	115.8860	0.000	1	116.5124	3.017	27	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N[6]-2:	C[6]-3:N[6]-2:O-1:	N[6](C[6]C[6]O)(C[6]N[6]2)	C[6](N[6]C[6]2)(N[6]C[6])2	C[6](C[6]C[6]N)(N[6]C[6])(O)	N[6](C[6]C[6]O)(C[6]N[6]2){1|C<3>,1|N<2>,2|C<4>}	C[6](N[6]C[6]2)(N[6]C[6])2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6]C[6]N)(N[6]C[6])(O){1|N<2>,2|N<3>}	116.8360	0.000	1	116.8360	0.000	1	116.8360	0.000	1	116.5124	3.017	27	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:S-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]N[6]S)	C[6](N[6]C[6]H)(N[6]C[6])(SCu)	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]N[6]S){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(SCu){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|N<3>,2|S<2>}	115.6840	0.236	2	115.6840	0.056	2	115.6840	0.056	2	116.5124	3.017	27	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:S-2:	N[6]-3:N[6]-2:S-1:	N[6](C[6]N[6]S)2	C[6](N[6]C[6]Zn)(N[6]C[6])(SZn)	C[6](N[6]C[6]Zn)(N[6]C[6])(S)	N[6](C[6]N[6]S)2{2|Zn<5>,1|C<3>}	C[6](N[6]C[6]Zn)(N[6]C[6])(SZn){1|N<3>,1|S<1>,1|S<2>}	C[6](N[6]C[6]Zn)(N[6]C[6])(S){1|N<3>,2|S<2>}	116.3150	0.000	1	116.3150	0.000	1	116.3150	0.000	1	116.5124	3.017	27	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:N[6]-2:	C[6]-3:N[6]-2:N[6]-2:	N[6](C[6]C[6]N[6])2	C[6](C[6]C[6]N[6])(N[6]C[6])(N[6]S[6])	C[6](C[6]C[6]N[6])(N[6]C[6])(N[6]S[6])	N[6](C[6]C[6]N[6])2{1|S<3>,2|C<3>,2|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6])(N[6]S[6]){1|Br<1>,1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6])(N[6]S[6]){1|Br<1>,1|N<2>,2|H<1>,3|C<3>}	117.8940	0.000	1	117.8940	0.000	1	117.8940	0.000	1	116.9215	8.112	35	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:O-2:	C[6]-3:N[6]-2:O-2:	N[6](C[6]C[6]O)2	C[6](C[6]N[6]H)(N[6]C[6])(OC[6a])	C[6](C[6]N[6]H)(N[6]C[6])(OC[6a])	N[6](C[6]C[6]O)2{1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(OC[6a]){1|Cu<5>,1|C<3>,1|O<2>}	C[6](C[6]N[6]H)(N[6]C[6])(OC[6a]){1|Cu<5>,1|C<3>,1|O<2>}	115.7060	0.816	3	115.7060	0.666	3	115.7060	0.666	3	116.9215	8.112	35	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:O-2:	N[6]-3:N[6]-2:O-2:	N[6](C[6]C[6]O)(C[6]N[6]O)	C[6](C[6]C[6]2)(N[6]C[6])(OC)	C[6](N[6]C[6]H)(N[6]C[6])(OC)	N[6](C[6]C[6]O)(C[6]N[6]O){1|H<1>,2|C<3>}	C[6](C[6]C[6]2)(N[6]C[6])(OC){1|Ir<6>,1|C<3>,1|O<2>,2|N<3>}	C[6](N[6]C[6]H)(N[6]C[6])(OC){1|Ir<6>,1|C<3>,1|O<2>}	114.6490	0.000	1	114.6490	0.000	1	114.6490	0.000	1	116.9215	8.112	35	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:O-2:	N[6]-3:N[6]-2:S-2:	N[6](C[6]C[6]O)(C[6]N[6]S)	C[6](C[6]C[6]H)(N[6]C[6])(OC)	C[6](N[6]C[6]H)(N[6]C[6])(SC)	N[6](C[6]C[6]O)(C[6]N[6]S){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(OC){1|N<3>,1|O<2>,1|S<2>}	C[6](N[6]C[6]H)(N[6]C[6])(SC){1|C<3>,2|O<2>}	116.8380	0.000	1	116.8380	0.000	1	116.8725	0.002	2	116.9215	8.112	35	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:O-2:	N[6]-3:N[6]-2:S-2:	N[6](C[6]C[6]O)(C[6]N[6]S)	C[6](C[6]C[6]H)(N[6]C[6])(OH)	C[6](N[6]C[6]H)(N[6]C[6])(SC)	N[6](C[6]C[6]O)(C[6]N[6]S){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(OH){1|C<4>,1|N<3>,1|S<2>}	C[6](N[6]C[6]H)(N[6]C[6])(SC){1|C<3>,1|C<4>,1|O<2>}	116.9070	0.000	1	116.9070	0.000	1	116.8725	0.002	2	116.9215	8.112	35	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:2:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-2:N[6]-2:	C[6a]-3:N[6]-2:N[6]-2:	N[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6])(N[6]C[6])	C[6](C[6a]C[6a]2)(N[6]C[6])2	N[6](C[6]C[6a]C[6])(C[6]C[6a]N[6]){5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6])(N[6]C[6]){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6])2{1|C<2>,2|H<1>,4|C<3>}	117.6860	0.000	1	117.6860	0.000	1	117.2730	0.341	2	116.9215	8.112	35	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:2:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-2:N[6]-2:	C[6a]-3:N[6]-2:N[6]-2:	N[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])	C[6](C[6a]C[6a]N[6a])(C[6]C[6])(N[6]C[6])	C[6](C[6a]C[6a]2)(N[6]C[6])2	N[6](C[6]C[6a]C[6])(C[6]C[6a]N[6]){1|N<2>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6])(N[6]C[6]){1|H<1>,1|N<2>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6])2{1|C<2>,2|H<1>,4|C<3>}	116.8600	0.000	1	116.8600	0.000	1	117.2730	0.341	2	116.9215	8.112	35	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:2:	C[6]-3:C[6]-3:	C[6a]-3:N[6]-2:N[6]-2:	C[6a]-3:N[6]-2:N[6]-2:	N[6](C[6]C[6a]N[6])2	C[6](C[6a]C[6a]2)(N[6]C[6])(N[6]S[6])	C[6](C[6a]C[6a]2)(N[6]C[6])(N[6]S[6])	N[6](C[6]C[6a]N[6])2{1|S<2>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6])(N[6]S[6]){1|F<1>,1|H<1>,1|N<2>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6])(N[6]S[6]){1|F<1>,1|H<1>,1|N<2>,3|C<3>}	122.4420	0.000	1	120.0658	5.729	5	118.8857	3.825	12	116.9215	8.112	35	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:2:	C[6]-3:C[6]-3:	C[6a]-3:N[6]-2:N[6]-2:	C[6a]-3:N[6]-2:N[6]-2:	N[6](C[6]C[6a]N[6])2	C[6](C[6a]C[6a]2)(N[6]C[6])(N[6]S[6])	C[6](C[6a]C[6a]2)(N[6]C[6])(N[6]S[6])	N[6](C[6]C[6a]N[6])2{1|S<2>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6])(N[6]S[6]){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6])(N[6]S[6]){1|N<2>,2|H<1>,3|C<3>}	121.4450	0.287	2	120.0658	5.729	5	118.8857	3.825	12	116.9215	8.112	35	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:2:	C[6]-3:C[6]-3:	C[6a]-3:N[6]-2:N[6]-2:	C[6a]-3:N[6]-2:N[6]-2:	N[6](C[6]C[6a]N[6])2	C[6](C[6a]C[6a]2)(N[6]C[6])(N[6]S[6])	C[6](C[6a]C[6a]2)(N[6]C[6])(N[6]S[6])	N[6](C[6]C[6a]N[6])2{1|S<3>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6])(N[6]S[6]){1|Cr<9>,1|N<2>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6])(N[6]S[6]){1|Cr<9>,1|N<2>,2|H<1>,3|C<3>}	117.1810	0.000	1	120.0658	5.729	5	118.8857	3.825	12	116.9215	8.112	35	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:2:	C[6]-3:C[6]-3:	C[6a]-3:N[6]-2:N[6]-2:	C[6a]-3:N[6]-2:N[6]-2:	N[6](C[6]C[6a]N[6])2	C[6](C[6a]C[6a]2)(N[6]C[6])(N[6]S[6])	C[6](C[6a]C[6a]2)(N[6]C[6])(N[6]S[6])	N[6](C[6]C[6a]N[6])2{1|S<4>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6])(N[6]S[6]){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6])(N[6]S[6]){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	117.8160	0.000	1	120.0658	5.729	5	118.8857	3.825	12	116.9215	8.112	35	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:2:	C[6]-3:C[6]-3:	C[6a]-3:N[6]-2:N[6]-2:	C[6a]-3:N[6]-2:N[6]-2:	N[6](C[6]C[6a]N[6])2	C[6](C[6a]C[6a]2)(N[6]C[6])2	C[6](C[6a]C[6a]2)(N[6]C[6])2	N[6](C[6]C[6a]N[6])2{1|C<2>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6])2{1|N<2>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6])2{1|N<2>,2|H<1>,3|C<3>}	115.9530	0.000	1	115.9530	0.000	1	118.8857	3.825	12	116.9215	8.112	35	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:2:	C[6]-3:C[6]-3:	C[6a]-3:N[6]-2:N[6]-2:	C[6a]-3:N[6]-2:N[6]-2:	N[6](C[6]C[6a]N[6])2	C[6](C[6a]C[6a]N[6a])(N[6]C[6])(N[6]S[6])	C[6](C[6a]C[6a]N[6a])(N[6]C[6])(N[6]S[6])	N[6](C[6]C[6a]N[6])2{1|S<2>,2|C<3>,2|N<2>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6])(N[6]S[6]){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6])(N[6]S[6]){1|H<1>,1|N<2>,3|C<3>}	118.4117	0.613	4	118.3912	0.426	6	118.8857	3.825	12	116.9215	8.112	35	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:2:	C[6]-3:C[6]-3:	C[6a]-3:N[6]-2:N[6]-2:	C[6a]-3:N[6]-2:N[6]-2:	N[6](C[6]C[6a]N[6])2	C[6](C[6a]C[6a]N[6a])(N[6]C[6])(N[6]S[6])	C[6](C[6a]C[6a]N[6a])(N[6]C[6])(N[6]S[6])	N[6](C[6]C[6a]N[6])2{1|S<3>,2|C<3>,2|N<2>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6])(N[6]S[6]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6])(N[6]S[6]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	118.3500	0.998	2	118.3912	0.426	6	118.8857	3.825	12	116.9215	8.112	35	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:2:	C[6]-3:C[6]-3:	C[6a]-3:N[6]-2:N[6]-2:	N[6]-3:N[6]-2:N-2:	N[6](C[6]C[6a]N[6])(C[6]N[6]N)	C[6](C[6a]C[6a]2)(N[6]C[6])2	C[6](N[6]C[6]Co)(N[6]C[6])(NP)	N[6](C[6]C[6a]N[6])(C[6]N[6]N){1|Co<5>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6])2{1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[6](N[6]C[6]Co)(N[6]C[6])(NP){1|C<3>,1|N<2>,1|N<3>}	114.6450	0.000	1	115.4263	1.210	3	115.4008	0.809	4	116.9215	8.112	35	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:2:	C[6]-3:C[6]-3:	C[6a]-3:N[6]-2:N[6]-2:	N[6]-3:N[6]-2:N-2:	N[6](C[6]C[6a]N[6])(C[6]N[6]N)	C[6](C[6a]C[6a]2)(N[6]C[6])2	C[6](N[6]C[6]Co)(N[6]C[6])(NP)	N[6](C[6]C[6a]N[6])(C[6]N[6]N){1|Co<5>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6])2{1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[6](N[6]C[6]Co)(N[6]C[6])(NP){1|C<3>,2|N<2>}	115.8170	1.226	2	115.4263	1.210	3	115.4008	0.809	4	116.9215	8.112	35	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:2:	C[6]-3:C[6]-3:	C[6a]-3:N[6]-2:N[6]-2:	N[6]-3:N[6]-2:N-2:	N[6](C[6]C[6a]N[6])(C[6]N[6]N)	C[6](C[6a]C[6a]2)(N[6]C[6])2	C[6](N[6]C[6]Ir)(N[6]C[6])(NP)	N[6](C[6]C[6a]N[6])(C[6]N[6]N){1|Ir<5>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6])2{1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[6](N[6]C[6]Ir)(N[6]C[6])(NP){1|C<3>,1|N<2>,1|N<3>}	115.3240	0.000	1	115.3240	0.000	1	115.4008	0.809	4	116.9215	8.112	35	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:2:	C[6]-3:C[6]-3:	C[6a]-3:N[6]-2:O[6]-2:	N[6]-3:N[6]-2:N[6]-2:	N[6](C[6]C[6a]O[6])(C[6]N[6]2)	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6])	C[6](N[6]C[6]2)(N[6]C[6])2	N[6](C[6]C[6a]O[6])(C[6]N[6]2){2|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6]){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[6](N[6]C[6]2)(N[6]C[6])2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	116.9690	0.000	1	116.9690	0.000	1	116.9690	0.000	1	116.9215	8.112	35	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:2:	C[6]-3:C[6]-3:	N[5]-3:N[6]-2:N[6]-2:	N[5]-3:N[6]-2:N[6]-2:	N[6](C[6]N[5]N[6])2	C[6](N[5]C[5]2)(N[6]C[6])2	C[6](N[5]C[5]2)(N[6]C[6])2	N[6](C[6]N[5]N[6])2{5|C<3>}	C[6](N[5]C[5]2)(N[6]C[6])2{1|C<3>,1|N<2>,1|O<1>,2|H<1>,2|N<3>}	C[6](N[5]C[5]2)(N[6]C[6])2{1|C<3>,1|N<2>,1|O<1>,2|H<1>,2|N<3>}	109.6430	0.000	2	109.6430	0.000	2	109.6430	0.000	2	116.9215	8.112	35	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:2:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-2:	C[6a]-3:N[6]-2:N[6]-2:	N[6](C[6]C[6a]N[6])(C[6]N[6]N)	C[6](N[6]C[6a]C[6])(N[6]C[6])(NC[6a])	C[6](C[6a]C[6a]2)(N[6]C[6])2	N[6](C[6]C[6a]N[6])(C[6]N[6]N){4|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6])(NC[6a]){1|N<2>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6])2{1|N<2>,2|C<3>,2|H<1>,2|N<3>}	117.1000	0.000	1	117.1000	0.000	1	117.1000	0.000	1	116.9215	8.112	35	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:2:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-2:	N[6]-3:N[6]-2:N-2:	N[6](C[6]N[6]N)2	C[6](N[6]C[6]H)(N[6]C[6])(NC)	C[6](N[6]C[6]H)(N[6]C[6])(NC)	N[6](C[6]N[6]N)2{1|C<3>,2|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NC){1|N<3>,2|N<2>}	C[6](N[6]C[6]H)(N[6]C[6])(NC){1|N<3>,2|N<2>}	117.6110	0.000	1	117.6110	0.000	1	117.6110	0.000	1	116.9215	8.112	35	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:2:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N[6]-2:	N[6]-3:N[6]-2:N[6]-2:	N[6](C[6]N[6]2)2	C[6](N[6]C[6]2)(N[6]C[6])2	C[6](N[6]C[6]2)(N[6]C[6])2	N[6](C[6]N[6]2)2{1|C<3>,4|C<4>}	C[6](N[6]C[6]2)(N[6]C[6])2{1|N<2>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](N[6]C[6]2)(N[6]C[6])2{1|N<2>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	116.0440	0.000	1	116.0440	0.000	1	116.0440	0.000	1	116.9215	8.112	35	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:2:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:O[6]-2:	N[6]-3:N[6]-2:N[6]-2:	N[6](C[6]N[6]O[6])(C[6]N[6]2)	C[6](N[6]C[6]2)(N[6]C[6])(O[6]C[6])	C[6](N[6]C[6]2)(N[6]C[6])2	N[6](C[6]N[6]O[6])(C[6]N[6]2){1|C<3>,4|C<4>}	C[6](N[6]C[6]2)(N[6]C[6])(O[6]C[6]){1|C<3>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	C[6](N[6]C[6]2)(N[6]C[6])2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	114.9330	0.000	1	114.9330	0.000	1	114.9330	0.000	1	116.9215	8.112	35	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:2:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:S-2:	C[6]-3:N[6]-2:O-2:	N[6](C[6]C[6]O)(C[6]N[6]S)	C[6](N[6]C[6]Pd)(N[6]C[6])(SPd)	C[6](C[6]C[6]H)(N[6]C[6])(OH)	N[6](C[6]C[6]O)(C[6]N[6]S){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(N[6]C[6])(SPd){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6])(OH){1|H<1>,1|N<3>,1|S<2>}	123.6290	0.000	1	123.6290	0.000	1	123.6290	0.000	1	116.9215	8.112	35	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:2:	C[6]-3:C[6]-3:	N[6a]-3:N[6]-2:N[6]-2:	N[6a]-3:N[6]-2:N[6]-2:	N[6](C[6]N[6a]N[6])2	C[6](N[6a]C[6a]2)(N[6]C[6])(N[6]P[6])	C[6](N[6a]C[6a]2)(N[6]C[6])(N[6]P[6])	N[6](C[6]N[6a]N[6])2{1|P<4>,4|C<3>}	C[6](N[6a]C[6a]2)(N[6]C[6])(N[6]P[6]){1|N<3>,2|C<3>,2|H<1>,3|N<2>}	C[6](N[6a]C[6a]2)(N[6]C[6])(N[6]P[6]){1|N<3>,2|C<3>,2|H<1>,3|N<2>}	114.3820	0.000	1	115.2485	1.502	2	115.2485	1.502	2	116.9215	8.112	35	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:2:	C[6]-3:C[6]-3:	N[6a]-3:N[6]-2:N[6]-2:	N[6a]-3:N[6]-2:N[6]-2:	N[6](C[6]N[6a]N[6])2	C[6](N[6a]C[6a]2)(N[6]C[6])(N[6]P[6])	C[6](N[6a]C[6a]2)(N[6]C[6])(N[6]P[6])	N[6](C[6]N[6a]N[6])2{1|P<5>,4|C<3>}	C[6](N[6a]C[6a]2)(N[6]C[6])(N[6]P[6]){1|Pd<5>,1|N<2>,2|C<3>,2|H<1>,3|N<3>}	C[6](N[6a]C[6a]2)(N[6]C[6])(N[6]P[6]){1|Pd<5>,1|N<2>,2|C<3>,2|H<1>,3|N<3>}	116.1150	0.000	1	115.2485	1.502	2	115.2485	1.502	2	116.9215	8.112	35	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:3:	C[6]-3:C[6]-3:	C[6a]-3:N[6]-2:N[6]-2:	N[6]-3:N[6]-2:N-3:	N[6](C[6]C[6a]N[6])(C[6]N[6]N)	C[6](C[6a]C[6a]2)(N[6]C[6])2	C[6](N[6]C[6]Co)(N[6]C[6])(NHP)	N[6](C[6]C[6a]N[6])(C[6]N[6]N){1|Co<5>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6])2{1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[6](N[6]C[6]Co)(N[6]C[6])(NHP){1|C<3>,2|N<2>}	114.8150	0.000	1	114.8150	0.000	1	116.3003	1.986	3	115.3192	1.898	19	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:3:	C[6]-3:C[6]-3:	C[6a]-3:N[6]-2:N[6]-2:	N[6]-3:N[6]-2:N-3:	N[6](C[6]C[6a]N[6])(C[6]N[6]N)	C[6](C[6a]C[6a]2)(N[6]C[6])2	C[6](N[6]C[6]Ir)(N[6]C[6])(NHP)	N[6](C[6]C[6a]N[6])(C[6]N[6]N){1|Ir<5>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6])2{1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[6](N[6]C[6]Ir)(N[6]C[6])(NHP){1|C<3>,2|N<2>}	117.6190	0.000	1	117.6190	0.000	1	116.3003	1.986	3	115.3192	1.898	19	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:3:	C[6]-3:C[6]-3:	C[6a]-3:N[6]-2:N[6]-2:	N[6]-3:N[6]-2:N-3:	N[6](C[6]C[6a]N[6])(C[6]N[6]N)	C[6](C[6a]C[6a]2)(N[6]C[6])2	C[6](N[6]C[6a]C[6])(N[6]C[6])(NCC)	N[6](C[6]C[6a]N[6])(C[6]N[6]N){4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6])2{1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6])(NCC){2|N<2>,3|C<3>}	116.4670	0.000	1	116.4670	0.000	1	116.3003	1.986	3	115.3192	1.898	19	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:3:	C[6]-3:C[6]-3:	C[6a]-3:N[6]-2:O[6]-2:	C[6]-3:N[6]-2:C-3:	N[6](C[6]C[6a]O[6])(C[6]C[6]C)	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6])	C[6](C[6]C[6]N)(N[6]C[6])(COO)	N[6](C[6]C[6a]O[6])(C[6]C[6]C){1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6]){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6]N)(N[6]C[6])(COO){1|C<3>,1|N<2>,1|O<2>}	118.4680	0.000	1	118.4680	0.000	1	118.4680	0.000	1	115.3192	1.898	19	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:3:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N[6]-2:	C[6]-3:N[6]-2:N-3:	N[6](C[6]C[6]N)(C[6]N[6]2)	C[6](N[6]C[6]2)(N[6]C[6])2	C[6](C[6]C[6]N)(N[6]C[6])(NHH)	N[6](C[6]C[6]N)(C[6]N[6]2){1|C<3>,1|N<2>,2|C<4>}	C[6](N[6]C[6]2)(N[6]C[6])2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6]C[6]N)(N[6]C[6])(NHH){1|N<2>,1|N<3>,1|O<1>}	116.0920	0.000	1	116.0920	0.000	1	116.0920	0.000	1	115.3192	1.898	19	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:3:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N[6]-2:	N[6]-3:N[6]-2:N-3:	N[6](C[6]N[6]2)(C[6]N[6]N)	C[6](N[6]C[6]2)(N[6]C[6])2	C[6](N[6]C[6]H)(N[6]C[6])(NCH)	N[6](C[6]N[6]2)(C[6]N[6]N){1|C<3>,1|H<1>,2|C<4>}	C[6](N[6]C[6]2)(N[6]C[6])2{2|C<4>,3|N<3>,4|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NCH){1|N<2>,2|N<3>}	115.7610	0.292	5	115.7610	0.085	5	114.8289	1.033	14	115.3192	1.898	19	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:3:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N[6]-2:	N[6]-3:N[6]-2:N-3:	N[6](C[6]N[6]2)(C[6]N[6]N)	C[6](N[6]C[6]2)(N[6]C[6])2	C[6](N[6]C[6]H)(N[6]C[6])(NHN)	N[6](C[6]N[6]2)(C[6]N[6]N){1|C<3>,1|H<1>,2|C<4>}	C[6](N[6]C[6]2)(N[6]C[6])2{2|C<4>,3|N<3>,4|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NHN){1|N<2>,2|N<3>}	114.9646	0.222	5	114.9646	0.049	5	114.8289	1.033	14	115.3192	1.898	19	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:3:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N[6]-2:	N[6]-3:N[6]-2:N-3:	N[6](C[6]N[6]2)(C[6]N[6]N)	C[6](N[6]C[6]2)(N[6]C[6])2	C[6](N[6]C[6]Mo)(N[6]C[6])(NCO)	N[6](C[6]N[6]2)(C[6]N[6]N){1|Mo<5>,1|C<3>,2|C<4>}	C[6](N[6]C[6]2)(N[6]C[6])2{2|C<4>,3|N<3>,4|H<1>}	C[6](N[6]C[6]Mo)(N[6]C[6])(NCO){1|N<2>,2|N<3>}	114.0700	0.018	2	113.4940	0.443	4	114.8289	1.033	14	115.3192	1.898	19	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:3:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N[6]-2:	N[6]-3:N[6]-2:N-3:	N[6](C[6]N[6]2)(C[6]N[6]N)	C[6](N[6]C[6]2)(N[6]C[6])2	C[6](N[6]C[6]Mo)(N[6]C[6])(NCO)	N[6](C[6]N[6]2)(C[6]N[6]N){1|Mo<7>,1|C<4>,2|C<3>}	C[6](N[6]C[6]2)(N[6]C[6])2{1|C<3>,1|C<4>,3|H<1>,3|N<3>}	C[6](N[6]C[6]Mo)(N[6]C[6])(NCO){1|N<2>,2|N<3>}	112.9180	0.052	2	113.4940	0.443	4	114.8289	1.033	14	115.3192	1.898	19	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	3:3:2:	C[6]-3:C[6]-3:	C[6,6a]-3:N[6]-2:O-2:	C[5a]-3:N[6]-3:N[6]-2:	N[6](C[6]C[5a]N[6])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(OC[6a])	C[6](C[5a]C[5a]S[5a])(N[6]C[6,6a]Ir)(N[6]C[6])	N[6](C[6]C[5a]N[6])(C[6]C[6,6a]O){1|Ir<6>,1|S<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(OC[6a]){1|H<1>,1|N<3>,3|C<3>}	C[6](C[5a]C[5a]S[5a])(N[6]C[6,6a]Ir)(N[6]C[6]){1|O<2>,4|C<3>}	116.2650	0.153	2	116.2650	0.023	2	116.2650	0.023	2	116.2650	0.023	2	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	4:2:3:	C[6]-3:C[6]-3:	C[6,6a]-3:N[6]-2:N-2:	C[6]-4:N[6]-2:N-3:	N[6](C[6]C[6,6a]N)(C[6]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NC[6a])	C[6](C[6]C[6,6a]CC)(N[6]C[6])(NHH)	N[6](C[6]C[6,6a]N)(C[6]C[6]N){2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NC[6a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]CC)(N[6]C[6])(NHH){1|N<2>,2|C<3>}	119.5570	0.000	1	119.5570	0.000	1	119.5450	0.000	2	119.5450	0.000	2	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:2:	4:2:3:	C[6]-3:C[6]-3:	C[6,6a]-3:N[6]-2:N-2:	C[6]-4:N[6]-2:N-3:	N[6](C[6]C[6,6a]N)(C[6]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NN)	C[6](C[6]C[6,6a]CC)(N[6]C[6])(NHH)	N[6](C[6]C[6,6a]N)(C[6]C[6]N){2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NN){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]CC)(N[6]C[6])(NHH){1|N<2>,2|C<3>}	119.5330	0.000	1	119.5330	0.000	1	119.5450	0.000	2	119.5450	0.000	2	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	2:2:2:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	N[6]-2:N[6]-2:N-2:	N[6](C[6]N[6]N)2	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	C[6](N[6]C[6])2(NH)	N[6](C[6]N[6]N)2{1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|N<3>,2|N<2>}	C[6](N[6]C[6])2(NH){3|N<3>}	115.7867	0.403	4	115.7867	0.162	4	115.7867	0.162	4	115.2687	0.756	6	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	2:2:2:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	N[6]-2:N[6]-2:O-2:	N[6](C[6]N[6]N)(C[6]N[6]O)	C[6](N[6]C[6]Fe)(N[6]C[6])(NHP)	C[6](N[6]C[6])2(OC)	N[6](C[6]N[6]N)(C[6]N[6]O){1|Fe<6>,1|C<3>}	C[6](N[6]C[6]Fe)(N[6]C[6])(NHP){1|N<2>,1|N<3>,1|O<2>}	C[6](N[6]C[6])2(OC){3|N<3>}	114.2325	0.269	2	114.2325	0.073	2	114.2325	0.073	2	115.2687	0.756	6	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	2:2:3:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-3:	N[6]-2:N[6]-2:N-3:	N[6](C[6]C[6]C)(C[6]N[6]N)	C[6](C[6]C[6]H)(N[6]C[6])(CHH)	C[6](N[6]C[6])2(NCH)	N[6](C[6]C[6]C)(C[6]N[6]N){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(CHH){1|C<4>,1|N<2>,1|N<3>}	C[6](N[6]C[6])2(NCH){1|C<4>,2|C<3>}	115.2610	0.000	1	115.2610	0.000	1	115.2610	0.000	1	115.8873	1.775	230	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	2:2:3:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:C-3:	N[6]-2:N[6]-2:N-3:	N[6](C[6]N[6]C)(C[6]N[6]N)	C[6](N[6]C[6a]S[6])(N[6]C[6])(CC[6a]O)	C[6](N[6]C[6])(N[6]S[6])(NCC)	N[6](C[6]N[6]C)(C[6]N[6]N){1|C<3>,1|S<4>}	C[6](N[6]C[6a]S[6])(N[6]C[6])(CC[6a]O){1|N<2>,1|N<3>,2|C<3>,2|O<1>}	C[6](N[6]C[6])(N[6]S[6])(NCC){1|C<3>,1|N<3>,2|O<1>}	117.8760	0.000	1	117.8760	0.000	1	117.8760	0.000	1	115.8873	1.775	230	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	2:2:3:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	N[6]-2:N[6]-2:N-3:	N[6](C[6]N[6]N)2	C[6](N[6]C[6]Co)(N[6]C[6])(NCC)	C[6](N[6]C[6])2(NCC)	N[6](C[6]N[6]N)2{1|Co<5>,1|C<4>}	C[6](N[6]C[6]Co)(N[6]C[6])(NCC){1|N<2>,2|N<3>}	C[6](N[6]C[6])2(NCC){1|Co<5>,3|N<3>}	114.6750	0.000	1	114.6750	0.000	1	115.8813	1.772	228	115.8873	1.775	230	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	2:2:3:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	N[6]-2:N[6]-2:N-3:	N[6](C[6]N[6]N)2	C[6](N[6]C[6]Co)(N[6]C[6])(NCN)	C[6](N[6]C[6])2(NCN)	N[6](C[6]N[6]N)2{1|Co<6>,1|C<3>}	C[6](N[6]C[6]Co)(N[6]C[6])(NCN){1|N<2>,1|N<3>,1|O<2>}	C[6](N[6]C[6])2(NCN){1|O<2>,2|N<3>}	114.0520	0.000	1	114.0520	0.000	1	115.8813	1.772	228	115.8873	1.775	230	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	2:2:3:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	N[6]-2:N[6]-2:N-3:	N[6](C[6]N[6]N)2	C[6](N[6]C[6]Co)(N[6]C[6])(NHH)	C[6](N[6]C[6])2(NHH)	N[6](C[6]N[6]N)2{1|Co<6>,1|C<3>}	C[6](N[6]C[6]Co)(N[6]C[6])(NHH){1|C<3>,1|N<2>,1|N<3>}	C[6](N[6]C[6])2(NHH){1|C<3>,2|N<3>}	115.5290	0.369	2	115.5290	0.136	2	115.8813	1.772	228	115.8873	1.775	230	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	2:2:3:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	N[6]-2:N[6]-2:N-3:	N[6](C[6]N[6]N)2	C[6](N[6]C[6]Cu)(N[6]C[6])(NC[6]H)	C[6](N[6]C[6])2(NC[6a]2)	N[6](C[6]N[6]N)2{1|Cu<5>,1|C<3>}	C[6](N[6]C[6]Cu)(N[6]C[6])(NC[6]H){1|N<2>,1|N<3>,1|O<2>}	C[6](N[6]C[6])2(NC[6a]2){1|O<2>,2|N<3>}	114.2970	0.000	1	114.2970	0.000	1	115.8813	1.772	228	115.8873	1.775	230	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	2:2:3:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	N[6]-2:N[6]-2:N-3:	N[6](C[6]N[6]N)2	C[6](N[6]C[6]Cu)(N[6]C[6])(NHH)	C[6](N[6]C[6])2(NHH)	N[6](C[6]N[6]N)2{1|Cu<5>,1|C<3>}	C[6](N[6]C[6]Cu)(N[6]C[6])(NHH){1|C<3>,1|N<2>,1|N<3>}	C[6](N[6]C[6])2(NHH){1|C<3>,2|N<3>}	116.2614	0.493	12	116.2614	0.243	12	115.8813	1.772	228	115.8873	1.775	230	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	2:2:3:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	N[6]-2:N[6]-2:N-3:	N[6](C[6]N[6]N)2	C[6](N[6]C[6]Fe)(N[6]C[6])(NHH)	C[6](N[6]C[6])2(NHH)	N[6](C[6]N[6]N)2{1|Fe<6>,1|C<3>}	C[6](N[6]C[6]Fe)(N[6]C[6])(NHH){1|C<3>,1|N<2>,1|N<3>}	C[6](N[6]C[6])2(NHH){1|C<3>,2|N<3>}	116.0260	0.533	3	116.0260	0.284	3	115.8813	1.772	228	115.8873	1.775	230	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	2:2:3:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	N[6]-2:N[6]-2:N-3:	N[6](C[6]N[6]N)2	C[6](N[6]C[6]H)(N[6]C[6])(NCH)	C[6](N[6]C[6])2(NCH)	N[6](C[6]N[6]N)2{1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NCH){1|N<2>,1|N<3>,1|S<2>}	C[6](N[6]C[6])2(NCH){1|S<2>,2|N<3>}	115.4200	0.219	2	115.4200	0.048	2	115.8813	1.772	228	115.8873	1.775	230	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	2:2:3:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	N[6]-2:N[6]-2:N-3:	N[6](C[6]N[6]N)2	C[6](N[6]C[6]H)(N[6]C[6])(NC[6a]H)	C[6](N[6]C[6])2(NC[6a]H)	N[6](C[6]N[6]N)2{1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NC[6a]H){1|N<2>,2|N<3>}	C[6](N[6]C[6])2(NC[6a]H){3|N<3>}	115.1870	1.155	2	115.1870	1.335	2	115.8813	1.772	228	115.8873	1.775	230	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	2:2:3:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	N[6]-2:N[6]-2:N-3:	N[6](C[6]N[6]N)2	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	C[6](N[6]C[6])2(NC[6a]H)	N[6](C[6]N[6]N)2{1|C<4>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6])2(NC[6a]H){1|C<3>,1|H<1>,2|N<3>}	114.3438	0.576	6	114.3438	0.331	6	115.8813	1.772	228	115.8873	1.775	230	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	2:2:3:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	N[6]-2:N[6]-2:N-3:	N[6](C[6]N[6]N)2	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	C[6](N[6]C[6])2(NHH)	N[6](C[6]N[6]N)2{1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,1|N<2>,1|N<3>}	C[6](N[6]C[6])2(NHH){1|C<3>,2|N<3>}	115.8053	0.171	4	115.7352	0.218	179	115.8813	1.772	228	115.8873	1.775	230	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	2:2:3:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	N[6]-2:N[6]-2:N-3:	N[6](C[6]N[6]N)2	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	C[6](N[6]C[6])2(NHH)	N[6](C[6]N[6]N)2{1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<4>,1|N<2>,1|N<3>}	C[6](N[6]C[6])2(NHH){1|C<4>,2|N<3>}	116.1367	0.316	10	115.7352	0.218	179	115.8813	1.772	228	115.8873	1.775	230	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	2:2:3:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	N[6]-2:N[6]-2:N-3:	N[6](C[6]N[6]N)2	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	C[6](N[6]C[6])2(NHH)	N[6](C[6]N[6]N)2{1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|N<2>,2|N<3>}	C[6](N[6]C[6])2(NHH){3|N<3>}	115.7116	0.470	164	115.7352	0.218	179	115.8813	1.772	228	115.8873	1.775	230	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	2:2:3:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	N[6]-2:N[6]-2:N-3:	N[6](C[6]N[6]N)2	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	C[6](N[6]C[6])2(NHH)	N[6](C[6]N[6]N)2{1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|N<3>,2|N<2>}	C[6](N[6]C[6])2(NHH){1|N<2>,2|N<3>}	115.3180	0.000	1	115.7352	0.218	179	115.8813	1.772	228	115.8873	1.775	230	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	2:2:3:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	N[6]-2:N[6]-2:N-3:	N[6](C[6]N[6]N)2	C[6](N[6]C[6]Li)(N[6]C[6])(NCC)	C[6](N[6]C[6])2(NCC)	N[6](C[6]N[6]N)2{1|Li<5>,1|C<4>}	C[6](N[6]C[6]Li)(N[6]C[6])(NCC){1|N<2>,1|N<3>,1|N<4>}	C[6](N[6]C[6])2(NCC){1|Li<5>,1|N<4>,2|N<3>}	113.4750	0.000	1	113.4750	0.000	1	115.8813	1.772	228	115.8873	1.775	230	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	2:2:3:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	N[6]-2:N[6]-2:N-3:	N[6](C[6]N[6]N)2	C[6](N[6]C[6]Mn)(N[6]C[6])(NHH)	C[6](N[6]C[6])2(NHH)	N[6](C[6]N[6]N)2{1|Mn<6>,1|C<3>}	C[6](N[6]C[6]Mn)(N[6]C[6])(NHH){1|C<3>,1|N<2>,1|N<3>}	C[6](N[6]C[6])2(NHH){1|C<3>,2|N<3>}	114.8050	0.000	1	114.8050	0.000	1	115.8813	1.772	228	115.8873	1.775	230	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	2:2:3:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	N[6]-2:N[6]-2:N-3:	N[6](C[6]N[6]N)2	C[6](N[6]C[6]Ni)(N[6]C[6])(NHH)	C[6](N[6]C[6])2(NHH)	N[6](C[6]N[6]N)2{1|Ni<6>,1|C<3>}	C[6](N[6]C[6]Ni)(N[6]C[6])(NHH){1|C<3>,1|N<2>,1|N<3>}	C[6](N[6]C[6])2(NHH){1|C<3>,2|N<3>}	116.0522	0.221	5	116.0522	0.049	5	115.8813	1.772	228	115.8873	1.775	230	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	2:2:3:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	N[6]-2:N[6]-2:N-3:	N[6](C[6]N[6]N)2	C[6](N[6]C[6]Ni)(N[6]C[6])(NHP)	C[6](N[6]C[6])2(NCC)	N[6](C[6]N[6]N)2{1|Ni<4>,1|C<3>}	C[6](N[6]C[6]Ni)(N[6]C[6])(NHP){1|N<2>,2|N<3>}	C[6](N[6]C[6])2(NCC){3|N<3>}	114.9380	0.126	2	114.9380	0.016	2	115.8813	1.772	228	115.8873	1.775	230	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	2:2:3:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	N[6]-2:N[6]-2:N-3:	N[6](C[6]N[6]N)2	C[6](N[6]C[6]Ni)(N[6]C[6])(NNiC)	C[6](N[6]C[6])2(NCC)	N[6](C[6]N[6]N)2{1|Ni<6>,1|C<3>}	C[6](N[6]C[6]Ni)(N[6]C[6])(NNiC){1|N<2>,2|N<3>}	C[6](N[6]C[6])2(NCC){3|N<3>}	115.0315	0.255	2	115.0315	0.065	2	115.8813	1.772	228	115.8873	1.775	230	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	2:2:3:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	N[6]-2:N[6]-2:N-3:	N[6](C[6]N[6]N)2	C[6](N[6]C[6]Pd)(N[6]C[6])(NHH)	C[6](N[6]C[6])2(NHH)	N[6](C[6]N[6]N)2{1|Pd<4>,1|C<3>}	C[6](N[6]C[6]Pd)(N[6]C[6])(NHH){1|C<3>,1|N<2>,1|N<3>}	C[6](N[6]C[6])2(NHH){1|C<3>,2|N<3>}	116.7850	0.000	1	116.7850	0.000	1	115.8813	1.772	228	115.8873	1.775	230	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	2:2:3:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	N[6]-2:N[6]-2:N-3:	N[6](C[6]N[6]N)2	C[6](N[6]C[6]Zn)(N[6]C[6])(NHH)	C[6](N[6]C[6])2(NHH)	N[6](C[6]N[6]N)2{1|Zn<4>,1|C<3>}	C[6](N[6]C[6]Zn)(N[6]C[6])(NHH){1|N<2>,2|N<3>}	C[6](N[6]C[6])2(NHH){3|N<3>}	123.4052	1.137	4	121.9182	12.026	5	115.8813	1.772	228	115.8873	1.775	230	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	2:2:3:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	N[6]-2:N[6]-2:N-3:	N[6](C[6]N[6]N)2	C[6](N[6]C[6]Zn)(N[6]C[6])(NHH)	C[6](N[6]C[6])2(NHH)	N[6](C[6]N[6]N)2{1|Zn<6>,1|C<3>}	C[6](N[6]C[6]Zn)(N[6]C[6])(NHH){1|C<3>,1|N<2>,1|N<3>}	C[6](N[6]C[6])2(NHH){1|C<3>,2|N<3>}	115.9700	0.000	1	121.9182	12.026	5	115.8813	1.772	228	115.8873	1.775	230	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	2:2:3:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	N[6]-2:N[6]-2:N-3:	N[6](C[6]N[6]N)2	C[6](N[6]C[6a]Si[6])(N[6]C[6])(NCC)	C[6](N[6]Si[6])(N[6]C[6])(NCC)	N[6](C[6]N[6]N)2{1|Si<4>,1|C<3>}	C[6](N[6]C[6a]Si[6])(N[6]C[6])(NCC){2|Cl<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]Si[6])(N[6]C[6])(NCC){2|Cl<1>,2|N<3>}	122.4555	0.103	2	122.4555	0.011	2	115.8813	1.772	228	115.8873	1.775	230	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	2:2:4:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	N[6]-2:N[6]-2:C-4:	N[6](C[6]N[6]C)(C[6]N[6]N)	C[6](N[6]C[6]Ni)(N[6]C[6])(NHP)	C[6](N[6]C[6])2(CH3)	N[6](C[6]N[6]C)(C[6]N[6]N){1|Ni<4>,1|C<3>}	C[6](N[6]C[6]Ni)(N[6]C[6])(NHP){1|C<4>,2|N<2>}	C[6](N[6]C[6])2(CH3){1|N<2>,2|N<3>}	114.9030	0.404	2	114.9030	0.164	2	115.3003	0.555	3	115.3003	0.555	3	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	2:2:4:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	N[6]-2:N[6]-2:C-4:	N[6](C[6]N[6]C)(C[6]N[6]N)	C[6](N[6]C[6a]C[6])(N[6]C[6])(NCC)	C[6](N[6]C[6])2(CCHH)	N[6](C[6]N[6]C)(C[6]N[6]N){2|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6])(NCC){1|C<4>,2|C<3>,2|N<2>}	C[6](N[6]C[6])2(CCHH){1|N<2>,2|N<3>}	116.0950	0.000	1	116.0950	0.000	1	115.3003	0.555	3	115.3003	0.555	3	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	C[5,6]-3:N[6]-2:N-3:	N[6]-3:N[6]-2:H-1:	N[6](C[6]C[5,6]N)(C[6]N[6]H)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6])(NCH)	C[6](N[6]C[5,6]H)(N[6]C[6])(H)	N[6](C[6]C[5,6]N)(C[6]N[6]H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6])(NCH){1|C<3>,2|H<1>,2|N<3>}	C[6](N[6]C[5,6]H)(N[6]C[6])(H){1|C<3>,2|N<3>}	119.4440	0.000	1	119.4440	0.000	1	119.1347	0.892	15	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	C[5,6]-3:N[6]-2:N-3:	N[6]-3:N[6]-2:H-1:	N[6](C[6]C[5,6]N)(C[6]N[6]H)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6])(NHH)	C[6](N[6]C[5,6]Co)(N[6]C[6])(H)	N[6](C[6]C[5,6]N)(C[6]N[6]H){1|Co<6>,1|C<3>,1|N<3>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6])(NHH){1|C<3>,2|H<1>,2|N<3>}	C[6](N[6]C[5,6]Co)(N[6]C[6])(H){1|C<3>,2|N<3>}	118.6700	0.196	4	118.6829	0.663	8	119.1347	0.892	15	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	C[5,6]-3:N[6]-2:N-3:	N[6]-3:N[6]-2:H-1:	N[6](C[6]C[5,6]N)(C[6]N[6]H)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6])(NHH)	C[6](N[6]C[5,6]Co)(N[6]C[6])(H)	N[6](C[6]C[5,6]N)(C[6]N[6]H){1|Co<6>,1|C<3>,1|N<3>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6])(NHH){1|Co<4>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[5,6]Co)(N[6]C[6])(H){1|C<3>,2|N<3>}	118.6958	1.228	4	118.6829	0.663	8	119.1347	0.892	15	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	C[5,6]-3:N[6]-2:N-3:	N[6]-3:N[6]-2:H-1:	N[6](C[6]C[5,6]N)(C[6]N[6]H)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6])(NHH)	C[6](N[6]C[5,6]Cu)(N[6]C[6])(H)	N[6](C[6]C[5,6]N)(C[6]N[6]H){1|Cu<5>,1|C<3>,1|N<3>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6])(NHH){1|C<3>,2|H<1>,2|N<3>}	C[6](N[6]C[5,6]Cu)(N[6]C[6])(H){1|C<3>,2|N<3>}	120.1235	0.806	4	120.1235	0.650	4	119.1347	0.892	15	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	C[5,6]-3:N[6]-2:N-3:	N[6]-3:N[6]-2:H-1:	N[6](C[6]C[5,6]N)(C[6]N[6]H)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6])(NHH)	C[6](N[6]C[5,6]Ir)(N[6]C[6])(H)	N[6](C[6]C[5,6]N)(C[6]N[6]H){1|Ir<6>,1|C<3>,1|N<2>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[5,6]Ir)(N[6]C[6])(H){1|C<3>,1|N<2>,1|N<3>}	118.9640	0.000	1	118.9640	0.000	1	119.1347	0.892	15	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	C[5,6]-3:N[6]-2:N-3:	N[6]-3:N[6]-2:H-1:	N[6](C[6]C[5,6]N)(C[6]N[6]H)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6])(NHH)	C[6](N[6]C[5,6]Ni)(N[6]C[6])(H)	N[6](C[6]C[5,6]N)(C[6]N[6]H){1|Ni<6>,1|C<3>,1|N<3>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6])(NHH){1|C<3>,2|H<1>,2|N<3>}	C[6](N[6]C[5,6]Ni)(N[6]C[6])(H){1|C<3>,2|N<3>}	118.6560	0.000	1	118.6560	0.000	1	119.1347	0.892	15	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	C[5a,6]-3:N[6]-2:N-3:	N[6,6]-3:N[6]-2:H-1:	N[6](C[6]C[5a,6]N)(C[6]N[6,6]H)	C[6](C[5a,6]C[5a,6,6]N[5a])(N[6]C[6])(NHH)	C[6](N[6,6]C[5a,6,6]C[6])(N[6]C[6])(H)	N[6](C[6]C[5a,6]N)(C[6]N[6,6]H){1|N<2>,2|C<3>}	C[6](C[5a,6]C[5a,6,6]N[5a])(N[6]C[6])(NHH){1|C<3>,1|H<1>,2|N<3>}	C[6](N[6,6]C[5a,6,6]C[6])(N[6]C[6])(H){1|H<1>,2|C<3>,2|N<3>}	120.2430	0.000	1	120.2430	0.000	1	120.2430	0.000	1	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	C[5a,6]-3:N[6]-2:N-3:	N[6]-3:N[6]-2:H-1:	N[6](C[6]C[5a,6]N)(C[6]N[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6])(NHH)	C[6](N[6]C[5a,6]Cu)(N[6]C[6])(H)	N[6](C[6]C[5a,6]N)(C[6]N[6]H){1|Cu<5>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6])(NHH){1|C<3>,2|H<1>,2|N<3>}	C[6](N[6]C[5a,6]Cu)(N[6]C[6])(H){1|C<3>,2|N<3>}	118.7980	0.000	1	118.7980	0.000	1	119.3598	0.714	25	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	C[5a,6]-3:N[6]-2:N-3:	N[6]-3:N[6]-2:H-1:	N[6](C[6]C[5a,6]N)(C[6]N[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NCC)	C[6](N[6]C[5a,6]Ru)(N[6]C[6])(H)	N[6](C[6]C[5a,6]N)(C[6]N[6]H){1|Ru<6>,1|C<3>,1|N<2>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NCC){1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[5a,6]Ru)(N[6]C[6])(H){1|C<3>,2|N<3>}	120.7340	0.000	1	120.7340	0.000	1	119.3598	0.714	25	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	C[5a,6]-3:N[6]-2:N-3:	N[6]-3:N[6]-2:H-1:	N[6](C[6]C[5a,6]N)(C[6]N[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NCH)	C[6](N[6]C[5a,6]H)(N[6]C[6])(H)	N[6](C[6]C[5a,6]N)(C[6]N[6]H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NCH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[5a,6]H)(N[6]C[6])(H){1|C<3>,1|N<2>,1|N<3>}	119.4372	0.306	11	119.4372	0.093	11	119.3598	0.714	25	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	C[5a,6]-3:N[6]-2:N-3:	N[6]-3:N[6]-2:H-1:	N[6](C[6]C[5a,6]N)(C[6]N[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH)	C[6](N[6]C[5a,6]C)(N[6]C[6])(H)	N[6](C[6]C[5a,6]N)(C[6]N[6]H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH){1|Sn<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[5a,6]C)(N[6]C[6])(H){1|C<3>,1|N<2>,1|N<3>}	119.1910	0.000	1	119.1910	0.000	1	119.3598	0.714	25	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	C[5a,6]-3:N[6]-2:N-3:	N[6]-3:N[6]-2:H-1:	N[6](C[6]C[5a,6]N)(C[6]N[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH)	C[6](N[6]C[5a,6]Cd)(N[6]C[6])(H)	N[6](C[6]C[5a,6]N)(C[6]N[6]H){1|Cd<6>,1|C<3>,1|N<2>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH){1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[5a,6]Cd)(N[6]C[6])(H){1|C<3>,2|N<3>}	119.2485	1.056	2	119.2485	1.115	2	119.3598	0.714	25	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	C[5a,6]-3:N[6]-2:N-3:	N[6]-3:N[6]-2:H-1:	N[6](C[6]C[5a,6]N)(C[6]N[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH)	C[6](N[6]C[5a,6]Co)(N[6]C[6])(H)	N[6](C[6]C[5a,6]N)(C[6]N[6]H){1|Co<5>,1|C<3>,1|N<2>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH){1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[5a,6]Co)(N[6]C[6])(H){1|C<3>,2|N<3>}	118.3280	0.000	1	117.8780	0.405	2	119.3598	0.714	25	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	C[5a,6]-3:N[6]-2:N-3:	N[6]-3:N[6]-2:H-1:	N[6](C[6]C[5a,6]N)(C[6]N[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH)	C[6](N[6]C[5a,6]Co)(N[6]C[6])(H)	N[6](C[6]C[5a,6]N)(C[6]N[6]H){1|Co<6>,1|C<3>,1|N<2>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH){1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[5a,6]Co)(N[6]C[6])(H){1|C<3>,2|N<3>}	117.4280	0.000	1	117.8780	0.405	2	119.3598	0.714	25	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	C[5a,6]-3:N[6]-2:N-3:	N[6]-3:N[6]-2:H-1:	N[6](C[6]C[5a,6]N)(C[6]N[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH)	C[6](N[6]C[5a,6]H)(N[6]C[6])(H)	N[6](C[6]C[5a,6]N)(C[6]N[6]H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[5a,6]H)(N[6]C[6])(H){1|C<3>,1|N<2>,1|N<3>}	119.8138	1.285	5	119.8138	1.650	5	119.3598	0.714	25	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	C[5a,6]-3:N[6]-2:N-3:	N[6]-3:N[6]-2:H-1:	N[6](C[6]C[5a,6]N)(C[6]N[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH)	C[6](N[6]C[5a,6]Pt)(N[6]C[6])(H)	N[6](C[6]C[5a,6]N)(C[6]N[6]H){1|Pt<4>,1|C<3>,1|N<2>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH){1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[5a,6]Pt)(N[6]C[6])(H){1|C<3>,2|N<3>}	119.3610	0.000	1	119.3610	0.000	1	119.3598	0.714	25	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	C[5a,6]-3:N[6]-2:N-3:	N[6]-3:N[6]-2:H-1:	N[6](C[6]C[5a,6]N)(C[6]N[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH)	C[6](N[6]C[5a,6]Rh)(N[6]C[6])(H)	N[6](C[6]C[5a,6]N)(C[6]N[6]H){1|Rh<6>,1|C<3>,1|N<2>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH){1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[5a,6]Rh)(N[6]C[6])(H){1|C<3>,2|N<3>}	118.7800	0.000	1	118.7800	0.000	1	119.3598	0.714	25	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	C[6,6a]-3:N[6]-2:N-3:	N[6]-3:N[6]-2:H-1:	N[6](C[6]C[6,6a]N)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NC[6a]H)	C[6](N[6]C[6,6a]H)(N[6]C[6])(H)	N[6](C[6]C[6,6a]N)(C[6]N[6]H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NC[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]H)(N[6]C[6])(H){1|N<3>,2|C<3>}	117.4566	0.217	9	117.4566	0.047	9	117.4566	0.047	9	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-3:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]O)(N[6]C[6])(CHH)	C[6](C[6]C[6]C)(N[6]C[6])(H)	N[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]O)(N[6]C[6])(CHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6])(H){1|C<4>,2|C<3>}	125.1820	0.000	1	125.1820	0.000	1	117.5901	4.477	35	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-3:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]N[6]C)(N[6]C[6])(CNO)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[6]C)(N[6]C[6])(CNO){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Cu<5>,2|C<3>}	116.6390	0.000	2	116.6390	0.000	2	117.5901	4.477	35	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-3:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]N[6]C)(N[6]C[6])(COO)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[6]C)(N[6]C[6])(COO){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Co<6>,2|C<3>}	117.2850	0.359	3	117.2042	0.137	6	117.5901	4.477	35	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-3:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]N[6]C)(N[6]C[6])(COO)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[6]C)(N[6]C[6])(COO){1|Cu<6>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Cu<6>,2|C<3>}	116.7150	0.000	1	117.2042	0.137	6	117.5901	4.477	35	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-3:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]N[6]C)(N[6]C[6])(COO)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[6]C)(N[6]C[6])(COO){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Pd<4>,2|C<3>}	117.5890	0.000	1	117.2042	0.137	6	117.5901	4.477	35	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-3:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]N[6]C)(N[6]C[6])(COO)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[6]C)(N[6]C[6])(COO){1|Pt<5>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Pt<5>,2|C<3>}	117.0660	0.000	1	117.2042	0.137	6	117.5901	4.477	35	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-3:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]N[6]H)(N[6]C[6])(CCH)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]C)(C[6]C[6]H){1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(CCH){1|C<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|H<1>,2|C<3>}	118.4540	0.000	1	117.4117	0.818	3	117.5901	4.477	35	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-3:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]N[6]H)(N[6]C[6])(CCH)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]C)(C[6]C[6]H){1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(CCH){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Cu<5>,2|C<3>}	116.8905	0.074	2	117.4117	0.818	3	117.5901	4.477	35	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-3:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]N[6]H)(N[6]C[6])(CCN)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]C)(C[6]C[6]H){1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(CCN){1|Sn<6>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Sn<6>,2|C<3>}	116.3980	0.000	1	116.3980	0.000	1	117.5901	4.477	35	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-3:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]N[6]H)(N[6]C[6])(CNO)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]C)(C[6]C[6]H){1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(CNO){1|Au<2>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Au<2>,2|C<3>}	115.4830	0.000	1	115.5939	0.542	8	117.5901	4.477	35	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-3:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]N[6]H)(N[6]C[6])(CNO)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]C)(C[6]C[6]H){1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(CNO){1|Mn<6>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Mn<6>,2|C<3>}	115.3420	0.000	1	115.5939	0.542	8	117.5901	4.477	35	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-3:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]N[6]H)(N[6]C[6])(CNO)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]C)(C[6]C[6]H){1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(CNO){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Zn<4>,2|C<3>}	115.6543	0.860	6	115.5939	0.542	8	117.5901	4.477	35	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-3:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]N[6]H)(N[6]C[6])(COO)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]C)(C[6]C[6]H){1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(COO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|C<4>,2|C<3>}	116.7910	0.000	1	117.4847	4.528	6	117.5901	4.477	35	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-3:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]N[6]H)(N[6]C[6])(COO)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]C)(C[6]C[6]H){1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(COO){1|C<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|H<1>,2|C<3>}	121.2360	0.000	1	117.4847	4.528	6	117.5901	4.477	35	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-3:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]N[6]H)(N[6]C[6])(COO)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]C)(C[6]C[6]H){1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(COO){1|Hg<4>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Hg<4>,2|C<3>}	116.7202	1.384	4	117.4847	4.528	6	117.5901	4.477	35	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-3:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]N[6]N)(N[6]C[6])(COO)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]C)(C[6]C[6]H){1|H<1>,2|N<3>}	C[6](C[6]N[6]N)(N[6]C[6])(COO){1|C<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|H<1>,2|C<3>}	119.4597	0.494	8	119.4597	0.244	8	117.5901	4.477	35	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-3:	N[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]C)(C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]C[6])(COO)	C[6](N[6]C[6]Mg)(N[6]C[6])(H)	N[6](C[6]C[6]C)(C[6]N[6]H){1|Mg<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Mg)(N[6]C[6])(H){3|C<3>}	116.4390	0.000	1	116.4390	0.000	1	116.4390	0.000	1	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-3:	N[6]-3:N[6]-2:O-1:	N[6](C[6]C[6]C)(C[6]N[6]O)	C[6](C[6]C[6]H)(N[6]C[6])(COO)	C[6](N[6]C[6]H)(N[6]C[6])(O)	N[6](C[6]C[6]C)(C[6]N[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(COO){1|N<3>,2|O<1>}	C[6](N[6]C[6]H)(N[6]C[6])(O){1|O<1>,2|C<3>}	122.7870	0.000	1	122.7870	0.000	1	122.7870	0.000	1	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]C[6]N)	C[6](C[6]N[6]C)(N[6]C[6])(NHH)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]C[6]N){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[6]C)(N[6]C[6])(NHH){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Co<6>,1|C<3>,1|N<3>}	117.8830	0.000	1	117.5926	0.061	10	117.0089	0.431	22	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]C[6]N)	C[6](C[6]N[6]C)(N[6]C[6])(NHH)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]C[6]N){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[6]C)(N[6]C[6])(NHH){1|Mn<6>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Mn<6>,1|C<3>,1|N<3>}	117.4130	0.324	2	117.5926	0.061	10	117.0089	0.431	22	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]C[6]N)	C[6](C[6]N[6]C)(N[6]C[6])(NHH)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]C[6]N){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[6]C)(N[6]C[6])(NHH){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Ni<6>,1|C<3>,1|N<3>}	117.5787	0.253	4	117.5926	0.061	10	117.0089	0.431	22	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]C[6]N)	C[6](C[6]N[6]C)(N[6]C[6])(NHH)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]C[6]N){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[6]C)(N[6]C[6])(NHH){1|Sn<4>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Sn<4>,1|C<3>,1|N<3>}	117.6340	0.224	3	117.5926	0.061	10	117.0089	0.431	22	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]C[6]N)	C[6](C[6]N[6]H)(N[6]C[6])(NCC)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]C[6]N){1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(NCC){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Cu<5>,1|C<3>,1|N<3>}	116.2190	0.000	1	116.2190	0.000	1	117.0089	0.431	22	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]C[6]N)	C[6](C[6]N[6]H)(N[6]C[6])(NHH)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]C[6]N){1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>}	116.9693	0.423	3	116.5501	0.215	11	117.0089	0.431	22	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]C[6]N)	C[6](C[6]N[6]H)(N[6]C[6])(NHH)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]C[6]N){1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(NHH){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Co<6>,1|C<3>,1|N<3>}	116.2824	0.429	5	116.5501	0.215	11	117.0089	0.431	22	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]C[6]N)	C[6](C[6]N[6]H)(N[6]C[6])(NHH)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]C[6]N){1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(NHH){1|Mn<6>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Mn<6>,1|C<3>,1|N<3>}	116.5035	0.367	2	116.5501	0.215	11	117.0089	0.431	22	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]C[6]N)	C[6](C[6]N[6]H)(N[6]C[6])(NHH)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]C[6]N){1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(NHH){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Zn<4>,1|C<3>,1|N<3>}	116.7240	0.000	1	116.5501	0.215	11	117.0089	0.431	22	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:N-3:	N[6,6]-3:N[6]-2:H-1:	N[6](C[6]N[6,6]H)(C[6]C[6]N)	C[6](C[6]C[6,6]H)(N[6]C[6])(NC[6a]H)	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H)	N[6](C[6]N[6,6]H)(C[6]C[6]N){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6,6]H)(N[6]C[6])(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H){2|C<3>,2|F<1>,2|N<3>}	116.3660	0.000	1	116.3660	0.000	1	116.3660	0.000	1	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:N-3:	N[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]N)(C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]C[6])(NCN)	C[6](N[6]C[6]Mn)(N[6]C[6])(H)	N[6](C[6]C[6]N)(C[6]N[6]H){1|Mn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(NCN){1|H<1>,2|N<3>}	C[6](N[6]C[6]Mn)(N[6]C[6])(H){1|C<3>,2|N<3>}	115.0540	0.000	1	115.0540	0.000	1	115.0540	0.000	1	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:N-3:	N[6]-3:N[6]-2:S-1:	N[6](C[6]C[6]N)(C[6]N[6]S)	C[6](C[6]C[6]H)(N[6]C[6])(NHH)	C[6](N[6]C[6]H)(N[6]C[6])(S)	N[6](C[6]C[6]N)(C[6]N[6]S){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(NHH){1|S<1>,2|N<3>}	C[6](N[6]C[6]H)(N[6]C[6])(S){1|C<3>,2|N<3>}	118.3445	0.287	4	118.3445	0.082	4	118.3445	0.082	4	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	N[6,6]-3:N[6]-2:N-3:	C[6]-3:N[6]-2:H-1:	N[6](C[6]N[6,6]N)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(NCC)	C[6](C[6]C[6,6]H)(N[6]C[6])(H)	N[6](C[6]N[6,6]N)(C[6]C[6]H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(NCC){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	C[6](C[6]C[6,6]H)(N[6]C[6])(H){1|C<3>,2|N<3>}	116.8850	0.000	1	116.8850	0.000	1	116.8850	0.000	1	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:C-3:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]N[6]C)	C[6](N[6]C[6]H)(N[6]C[6])(CHH)	C[6](C[6]C[6]C)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]N[6]C){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(CHH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(N[6]C[6])(H){1|C<3>,1|N<3>,1|O<1>}	116.2510	0.000	1	116.2510	0.000	1	116.2510	0.000	1	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-2:Cl-1:	N[6](C[6]C[6]Cl)(C[6]N[6]N)	C[6](N[6]C[6]Fe)(N[6]C[6])(NHP)	C[6](C[6]C[6]H)(N[6]C[6])(Cl)	N[6](C[6]C[6]Cl)(C[6]N[6]N){1|Fe<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(N[6]C[6])(NHP){1|Cl<1>,1|C<3>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6])(Cl){3|N<3>}	115.2280	0.232	2	115.0610	0.111	3	115.1301	0.048	8	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-2:Cl-1:	N[6](C[6]C[6]Cl)(C[6]N[6]N)	C[6](N[6]C[6]Fe)(N[6]C[6])(NHP)	C[6](C[6]C[6]H)(N[6]C[6])(Cl)	N[6](C[6]C[6]Cl)(C[6]N[6]N){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(N[6]C[6])(NHP){1|Cl<1>,1|C<3>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6])(Cl){3|N<3>}	114.7270	0.000	1	115.0610	0.111	3	115.1301	0.048	8	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-2:Cl-1:	N[6](C[6]C[6]Cl)(C[6]N[6]N)	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	C[6](C[6]C[6]H)(N[6]C[6])(Cl)	N[6](C[6]C[6]Cl)(C[6]N[6]N){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|Cl<1>,1|C<3>,1|N<1>}	C[6](C[6]C[6]H)(N[6]C[6])(Cl){1|N<1>,2|N<3>}	114.9970	0.000	1	115.1716	0.024	5	115.1301	0.048	8	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-2:Cl-1:	N[6](C[6]C[6]Cl)(C[6]N[6]N)	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	C[6](C[6]C[6]H)(N[6]C[6])(Cl)	N[6](C[6]C[6]Cl)(C[6]N[6]N){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|Cl<1>,1|C<3>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6])(Cl){3|N<3>}	115.2152	0.137	4	115.1716	0.024	5	115.1301	0.048	8	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]N[6]N)	C[6](N[6]C[6]C)(N[6]C[6])(NHH)	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]N[6]N){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6]C)(N[6]C[6])(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,2|N<3>}	118.4230	0.034	2	118.4230	0.001	2	116.6390	0.636	76	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]N[6]N)	C[6](N[6]C[6]Cd)(N[6]C[6])(NHH)	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]N[6]N){1|Cd<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(N[6]C[6])(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,2|N<3>}	117.0150	0.000	1	117.0150	0.000	1	116.6390	0.636	76	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]N[6]N)	C[6](N[6]C[6]Co)(N[6]C[6])(NCH)	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]N[6]N){1|Co<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(N[6]C[6])(NCH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,2|N<3>}	116.3350	0.000	1	116.3350	0.000	1	116.6390	0.636	76	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]N[6]N)	C[6](N[6]C[6]Co)(N[6]C[6])(NC[6]H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]N[6]N){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(N[6]C[6])(NC[6]H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6])(H){3|N<3>}	116.1310	0.000	1	116.1310	0.000	1	116.6390	0.636	76	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]N[6]N)	C[6](N[6]C[6]Cu)(N[6]C[6])(NCH)	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]N[6]N){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(N[6]C[6])(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,2|N<3>}	115.8590	0.000	1	115.7065	0.047	2	116.6390	0.636	76	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]N[6]N)	C[6](N[6]C[6]Cu)(N[6]C[6])(NCH)	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]N[6]N){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(N[6]C[6])(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,2|N<3>}	115.5540	0.000	1	115.7065	0.047	2	116.6390	0.636	76	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]N[6]N)	C[6](N[6]C[6]Cu)(N[6]C[6])(NCuC)	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]N[6]N){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(N[6]C[6])(NCuC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,2|N<3>}	116.8492	0.588	5	116.0826	0.780	13	116.6390	0.636	76	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]N[6]N)	C[6](N[6]C[6]Cu)(N[6]C[6])(NCuC)	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]N[6]N){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(N[6]C[6])(NCuC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,2|N<3>}	115.6035	0.676	8	116.0826	0.780	13	116.6390	0.636	76	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]N[6]N)	C[6](N[6]C[6]Cu)(N[6]C[6])(NHH)	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]N[6]N){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(N[6]C[6])(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,2|N<3>}	116.2900	0.964	2	116.2900	0.930	2	116.6390	0.636	76	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]N[6]N)	C[6](N[6]C[6]Fe)(N[6]C[6])(NHN)	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]N[6]N){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(N[6]C[6])(NHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,2|N<3>}	115.7635	0.580	4	115.7635	0.336	4	116.6390	0.636	76	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]N[6]N)	C[6](N[6]C[6]H)(N[6]C[6])(NCH)	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]N[6]N){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,2|N<3>}	116.7790	0.240	2	116.7790	0.058	2	116.6390	0.636	76	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]N[6]N)	C[6](N[6]C[6]H)(N[6]C[6])(NC[6a]H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]N[6]N){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NC[6a]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,2|N<3>}	114.7240	0.000	1	114.7240	0.000	1	116.6390	0.636	76	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]N[6]N)	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	C[6](C[6]C[6]Cl)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]N[6]N){1|Cl<1>,1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]Cl)(N[6]C[6])(H){1|H<1>,2|N<3>}	117.5810	0.000	1	117.5810	0.000	1	116.6390	0.636	76	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]N[6]N)	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]N[6]N){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<4>,2|N<3>}	116.4477	0.265	3	117.0036	0.198	30	116.6390	0.636	76	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]N[6]N)	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]N[6]N){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,2|N<3>}	117.0654	0.419	27	117.0036	0.198	30	116.6390	0.636	76	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]N[6]N)	C[6](N[6]C[6]Ir)(N[6]C[6])(NC[6a]H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]N[6]N){1|Ir<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(N[6]C[6])(NC[6a]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,2|N<3>}	116.2030	0.613	5	116.2030	0.376	5	116.6390	0.636	76	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]N[6]N)	C[6](N[6]C[6]Ir)(N[6]C[6])(NHH)	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]N[6]N){1|Ir<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(N[6]C[6])(NHH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,2|N<3>}	116.5180	0.000	1	116.5180	0.000	1	116.6390	0.636	76	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]N[6]N)	C[6](N[6]C[6]Ni)(N[6]C[6])(NHH)	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]N[6]N){1|Ni<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(N[6]C[6])(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,2|N<3>}	117.9190	0.000	1	116.8287	0.899	3	116.6390	0.636	76	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]N[6]N)	C[6](N[6]C[6]Ni)(N[6]C[6])(NHH)	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]N[6]N){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(N[6]C[6])(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,2|N<3>}	116.2835	0.122	2	116.8287	0.899	3	116.6390	0.636	76	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]N[6]N)	C[6](N[6]C[6]O)(N[6]C[6])(NCH)	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]N[6]N){1|C<3>,1|H<1>,1|O<1>}	C[6](N[6]C[6]O)(N[6]C[6])(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,2|N<3>}	117.1550	0.000	1	117.1550	0.000	1	116.6390	0.636	76	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]N[6]N)	C[6](N[6]C[6]Pd)(N[6]C[6])(NC[6]H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]N[6]N){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(N[6]C[6])(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,2|N<3>}	116.4200	0.206	2	116.4200	0.043	2	116.6390	0.636	76	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]N[6]N)	C[6](N[6]C[6]Rh)(N[6]C[6])(NHH)	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]N[6]N){1|Rh<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(N[6]C[6])(NHH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,2|N<3>}	116.9820	0.000	1	116.9820	0.000	1	116.6390	0.636	76	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]N[6]N)	C[6](N[6]C[6]Ru)(N[6]C[6])(NHH)	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]N[6]N){1|Ru<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(N[6]C[6])(NHH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,2|N<3>}	117.6360	0.000	1	117.6360	0.000	1	116.6390	0.636	76	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]N[6]N)	C[6](N[6]C[6]V)(N[6]C[6])(NHH)	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]N[6]N){1|C<3>,1|H<1>,1|V<7>}	C[6](N[6]C[6]V)(N[6]C[6])(NHH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,2|N<3>}	116.5190	0.000	1	116.5190	0.000	1	116.6390	0.636	76	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]N[6]N)	C[6](N[6]C[6]Zn)(N[6]C[6])(NHH)	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]N[6]N){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(N[6]C[6])(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,2|N<3>}	116.9960	0.000	1	116.9960	0.000	1	116.6390	0.636	76	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-2:O-1:	N[6](C[6]C[6]O)(C[6]N[6]N)	C[6](N[6]C[6]H)(N[6]C[6])(NCH)	C[6](C[6]C[6]C)(N[6]C[6])(O)	N[6](C[6]C[6]O)(C[6]N[6]N){1|H<1>,2|C<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NCH){1|C<3>,2|O<1>}	C[6](C[6]C[6]C)(N[6]C[6])(O){1|O<1>,2|N<3>}	117.5460	0.000	1	117.5460	0.000	1	117.5460	0.000	1	117.4185	2.589	202	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:N-3:	N[6]-3:N[6]-2:N-2:	N[6](C[6]C[6]N)(C[6]N[6]N)	C[6](C[6]C[6]H)(N[6]C[6])(NHH)	C[6](N[6]C[6]H)(N[6]C[6])(NH)	N[6](C[6]C[6]N)(C[6]N[6]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(NHH){1|N<2>,2|N<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NH){1|C<3>,2|N<3>}	116.9360	0.000	2	116.9360	0.000	2	116.9360	0.000	2	116.2762	1.273	43	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:N-3:	N[6]-3:N[6]-2:O-2:	N[6](C[6]C[6]N)(C[6]N[6]O)	C[6](C[6]C[6]H)(N[6]C[6])(NHH)	C[6](N[6]C[6]H)(N[6]C[6])(OCa)	N[6](C[6]C[6]N)(C[6]N[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(NHH){1|H<1>,1|N<3>,1|O<2>}	C[6](N[6]C[6]H)(N[6]C[6])(OCa){1|C<3>,1|H<1>,1|N<3>}	119.2140	0.000	1	119.2140	0.000	1	119.6340	0.133	3	116.2762	1.273	43	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:N-3:	N[6]-3:N[6]-2:O-2:	N[6](C[6]C[6]N)(C[6]N[6]O)	C[6](C[6]C[6]H)(N[6]C[6])(NHH)	C[6](N[6]C[6]H)(N[6]C[6])(OCo)	N[6](C[6]C[6]N)(C[6]N[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(NHH){1|H<1>,1|N<3>,1|O<2>}	C[6](N[6]C[6]H)(N[6]C[6])(OCo){1|C<3>,1|H<1>,1|N<3>}	119.8170	0.000	1	119.8170	0.000	1	119.6340	0.133	3	116.2762	1.273	43	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:N-3:	N[6]-3:N[6]-2:O-2:	N[6](C[6]C[6]N)(C[6]N[6]O)	C[6](C[6]C[6]H)(N[6]C[6])(NHH)	C[6](N[6]C[6]H)(N[6]C[6])(OMn)	N[6](C[6]C[6]N)(C[6]N[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(NHH){1|H<1>,1|N<3>,1|O<2>}	C[6](N[6]C[6]H)(N[6]C[6])(OMn){1|C<3>,1|H<1>,1|N<3>}	119.8710	0.000	1	119.8710	0.000	1	119.6340	0.133	3	116.2762	1.273	43	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:2:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-2:O-2:	N[6](C[6]C[6]O)(C[6]N[6]N)	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	C[6](C[6]C[6]H)(N[6]C[6])(OC)	N[6](C[6]C[6]O)(C[6]N[6]N){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6])(OC){1|C<4>,2|N<3>}	116.4150	0.251	6	116.2855	0.102	27	116.2870	0.098	28	116.2762	1.273	43	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:2:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-2:O-2:	N[6](C[6]C[6]O)(C[6]N[6]N)	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	C[6](C[6]C[6]H)(N[6]C[6])(OC)	N[6](C[6]C[6]O)(C[6]N[6]N){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,2|O<2>}	C[6](C[6]C[6]H)(N[6]C[6])(OC){1|O<2>,2|N<3>}	116.2485	0.332	21	116.2855	0.102	27	116.2870	0.098	28	116.2762	1.273	43	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:2:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-2:O-2:	N[6](C[6]C[6]O)(C[6]N[6]N)	C[6](N[6]C[6]Mn)(N[6]C[6])(NMnH)	C[6](C[6]C[6]H)(N[6]C[6])(OC)	N[6](C[6]C[6]O)(C[6]N[6]N){1|Mn<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(N[6]C[6])(NMnH){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6])(OC){1|C<4>,2|N<3>}	116.3270	0.000	1	116.3270	0.000	1	116.2870	0.098	28	116.2762	1.273	43	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:2:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	C[6a]-3:N[6]-2:N[6]-2:	N[6](C[6]C[6a]N[6])(C[6]N[6]N)	C[6](N[6]C[6]Co)(N[6]C[6])(NHH)	C[6](C[6a]C[6a]2)(N[6]C[6])2	N[6](C[6]C[6a]N[6])(C[6]N[6]N){1|Co<5>,3|C<3>}	C[6](N[6]C[6]Co)(N[6]C[6])(NHH){1|C<3>,1|N<2>,1|N<3>}	C[6](C[6a]C[6a]2)(N[6]C[6])2{2|C<3>,2|H<1>,3|N<3>}	114.9760	0.192	2	114.9760	0.037	2	115.1068	0.243	10	116.2762	1.273	43	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:2:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	C[6a]-3:N[6]-2:N[6]-2:	N[6](C[6]C[6a]N[6])(C[6]N[6]N)	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	C[6](C[6a]C[6a]2)(N[6]C[6])2	N[6](C[6]C[6a]N[6])(C[6]N[6]N){1|H<1>,3|C<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,1|N<2>,1|N<3>}	C[6](C[6a]C[6a]2)(N[6]C[6])2{2|C<3>,2|H<1>,3|N<3>}	115.4730	0.021	2	115.4730	0.000	2	115.1068	0.243	10	116.2762	1.273	43	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:2:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	C[6a]-3:N[6]-2:N[6]-2:	N[6](C[6]C[6a]N[6])(C[6]N[6]N)	C[6](N[6]C[6]Ir)(N[6]C[6])(NHP)	C[6](C[6a]C[6a]2)(N[6]C[6])2	N[6](C[6]C[6a]N[6])(C[6]N[6]N){1|Ir<3>,3|C<3>}	C[6](N[6]C[6]Ir)(N[6]C[6])(NHP){1|C<3>,1|N<2>,1|N<3>}	C[6](C[6a]C[6a]2)(N[6]C[6])2{2|C<3>,2|H<1>,3|N<3>}	115.0283	0.602	6	115.0283	0.362	6	115.1068	0.243	10	116.2762	1.273	43	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:3:	C[6]-3:C[6]-3:	C[5,6]-3:N[6]-2:N-3:	N[6]-3:N[6]-2:N-3:	N[6](C[6]C[5,6]N)(C[6]N[6]N)	C[6](C[5,6]C[5,6]C[5])(N[6]C[6])(NCH)	C[6](N[6]C[5,6]H)(N[6]C[6])(NC[6a]H)	N[6](C[6]C[5,6]N)(C[6]N[6]N){1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]C[5,6]C[5])(N[6]C[6])(NCH){2|C<4>,2|H<1>,2|N<3>}	C[6](N[6]C[5,6]H)(N[6]C[6])(NC[6a]H){1|C<3>,1|C<4>,1|N<3>}	118.4010	0.000	1	118.4010	0.000	1	119.5550	1.031	3	117.9298	1.086	141	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:3:	C[6]-3:C[6]-3:	C[5,6]-3:N[6]-2:N-3:	N[6]-3:N[6]-2:N-3:	N[6](C[6]C[5,6]N)(C[6]N[6]N)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6])(NHH)	C[6](N[6]C[5,6]H)(N[6]C[6])(NHH)	N[6](C[6]C[5,6]N)(C[6]N[6]N){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6])(NHH){1|C<3>,1|H<1>,3|N<3>}	C[6](N[6]C[5,6]H)(N[6]C[6])(NHH){1|C<3>,2|N<3>}	120.1320	0.255	2	120.1320	0.065	2	119.5550	1.031	3	117.9298	1.086	141	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:3:	C[6]-3:C[6]-3:	C[5a,6]-3:N[6]-2:N-3:	N[6]-3:N[6]-2:N-3:	N[6](C[6]C[5a,6]N)(C[6]N[6]N)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH)	C[6](N[6]C[5a,6]H)(N[6]C[6])(NHH)	N[6](C[6]C[5a,6]N)(C[6]N[6]N){1|C<3>,1|H<1>,1|N<2>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH){1|N<2>,1|O<2>,2|N<3>}	C[6](N[6]C[5a,6]H)(N[6]C[6])(NHH){1|C<3>,1|N<2>,1|N<3>}	120.9590	0.000	1	120.4685	0.481	2	119.8200	0.481	5	117.9298	1.086	141	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:3:	C[6]-3:C[6]-3:	C[5a,6]-3:N[6]-2:N-3:	N[6]-3:N[6]-2:N-3:	N[6](C[6]C[5a,6]N)(C[6]N[6]N)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH)	C[6](N[6]C[5a,6]H)(N[6]C[6])(NHH)	N[6](C[6]C[5a,6]N)(C[6]N[6]N){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[6](N[6]C[5a,6]H)(N[6]C[6])(NHH){1|C<3>,1|N<2>,1|N<3>}	119.9780	0.000	1	120.4685	0.481	2	119.8200	0.481	5	117.9298	1.086	141	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:3:	C[6]-3:C[6]-3:	C[5a,6]-3:N[6]-2:N-3:	N[6]-3:N[6]-2:N-3:	N[6](C[6]C[5a,6]N)(C[6]N[6]N)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH)	C[6](N[6]C[5a,6]Pd)(N[6]C[6])(NCH)	N[6](C[6]C[5a,6]N)(C[6]N[6]N){1|Pd<4>,1|C<3>,1|N<2>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH){1|C<3>,3|N<3>}	C[6](N[6]C[5a,6]Pd)(N[6]C[6])(NCH){1|C<3>,2|N<3>}	119.2470	0.000	1	119.2470	0.000	1	119.8200	0.481	5	117.9298	1.086	141	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:3:	C[6]-3:C[6]-3:	C[5a,6]-3:N[6]-2:N-3:	N[6]-3:N[6]-2:N-3:	N[6](C[6]C[5a,6]N)(C[6]N[6]N)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH)	C[6](N[6]C[5a,6]Pd)(N[6]C[6])(NHH)	N[6](C[6]C[5a,6]N)(C[6]N[6]N){1|Pd<4>,1|C<3>,1|N<2>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH){1|C<3>,3|N<3>}	C[6](N[6]C[5a,6]Pd)(N[6]C[6])(NHH){1|C<3>,2|N<3>}	119.4580	0.098	2	119.4580	0.010	2	119.8200	0.481	5	117.9298	1.086	141	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:3:	C[6]-3:C[6]-3:	C[6,6a]-3:N[6]-2:N-3:	N[6]-3:N[6]-2:N-3:	N[6](C[6]C[6,6a]N)(C[6]N[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NCH)	C[6](N[6]C[6,6a]H)(N[6]C[6])(NHN)	N[6](C[6]C[6,6a]N)(C[6]N[6]N){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NCH){1|H<1>,2|C<3>,2|N<3>}	C[6](N[6]C[6,6a]H)(N[6]C[6])(NHN){1|N<3>,2|C<3>}	117.3580	0.000	1	117.3580	0.000	1	118.1813	0.172	9	117.9298	1.086	141	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:3:	C[6]-3:C[6]-3:	C[6,6a]-3:N[6]-2:N-3:	N[6]-3:N[6]-2:N-3:	N[6](C[6]C[6,6a]N)(C[6]N[6]N)	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6])(NHH)	C[6](N[6]C[6,6a]H)(N[6]C[6])(NHH)	N[6](C[6]C[6,6a]N)(C[6]N[6]N){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6])(NHH){1|C<3>,1|N<2>,2|N<3>}	C[6](N[6]C[6,6a]H)(N[6]C[6])(NHH){1|C<3>,1|N<2>,1|N<3>}	118.2843	0.297	8	118.2843	0.088	8	118.1813	0.172	9	117.9298	1.086	141	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:3:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-3:	C[6]-3:N[6]-2:C-3:	N[6](C[6]C[6]C)2	C[6](C[6]C[6]H)(N[6]C[6])(CHH)	C[6](C[6]C[6]H)(N[6]C[6])(CHO)	N[6](C[6]C[6]C)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(CHH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6])(CHO){1|H<1>,2|C<3>}	119.0065	0.026	2	119.0065	0.001	2	120.1960	2.410	5	117.9298	1.086	141	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:3:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-3:	C[6]-3:N[6]-2:C-3:	N[6](C[6]C[6]C)2	C[6](C[6]C[6]H)(N[6]C[6])(COO)	C[6](C[6]C[6]H)(N[6]C[6])(COO)	N[6](C[6]C[6]C)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(COO){1|O<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6])(COO){1|O<1>,2|C<3>}	122.1820	0.000	1	122.1820	0.000	1	120.1960	2.410	5	117.9298	1.086	141	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:3:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-3:	C[6]-3:N[6]-2:C-3:	N[6](C[6]C[6]C)2	C[6](C[6]N[6]C)(N[6]C[6])(CHH)	C[6](C[6]N[6]C)(N[6]C[6])(CHH)	N[6](C[6]C[6]C)2{1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]N[6]C)(N[6]C[6])(CHH){2|C<3>}	C[6](C[6]N[6]C)(N[6]C[6])(CHH){2|C<3>}	119.2120	0.000	1	119.2120	0.000	1	120.1960	2.410	5	117.9298	1.086	141	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:3:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-3:	C[6]-3:N[6]-2:C-3:	N[6](C[6]C[6]C)2	C[6](C[6]N[6]C)(N[6]C[6])(COO)	C[6](C[6]N[6]C)(N[6]C[6])(COO)	N[6](C[6]C[6]C)2{1|N<3>,2|C<3>}	C[6](C[6]N[6]C)(N[6]C[6])(COO){1|Ni<6>,2|C<3>}	C[6](C[6]N[6]C)(N[6]C[6])(COO){1|Ni<6>,2|C<3>}	121.5730	0.000	1	121.5730	0.000	1	120.1960	2.410	5	117.9298	1.086	141	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:3:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-2:N-3:	N[6](C[6]C[6]N)2	C[6](C[6]N[6]N)(N[6]C[6])(NCN)	C[6](C[6]N[6]N)(N[6]C[6])(NCN)	N[6](C[6]C[6]N)2{3|N<3>}	C[6](C[6]N[6]N)(N[6]C[6])(NCN){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]N[6]N)(N[6]C[6])(NCN){1|C<3>,1|N<3>,1|O<1>}	117.3250	0.000	1	117.3250	0.000	1	118.1875	1.488	2	117.9298	1.086	141	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:3:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-2:N-3:	N[6](C[6]C[6]N)2	C[6](C[6]N[6]N)(N[6]C[6])(NOO)	C[6](C[6]N[6]N)(N[6]C[6])(NOO)	N[6](C[6]C[6]N)2{3|N<3>}	C[6](C[6]N[6]N)(N[6]C[6])(NOO){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]N[6]N)(N[6]C[6])(NOO){1|C<3>,1|N<3>,1|O<1>}	119.0500	0.000	1	119.0500	0.000	1	118.1875	1.488	2	117.9298	1.086	141	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:3:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:N-3:	N[6]-3:N[6]-2:N-3:	N[6](C[6]C[6]N)(C[6]N[6]N)	C[6](C[6]C[6a]C[6])(N[6]C[6])(NHH)	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	N[6](C[6]C[6]N)(C[6]N[6]N){1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6])(NHH){1|C<4>,2|C<3>,2|N<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,1|C<4>,1|N<3>}	117.7925	0.483	32	117.7925	0.233	32	117.4340	0.411	53	117.9298	1.086	141	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:3:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:N-3:	N[6]-3:N[6]-2:N-3:	N[6](C[6]C[6]N)(C[6]N[6]N)	C[6](C[6]C[6a]N[6])(N[6]C[6])(NHH)	C[6](N[6]N[6]H)(N[6]C[6])(NHH)	N[6](C[6]C[6]N)(C[6]N[6]N){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6a]N[6])(N[6]C[6])(NHH){2|C<3>,2|N<3>}	C[6](N[6]N[6]H)(N[6]C[6])(NHH){1|C<3>,1|N<3>}	116.8876	0.432	21	116.8876	0.187	21	117.4340	0.411	53	117.9298	1.086	141	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:3:	C[6]-3:C[6]-3:	N[5a,6]-3:N[6]-2:N-3:	N[6]-3:N[6]-2:N-3:	N[6](C[6]N[5a,6]N)(C[6]N[6]N)	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH)	C[6](N[6]C[5a,6]H)(N[6]C[6])(NHH)	N[6](C[6]N[5a,6]N)(C[6]N[6]N){1|C<3>,1|H<1>,1|N<2>}	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH){2|C<3>,2|N<3>}	C[6](N[6]C[5a,6]H)(N[6]C[6])(NHH){1|C<3>,2|N<3>}	119.3680	0.000	1	119.3680	0.000	1	119.3680	0.000	1	117.9298	1.086	141	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:3:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-2:N-3:	N[6](C[6]C[6]N)(C[6]N[6]N)	C[6](N[6]C[6]C)(N[6]C[6])(NHH)	C[6](C[6]C[6]H)(N[6]C[6])(NHH)	N[6](C[6]C[6]N)(C[6]N[6]N){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6]C)(N[6]C[6])(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6])(NHH){1|H<1>,2|N<3>}	119.5035	0.042	2	119.5035	0.002	2	118.1250	0.416	42	117.9298	1.086	141	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:3:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-2:N-3:	N[6](C[6]C[6]N)(C[6]N[6]N)	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	C[6](C[6]C[6]C)(N[6]C[6])(NHH)	N[6](C[6]C[6]N)(C[6]N[6]N){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(N[6]C[6])(NHH){1|H<1>,2|N<3>}	118.2337	0.331	27	118.2337	0.109	27	118.1250	0.416	42	117.9298	1.086	141	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:3:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-2:N-3:	N[6](C[6]C[6]N)(C[6]N[6]N)	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	C[6](C[6]C[6]H)(N[6]C[6])(NHH)	N[6](C[6]C[6]N)(C[6]N[6]N){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6])(NHH){1|H<1>,2|N<3>}	117.9739	0.369	7	117.5243	0.570	11	118.1250	0.416	42	117.9298	1.086	141	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:3:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-2:N-3:	N[6](C[6]C[6]N)(C[6]N[6]N)	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	C[6](C[6]C[6]H)(N[6]C[6])(NHH)	N[6](C[6]C[6]N)(C[6]N[6]N){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,2|N<3>}	C[6](C[6]C[6]H)(N[6]C[6])(NHH){3|N<3>}	116.7375	0.577	4	117.5243	0.570	11	118.1250	0.416	42	117.9298	1.086	141	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:3:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-2:N-3:	N[6](C[6]C[6]N)(C[6]N[6]N)	C[6](N[6]C[6]Ru)(N[6]C[6])(NHH)	C[6](C[6]C[6]C)(N[6]C[6])(NHH)	N[6](C[6]C[6]N)(C[6]N[6]N){1|Ru<9>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Ru)(N[6]C[6])(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(N[6]C[6])(NHH){1|H<1>,2|N<3>}	118.5820	0.124	2	118.5820	0.015	2	118.1250	0.416	42	117.9298	1.086	141	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:3:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	N[4,6]-3:N[6]-2:N-3:	N[6](C[6]N[4,6]N)(C[6]N[6]N)	C[6](N[6]Si[4,6]C[6a])(N[6]C[6])(NCC)	C[6](N[4,6]Si[4,6]2)(N[6]C[6])(NCC)	N[6](C[6]N[4,6]N)(C[6]N[6]N){2|Si<5>,1|C<3>}	C[6](N[6]Si[4,6]C[6a])(N[6]C[6])(NCC){2|C<3>,2|F<1>,3|N<3>}	C[6](N[4,6]Si[4,6]2)(N[6]C[6])(NCC){4|F<1>,4|N<3>}	120.4580	0.000	1	120.4580	0.000	1	120.4580	0.000	1	117.9298	1.086	141	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:3:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	N[6]-3:N[6]-2:N-3:	N[6](C[6]N[6]N)2	C[6](N[6]C[6]H)(N[6]C[6])(NCH)	C[6](N[6]C[6]H)(N[6]C[6])(NCH)	N[6](C[6]N[6]N)2{1|C<3>,2|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NCH){1|O<1>,2|N<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NCH){1|O<1>,2|N<3>}	116.3610	0.319	3	116.3610	0.102	3	117.2139	0.609	20	117.9298	1.086	141	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:3:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	N[6]-3:N[6]-2:N-3:	N[6](C[6]N[6]N)2	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	N[6](C[6]N[6]N)2{1|C<3>,2|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|N<2>,2|N<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|N<2>,2|N<3>}	117.2010	0.000	1	116.9944	0.298	9	117.2139	0.609	20	117.9298	1.086	141	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:3:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	N[6]-3:N[6]-2:N-3:	N[6](C[6]N[6]N)2	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	N[6](C[6]N[6]N)2{1|C<3>,2|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){3|N<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){3|N<3>}	116.9686	0.578	8	116.9944	0.298	9	117.2139	0.609	20	117.9298	1.086	141	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:3:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	N[6]-3:N[6]-2:N-3:	N[6](C[6]N[6]N)2	C[6](N[6]C[6]H)(N[6]C[6])(NPtH)	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	N[6](C[6]N[6]N)2{1|C<4>,2|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NPtH){2|C<4>,2|N<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){2|C<4>,2|N<3>}	116.4820	0.000	1	116.4820	0.000	1	117.2139	0.609	20	117.9298	1.086	141	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:3:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	N[6]-3:N[6]-2:N-3:	N[6](C[6]N[6]N)2	C[6](N[6]C[6]Ni)(N[6]C[6])(NC[6a]H)	C[6](N[6]C[6]Ni)(N[6]C[6])(NHH)	N[6](C[6]N[6]N)2{2|Ni<6>,1|C<3>}	C[6](N[6]C[6]Ni)(N[6]C[6])(NC[6a]H){1|C<3>,2|N<3>}	C[6](N[6]C[6]Ni)(N[6]C[6])(NHH){1|C<3>,2|N<3>}	117.0540	0.000	1	117.0540	0.000	1	117.2139	0.609	20	117.9298	1.086	141	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:3:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	N[6]-3:N[6]-2:N-3:	N[6](C[6]N[6]N)2	C[6](N[6]C[6]O)(N[6]C[6])(NHH)	C[6](N[6]C[6]O)(N[6]C[6])(NHH)	N[6](C[6]N[6]N)2{1|C<3>,1|O<1>,1|O<2>}	C[6](N[6]C[6]O)(N[6]C[6])(NHH){1|O<1>,2|N<3>}	C[6](N[6]C[6]O)(N[6]C[6])(NHH){1|O<1>,2|N<3>}	117.5050	0.000	1	118.1180	0.179	6	117.2139	0.609	20	117.9298	1.086	141	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:3:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	N[6]-3:N[6]-2:N-3:	N[6](C[6]N[6]N)2	C[6](N[6]C[6]O)(N[6]C[6])(NHH)	C[6](N[6]C[6]O)(N[6]C[6])(NHH)	N[6](C[6]N[6]N)2{1|C<3>,2|O<1>}	C[6](N[6]C[6]O)(N[6]C[6])(NHH){3|N<3>}	C[6](N[6]C[6]O)(N[6]C[6])(NHH){3|N<3>}	118.1237	0.171	3	118.1180	0.179	6	117.2139	0.609	20	117.9298	1.086	141	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:3:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	N[6]-3:N[6]-2:N-3:	N[6](C[6]N[6]N)2	C[6](N[6]C[6]O)(N[6]C[6])(NHH)	C[6](N[6]C[6]O)(N[6]C[6])(NHH)	N[6](C[6]N[6]N)2{1|C<3>,2|O<2>}	C[6](N[6]C[6]O)(N[6]C[6])(NHH){1|O<1>,2|N<3>}	C[6](N[6]C[6]O)(N[6]C[6])(NHH){1|O<1>,2|N<3>}	118.0390	0.000	1	118.1180	0.179	6	117.2139	0.609	20	117.9298	1.086	141	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:3:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	N[6]-3:N[6]-2:N-3:	N[6](C[6]N[6]N)2	C[6](N[6]C[6]O)(N[6]C[6])(NHH)	C[6](N[6]C[6]O)(N[6]C[6])(NHH)	N[6](C[6]N[6]N)2{1|C<3>,2|O<2>}	C[6](N[6]C[6]O)(N[6]C[6])(NHH){3|N<3>}	C[6](N[6]C[6]O)(N[6]C[6])(NHH){3|N<3>}	118.7930	0.000	1	118.1180	0.179	6	117.2139	0.609	20	117.9298	1.086	141	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-3:	C[6]-3:N[6]-2:C-4:	N[6](C[6]C[6]C)2	C[6](C[6]N[6]C)(N[6]C[6])(CHH)	C[6](C[6]N[6]C)(N[6]C[6])(CH3)	N[6](C[6]C[6]C)2{1|N<2>,2|C<3>}	C[6](C[6]N[6]C)(N[6]C[6])(CHH){1|C<3>,1|C<4>}	C[6](C[6]N[6]C)(N[6]C[6])(CH3){2|C<3>}	118.8880	0.000	1	118.8880	0.000	1	118.8880	0.000	1	117.9159	1.252	31	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-3:	N[6]-3:N[6]-2:C-4:	N[6](C[6]C[6]C)(C[6]N[6]C)	C[6](C[6]C[6]O)(N[6]C[6])(CNO)	C[6](N[6]C[6]C)(N[6]C[6])(CH3)	N[6](C[6]C[6]C)(C[6]N[6]C){1|C<2>,1|C<4>,1|O<2>}	C[6](C[6]C[6]O)(N[6]C[6])(CNO){1|C<4>,1|N<3>}	C[6](N[6]C[6]C)(N[6]C[6])(CH3){2|C<3>}	118.2670	0.000	1	118.2670	0.000	1	118.2670	0.000	1	117.9159	1.252	31	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:N-3:	N[6]-3:N[6]-2:C-4:	N[6](C[6]C[6]N)(C[6]N[6]C)	C[6](C[6]C[6]C)(N[6]C[6])(NHH)	C[6](N[6]C[6]C)(N[6]C[6])(CH3)	N[6](C[6]C[6]N)(C[6]N[6]C){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6])(NHH){1|C<4>,1|H<1>,1|N<3>}	C[6](N[6]C[6]C)(N[6]C[6])(CH3){1|C<3>,1|H<1>,1|N<3>}	118.9650	1.145	4	118.9650	1.311	4	118.5732	0.560	14	117.9159	1.252	31	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:N-3:	N[6]-3:N[6]-2:C-4:	N[6](C[6]C[6]N)(C[6]N[6]C)	C[6](C[6]C[6]C)(N[6]C[6])(NHH)	C[6](N[6]C[6]H)(N[6]C[6])(CH3)	N[6](C[6]C[6]N)(C[6]N[6]C){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6])(NHH){1|C<4>,1|H<1>,1|N<3>}	C[6](N[6]C[6]H)(N[6]C[6])(CH3){1|C<3>,1|H<1>,1|N<3>}	118.5422	0.366	9	118.5422	0.134	9	118.5732	0.560	14	117.9159	1.252	31	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:N-3:	N[6]-3:N[6]-2:C-4:	N[6](C[6]C[6]N)(C[6]N[6]C)	C[6](C[6]C[6]H)(N[6]C[6])(NC[6a]H)	C[6](N[6]C[6]H)(N[6]C[6])(CH3)	N[6](C[6]C[6]N)(C[6]N[6]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(NC[6a]H){1|C<4>,2|N<3>}	C[6](N[6]C[6]H)(N[6]C[6])(CH3){1|C<3>,2|N<3>}	117.2850	0.000	1	117.2850	0.000	1	118.5732	0.560	14	117.9159	1.252	31	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:4:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:C-3:	C[6]-3:N[6]-2:C-4:	N[6](C[6]C[6]C)(C[6]N[6]C)	C[6](N[6]C[6]Fe)(N[6]C[6])(CCN)	C[6](C[6]C[6]H)(N[6]C[6])(CC3)	N[6](C[6]C[6]C)(C[6]N[6]C){1|Fe<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(N[6]C[6])(CCN){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6])(CC3){1|N<3>,2|C<3>}	115.7910	0.000	1	115.7910	0.000	1	115.7910	0.000	1	117.9159	1.252	31	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:4:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-2:C-4:	N[6](C[6]C[6]C)(C[6]N[6]N)	C[6](N[6]C[6]Co)(N[6]C[6])(NHN)	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	N[6](C[6]C[6]C)(C[6]N[6]N){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(N[6]C[6])(NHN){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<4>,2|N<3>}	115.4605	0.275	2	115.4605	0.076	2	117.3158	1.045	14	117.9159	1.252	31	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:4:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-2:C-4:	N[6](C[6]C[6]C)(C[6]N[6]N)	C[6](N[6]C[6]Cu)(N[6]C[6])(NHH)	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	N[6](C[6]C[6]C)(C[6]N[6]N){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(N[6]C[6])(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|H<1>,2|N<3>}	118.2370	0.000	1	118.2370	0.000	1	117.3158	1.045	14	117.9159	1.252	31	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:4:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-2:C-4:	N[6](C[6]C[6]C)(C[6]N[6]N)	C[6](N[6]C[6]H)(N[6]C[6])(NC[6a]H)	C[6](C[6]C[6]C)(N[6]C[6])(CF3)	N[6](C[6]C[6]C)(C[6]N[6]N){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NC[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6])(CF3){1|C<3>,1|H<1>,2|N<3>}	116.6640	0.000	1	116.6640	0.000	1	117.3158	1.045	14	117.9159	1.252	31	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:4:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-2:C-4:	N[6](C[6]C[6]C)(C[6]N[6]N)	C[6](N[6]C[6]H)(N[6]C[6])(NC[6a]H)	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	N[6](C[6]C[6]C)(C[6]N[6]N){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NC[6a]H){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<4>,2|N<3>}	117.4910	0.610	2	117.4910	0.372	2	117.3158	1.045	14	117.9159	1.252	31	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:4:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-2:C-4:	N[6](C[6]C[6]C)(C[6]N[6]N)	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	N[6](C[6]C[6]C)(C[6]N[6]N){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|H<1>,2|N<3>}	118.1930	0.316	5	118.1930	0.100	5	117.3158	1.045	14	117.9159	1.252	31	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:4:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-2:C-4:	N[6](C[6]C[6]C)(C[6]N[6]N)	C[6](N[6]N[6]Cu)(N[6]C[6])(NHH)	C[6](C[6]N[6]C)(N[6]C[6])(CH3)	N[6](C[6]C[6]C)(C[6]N[6]N){1|Cu<4>,1|C<4>,1|N<2>}	C[6](N[6]N[6]Cu)(N[6]C[6])(NHH){1|C<3>,1|C<4>}	C[6](C[6]N[6]C)(N[6]C[6])(CH3){2|N<3>}	116.7050	0.000	1	116.7050	0.000	1	117.3158	1.045	14	117.9159	1.252	31	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:4:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-2:C-4:	N[6](C[6]C[6]C)(C[6]N[6]N)	C[6](N[6]N[6]H)(N[6]C[6])(NHH)	C[6](C[6]N[6]C)(N[6]C[6])(CH3)	N[6](C[6]C[6]C)(C[6]N[6]N){1|C<4>,1|H<1>,1|N<2>}	C[6](N[6]N[6]H)(N[6]C[6])(NHH){1|C<3>,1|C<4>}	C[6](C[6]N[6]C)(N[6]C[6])(CH3){2|N<3>}	116.9735	0.264	2	116.9735	0.070	2	117.3158	1.045	14	117.9159	1.252	31	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	3:3:2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-3:	N[6]-3:C[6]-3:N[6]-2:	N[6](C[6]C[6]N[6])(C[6]C[6]C)	C[6](C[6]C[6]H)(N[6]C[6])(CCH)	C[6](N[6]C[6]Ti)(C[6]N[6]2)(N[6]C[6])	N[6](C[6]C[6]N[6])(C[6]C[6]C){1|Ti<10>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6])(CCH){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Ti)(C[6]N[6]2)(N[6]C[6]){1|H<1>,4|C<3>}	116.5560	0.858	2	116.5560	0.737	2	116.5560	0.737	2	116.5560	0.737	2	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	4:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-3:	C[5,6]-4:N[6]-2:O-1:	N[6](C[6]C[5,6]O)(C[6]C[6]C)	C[6](C[6]N[5,6]O)(N[6]C[6])(CC[6a]H)	C[6](C[5,6]N[5,6]C[5]S)(N[6]C[6])(O)	N[6](C[6]C[5,6]O)(C[6]C[6]C){1|C<4>,1|N<3>,1|O<1>,1|S<2>}	C[6](C[6]N[5,6]O)(N[6]C[6])(CC[6a]H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[5,6]N[5,6]C[5]S)(N[6]C[6])(O){2|H<1>,4|C<3>}	122.6310	0.000	1	122.6310	0.000	1	122.6310	0.000	1	119.1624	4.008	5	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	4:2:1:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:C-3:	C[6]-4:N[6]-2:O-1:	N[6](C[6]C[6]O)(C[6]N[6]C)	C[6](N[6]C[6a]C[6])(N[6]C[6])(CCC)	C[6](C[6]C[6]CC)(N[6]C[6])(O)	N[6](C[6]C[6]O)(C[6]N[6]C){2|C<3>,2|C<4>}	C[6](N[6]C[6a]C[6])(N[6]C[6])(CCC){1|C<4>,2|C<3>,2|O<1>}	C[6](C[6]C[6]CC)(N[6]C[6])(O){1|C<3>,1|N<3>,1|O<1>}	119.0970	0.000	1	119.0970	0.000	1	119.0970	0.000	1	119.1624	4.008	5	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:3:	4:2:1:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-3:	C[6]-4:N[6]-2:O-1:	N[6](C[6]C[6]O)(C[6]N[6]N)	C[6](N[6]C[6]H)(N[6]C[6])(NCH)	C[6](C[6]C[6]CC)(N[6]C[6])(O)	N[6](C[6]C[6]O)(C[6]N[6]N){1|C<3>,1|H<1>,2|C<4>}	C[6](N[6]C[6]H)(N[6]C[6])(NCH){1|C<4>,2|O<1>}	C[6](C[6]C[6]CC)(N[6]C[6])(O){1|O<1>,2|N<3>}	118.0280	0.262	3	118.0280	0.068	3	118.0280	0.068	3	119.1624	4.008	5	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:4:	2:2:3:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-4:	N[6]-2:N[6]-2:N-3:	N[6](C[6]C[6]C)(C[6]N[6]N)	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C[6](N[6]C[6])2(NCH)	N[6](C[6]C[6]C)(C[6]N[6]N){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<3>,1|N<2>,1|N<3>}	C[6](N[6]C[6])2(NCH){1|C<4>,2|C<3>}	115.3000	0.000	1	115.3000	0.000	1	115.3000	0.000	1	116.0367	3.435	14	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:4:	2:2:3:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-4:	N[6]-2:S[6]-2:N-3:	N[6](C[6]C[6]C)(C[6]S[6]N)	C[6](C[6]C[6]C)(N[6]C[6])(CH3)	C[6](N[6]C[6])(S[6]C[6])(NHH)	N[6](C[6]C[6]C)(C[6]S[6]N){1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(N[6]C[6])(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[6](N[6]C[6])(S[6]C[6])(NHH){1|C<4>,1|H<1>,2|C<3>}	122.3920	0.000	1	122.3920	0.000	1	122.3920	0.000	1	116.0367	3.435	14	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:4:	2:2:3:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:C-4:	N[6]-2:N[6]-2:N-3:	N[6](C[6]N[6]C)(C[6]N[6]N)	C[6](N[6]C[6]H)(N[6]C[6])(CH3)	C[6](N[6]C[6])2(NHH)	N[6](C[6]N[6]C)(C[6]N[6]N){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(CH3){1|N<2>,2|N<3>}	C[6](N[6]C[6])2(NHH){1|C<4>,2|N<3>}	115.6035	0.337	10	115.5852	0.106	11	115.5852	0.106	11	116.0367	3.435	14	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:4:	2:2:3:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:C-4:	N[6]-2:N[6]-2:N-3:	N[6](C[6]N[6]C)(C[6]N[6]N)	C[6](N[6]C[6]H)(N[6]C[6])(CH3)	C[6](N[6]C[6])2(NHH)	N[6](C[6]N[6]C)(C[6]N[6]N){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(CH3){1|N<3>,2|N<2>}	C[6](N[6]C[6])2(NHH){1|C<4>,1|N<2>,1|N<3>}	115.4020	0.000	1	115.5852	0.106	11	115.5852	0.106	11	116.0367	3.435	14	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:4:	2:2:3:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-4:	N[6]-2:N[6]-2:N-3:	N[6](C[6]N[6]N)2	C[6](N[6]C[6]Re)(N[6]C[6])(NH3)	C[6](N[6]C[6])2(NC[6a]H)	N[6](C[6]N[6]N)2{1|Re<6>,1|C<3>}	C[6](N[6]C[6]Re)(N[6]C[6])(NH3){1|C<3>,1|N<2>,1|N<3>}	C[6](N[6]C[6])2(NC[6a]H){1|C<3>,1|N<3>,1|N<4>}	115.3850	0.000	1	115.3850	0.000	1	115.3850	0.000	1	116.0367	3.435	14	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-4:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6])(CHHN)	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]C)(C[6]C[6]H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(CHHN){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|C<4>}	117.7780	0.386	2	117.7780	0.149	2	117.3603	0.473	39	117.8179	1.765	49	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-4:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]N[6]C)(N[6]C[6])(CH3)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[6]C)(N[6]C[6])(CH3){1|Al<4>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Al<4>,1|C<3>,1|C<4>}	117.9414	0.227	8	117.9813	0.107	12	117.3603	0.473	39	117.8179	1.765	49	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-4:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]N[6]C)(N[6]C[6])(CH3)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[6]C)(N[6]C[6])(CH3){1|Al<5>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Al<5>,1|C<3>,1|C<4>}	117.6615	0.015	2	117.9813	0.107	12	117.3603	0.473	39	117.8179	1.765	49	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-4:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]N[6]C)(N[6]C[6])(CH3)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[6]C)(N[6]C[6])(CH3){1|Zn<6>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Zn<6>,1|C<3>,1|C<4>}	118.4610	0.373	2	117.9813	0.107	12	117.3603	0.473	39	117.8179	1.765	49	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-4:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]N[6]H)(N[6]C[6])(CCHH)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]C)(C[6]C[6]H){1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(CCHH){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Cu<5>,1|C<3>,1|C<4>}	116.9907	0.243	4	116.9907	0.059	4	117.3603	0.473	39	117.8179	1.765	49	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-4:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]N[6]H)(N[6]C[6])(CH3)	C[6](C[6]N[6]C)(N[6]C[6])(H)	N[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[6]H)(N[6]C[6])(CH3){1|Cd<6>,1|C<3>,1|H<1>}	C[6](C[6]N[6]C)(N[6]C[6])(H){1|Cd<6>,1|C<3>,1|C<4>}	116.9275	0.479	2	117.0142	0.443	12	117.3603	0.473	39	117.8179	1.765	49	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-4:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]N[6]H)(N[6]C[6])(CH3)	C[6](C[6]N[6]C)(N[6]C[6])(H)	N[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[6]H)(N[6]C[6])(CH3){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]N[6]C)(N[6]C[6])(H){1|Co<6>,1|C<3>,1|C<4>}	117.0177	0.418	3	117.0142	0.443	12	117.3603	0.473	39	117.8179	1.765	49	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-4:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]N[6]H)(N[6]C[6])(CH3)	C[6](C[6]N[6]C)(N[6]C[6])(H)	N[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[6]H)(N[6]C[6])(CH3){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]N[6]C)(N[6]C[6])(H){1|Fe<6>,1|C<3>,1|C<4>}	116.2870	0.000	1	117.0142	0.443	12	117.3603	0.473	39	117.8179	1.765	49	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-4:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]N[6]H)(N[6]C[6])(CH3)	C[6](C[6]N[6]C)(N[6]C[6])(H)	N[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[6]H)(N[6]C[6])(CH3){1|Ir<6>,1|C<3>,1|H<1>}	C[6](C[6]N[6]C)(N[6]C[6])(H){1|Ir<6>,1|C<3>,1|C<4>}	116.0610	0.000	1	117.0142	0.443	12	117.3603	0.473	39	117.8179	1.765	49	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-4:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]N[6]H)(N[6]C[6])(CH3)	C[6](C[6]N[6]C)(N[6]C[6])(H)	N[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[6]H)(N[6]C[6])(CH3){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]N[6]C)(N[6]C[6])(H){1|Ni<6>,1|C<3>,1|C<4>}	117.0100	0.000	1	117.0142	0.443	12	117.3603	0.473	39	117.8179	1.765	49	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-4:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]N[6]H)(N[6]C[6])(CH3)	C[6](C[6]N[6]C)(N[6]C[6])(H)	N[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[6]H)(N[6]C[6])(CH3){1|Sn<6>,1|C<3>,1|H<1>}	C[6](C[6]N[6]C)(N[6]C[6])(H){1|Sn<6>,1|C<3>,1|C<4>}	118.0165	0.876	2	117.0142	0.443	12	117.3603	0.473	39	117.8179	1.765	49	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-4:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]N[6]H)(N[6]C[6])(CH3)	C[6](C[6]N[6]C)(N[6]C[6])(H)	N[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[6]H)(N[6]C[6])(CH3){1|Zn<6>,1|C<3>,1|H<1>}	C[6](C[6]N[6]C)(N[6]C[6])(H){1|Zn<6>,1|C<3>,1|C<4>}	117.0980	0.000	1	117.0142	0.443	12	117.3603	0.473	39	117.8179	1.765	49	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-4:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]N[6]H)(N[6]C[6])(CH3)	C[6](C[6]N[6]C)(N[6]C[6])(H)	N[6](C[6]C[6]C)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[6]H)(N[6]C[6])(CH3){1|Pt<4>,1|C<3>,1|H<1>}	C[6](C[6]N[6]C)(N[6]C[6])(H){1|Pt<4>,1|C<3>,1|C<4>}	116.7730	0.000	1	117.0142	0.443	12	117.3603	0.473	39	117.8179	1.765	49	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-4:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]N[6]H)(N[6]C[6])(CH3)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]C)(C[6]C[6]H){1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|C<3>,2|C<4>}	117.4155	0.769	4	117.0651	0.482	9	117.3603	0.473	39	117.8179	1.765	49	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-4:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]N[6]H)(N[6]C[6])(CH3)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]C)(C[6]C[6]H){1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(CH3){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Co<6>,1|C<3>,1|C<4>}	117.0510	0.000	1	117.0651	0.482	9	117.3603	0.473	39	117.8179	1.765	49	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-4:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]N[6]H)(N[6]C[6])(CH3)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]C)(C[6]C[6]H){1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(CH3){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Cu<4>,1|C<3>,1|C<4>}	116.3275	0.709	2	117.0651	0.482	9	117.3603	0.473	39	117.8179	1.765	49	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-4:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]N[6]H)(N[6]C[6])(CH3)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]C)(C[6]C[6]H){1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(CH3){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Fe<6>,1|C<3>,1|C<4>}	117.1200	0.000	1	117.0651	0.482	9	117.3603	0.473	39	117.8179	1.765	49	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-4:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]N[6]H)(N[6]C[6])(CH3)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]C)(C[6]C[6]H){1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(CH3){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Ni<6>,1|C<3>,1|C<4>}	117.0980	0.000	1	117.0651	0.482	9	117.3603	0.473	39	117.8179	1.765	49	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-4:	C[6]-3:N[6]-2:O-1:	N[6](C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C[6](C[6]C[6]H)(N[6]C[6])(O)	N[6](C[6]C[6]C)(C[6]C[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6])(O){1|C<3>,1|C<4>,1|H<1>}	119.8590	0.000	1	119.8590	0.000	1	119.8590	0.000	1	117.8179	1.765	49	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-4:	N[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]C)(C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C[6](N[6]C[6]Cu)(N[6]C[6])(H)	N[6](C[6]C[6]C)(C[6]N[6]H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<4>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Cu)(N[6]C[6])(H){1|C<3>,2|C<4>}	116.1080	0.000	1	116.1080	0.000	1	116.1080	0.000	1	117.8179	1.765	49	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-4:	N[6]-3:N[6]-2:O-1:	N[6](C[6]C[6]C)(C[6]N[6]O)	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C[6](N[6]C[6]2)(N[6]C[6])(O)	N[6](C[6]C[6]C)(C[6]N[6]O){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<3>,1|N<3>,1|O<1>}	C[6](N[6]C[6]2)(N[6]C[6])(O){1|C<2>,1|C<4>,3|C<3>}	118.6130	0.000	1	118.6130	0.000	1	118.8080	0.076	2	117.8179	1.765	49	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-4:	N[6]-3:N[6]-2:O-1:	N[6](C[6]C[6]C)(C[6]N[6]O)	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C[6](N[6]C[6a]C[6])(N[6]C[6])(O)	N[6](C[6]C[6]C)(C[6]N[6]O){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<3>,1|N<3>,1|O<1>}	C[6](N[6]C[6a]C[6])(N[6]C[6])(O){1|C<4>,4|C<3>}	119.0030	0.000	1	119.0030	0.000	1	118.8080	0.076	2	117.8179	1.765	49	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-4:	N[6]-3:N[6]-2:S-1:	N[6](C[6]C[6]C)(C[6]N[6]S)	C[6](C[6]C[6]C)(N[6]C[6])(CH3)	C[6](N[6]C[6]H)(N[6]C[6])(S)	N[6](C[6]C[6]C)(C[6]N[6]S){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6])(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	C[6](N[6]C[6]H)(N[6]C[6])(S){1|C<4>,1|H<1>,2|C<3>}	123.1180	0.000	1	123.1180	0.000	1	120.7797	4.156	3	117.8179	1.765	49	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-4:	N[6]-3:N[6]-2:S-1:	N[6](C[6]C[6]C)(C[6]N[6]S)	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C[6](N[6]C[6]H)(N[6]C[6])(S)	N[6](C[6]C[6]C)(C[6]N[6]S){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<4>,1|N<3>,1|S<1>}	C[6](N[6]C[6]H)(N[6]C[6])(S){1|C<3>,2|C<4>}	119.3760	0.000	1	119.3760	0.000	1	120.7797	4.156	3	117.8179	1.765	49	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-4:	N[6]-3:N[6]-2:S-1:	N[6](C[6]C[6]C)(C[6]N[6]S)	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C[6](N[6]C[6a]C[6])(N[6]C[6])(S)	N[6](C[6]C[6]C)(C[6]N[6]S){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<4>,1|N<3>,1|S<1>}	C[6](N[6]C[6a]C[6])(N[6]C[6])(S){2|C<4>,3|C<3>}	119.8450	0.000	1	119.8450	0.000	1	120.7797	4.156	3	117.8179	1.765	49	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-4:	N[6]-3:N[6]-2:Se-1:	N[6](C[6]N[6]Se)(C[6]C[6]C)	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C[6](N[6]C[6a]C[6])(N[6]C[6])(Se)	N[6](C[6]N[6]Se)(C[6]C[6]C){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|Se<1>,1|C<3>,1|N<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6])(Se){1|C<4>,4|C<3>}	120.0343	0.215	3	120.0343	0.046	3	120.0343	0.046	3	117.8179	1.765	49	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-4:	C[6]-3:N[6]-2:S-2:	N[6](C[6]C[6]C)(C[6]C[6]S)	C[6](C[6]N[6]C)(N[6]C[6])(CCHH)	C[6](C[6]N[6]S)(N[6]C[6])(SNi)	N[6](C[6]C[6]C)(C[6]C[6]S){1|C<4>,1|N<3>,1|S<2>}	C[6](C[6]N[6]C)(N[6]C[6])(CCHH){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]N[6]S)(N[6]C[6])(SNi){1|C<3>,1|C<4>,1|H<1>}	119.2670	0.000	1	119.2670	0.000	1	119.7390	0.446	2	117.6603	0.697	31	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-4:	C[6]-3:N[6]-2:S-2:	N[6](C[6]C[6]C)(C[6]C[6]S)	C[6](C[6]N[6]C)(N[6]C[6])(CCHH)	C[6](C[6]N[6]S)(N[6]C[6])(SPt)	N[6](C[6]C[6]C)(C[6]C[6]S){1|C<4>,1|N<3>,1|S<2>}	C[6](C[6]N[6]C)(N[6]C[6])(CCHH){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]N[6]S)(N[6]C[6])(SPt){1|C<3>,1|C<4>,1|H<1>}	120.2110	0.000	1	120.2110	0.000	1	119.7390	0.446	2	117.6603	0.697	31	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-4:	N[6]-3:N[6]-2:N-2:	N[6](C[6]C[6]C)(C[6]N[6]N)	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C[6](N[6]C[6]H)(N[6]C[6])(NC)	N[6](C[6]C[6]C)(C[6]N[6]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<4>,1|N<2>,1|N<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NC){1|C<3>,2|C<4>}	117.3290	0.000	1	117.3290	0.000	1	117.6753	0.197	15	117.6603	0.697	31	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-4:	N[6]-3:N[6]-2:N-2:	N[6](C[6]C[6]C)(C[6]N[6]N)	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C[6](N[6]C[6]H)(N[6]C[6])(NH)	N[6](C[6]C[6]C)(C[6]N[6]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<4>,1|N<2>,1|N<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NH){1|C<3>,2|C<4>}	117.7410	0.000	1	117.7410	0.000	1	117.6753	0.197	15	117.6603	0.697	31	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-4:	N[6]-3:N[6]-2:N-2:	N[6](C[6]C[6]C)(C[6]N[6]N)	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C[6](N[6]C[6]H)(N[6]C[6])(NS)	N[6](C[6]C[6]C)(C[6]N[6]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<4>,1|N<2>,1|N<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NS){1|C<3>,2|C<4>}	117.6968	0.468	13	117.6968	0.219	13	117.6753	0.197	15	117.6603	0.697	31	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-4:	N[6]-3:N[6]-2:S-2:	N[6](C[6]C[6]C)(C[6]N[6]S)	C[6](C[6]C[6]C)(N[6]C[6])(CH3)	C[6](N[6]C[6]C)(N[6]C[6])(SC)	N[6](C[6]C[6]C)(C[6]N[6]S){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6])(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[6](N[6]C[6]C)(N[6]C[6])(SC){1|C<4>,1|H<1>,2|C<3>}	117.5540	0.037	2	117.5540	0.001	2	117.3472	0.592	14	117.6603	0.697	31	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-4:	N[6]-3:N[6]-2:S-2:	N[6](C[6]C[6]C)(C[6]N[6]S)	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C[6](N[6]C[6]Cd)(N[6]C[6])(SCd)	N[6](C[6]C[6]C)(C[6]N[6]S){1|Cd<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<4>,1|N<3>,1|S<2>}	C[6](N[6]C[6]Cd)(N[6]C[6])(SCd){1|C<3>,2|C<4>}	117.4820	0.000	1	117.4820	0.000	1	117.3472	0.592	14	117.6603	0.697	31	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-4:	N[6]-3:N[6]-2:S-2:	N[6](C[6]C[6]C)(C[6]N[6]S)	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C[6](N[6]C[6]H)(N[6]C[6])(SCu)	N[6](C[6]C[6]C)(C[6]N[6]S){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<4>,1|N<3>,1|S<2>}	C[6](N[6]C[6]H)(N[6]C[6])(SCu){1|C<3>,2|C<4>}	118.0828	0.581	4	118.0828	0.337	4	117.3472	0.592	14	117.6603	0.697	31	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-4:	N[6]-3:N[6]-2:S-2:	N[6](C[6]C[6]C)(C[6]N[6]S)	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C[6](N[6]C[6]H)(N[6]C[6])(SIr)	N[6](C[6]C[6]C)(C[6]N[6]S){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<4>,1|N<3>,1|S<2>}	C[6](N[6]C[6]H)(N[6]C[6])(SIr){1|C<3>,2|C<4>}	117.5010	0.000	1	117.5010	0.000	1	117.3472	0.592	14	117.6603	0.697	31	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-4:	N[6]-3:N[6]-2:S-2:	N[6](C[6]C[6]C)(C[6]N[6]S)	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C[6](N[6]C[6]Mn)(N[6]C[6])(SMn)	N[6](C[6]C[6]C)(C[6]N[6]S){1|Mn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<4>,1|N<3>,1|S<2>}	C[6](N[6]C[6]Mn)(N[6]C[6])(SMn){1|C<3>,2|C<4>}	117.5450	0.000	1	117.5450	0.000	1	117.3472	0.592	14	117.6603	0.697	31	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-4:	N[6]-3:N[6]-2:S-2:	N[6](C[6]C[6]C)(C[6]N[6]S)	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C[6](N[6]C[6]Ni)(N[6]C[6])(SNi)	N[6](C[6]C[6]C)(C[6]N[6]S){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<4>,1|N<3>,1|S<2>}	C[6](N[6]C[6]Ni)(N[6]C[6])(SNi){1|C<3>,2|C<4>}	116.7725	0.464	4	116.7725	0.215	4	117.3472	0.592	14	117.6603	0.697	31	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-4:	N[6]-3:N[6]-2:S-2:	N[6](C[6]C[6]C)(C[6]N[6]S)	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C[6](N[6]C[6]Sn)(N[6]C[6])(SSn)	N[6](C[6]C[6]C)(C[6]N[6]S){1|Sn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<4>,1|N<3>,1|S<2>}	C[6](N[6]C[6]Sn)(N[6]C[6])(SSn){1|C<3>,2|C<4>}	115.8040	0.000	1	115.8040	0.000	1	117.3472	0.592	14	117.6603	0.697	31	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:3:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-4:	N[6]-3:N[6]-2:N-3:	N[6](C[6]C[6]C)(C[6]N[6]N)	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	N[6](C[6]C[6]C)(C[6]N[6]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<4>,2|N<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,2|C<4>}	117.3980	0.712	24	117.3980	0.507	24	117.3405	0.412	31	117.3449	0.488	38	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:3:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-4:	N[6]-3:N[6]-2:N-3:	N[6](C[6]C[6]C)(C[6]N[6]N)	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C[6](N[6]C[6]H)(N[6]C[6])(NHS)	N[6](C[6]C[6]C)(C[6]N[6]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<4>,2|N<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NHS){1|C<3>,2|C<4>}	117.1434	0.241	7	117.1434	0.058	7	117.3405	0.412	31	117.3449	0.488	38	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:3:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-4:	N[6]-3:N[6]-2:S-3:	N[6](C[6]C[6]C)(C[6]N[6]S)	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C[6](N[6]C[6]Ag)(N[6]C[6])(SAg2)	N[6](C[6]C[6]C)(C[6]N[6]S){1|Ag<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<4>,1|N<3>,1|S<3>}	C[6](N[6]C[6]Ag)(N[6]C[6])(SAg2){1|C<3>,2|C<4>}	116.2910	0.000	1	116.2910	0.000	1	116.8808	0.379	4	117.3449	0.488	38	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:3:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-4:	N[6]-3:N[6]-2:S-3:	N[6](C[6]C[6]C)(C[6]N[6]S)	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C[6](N[6]C[6]Cd)(N[6]C[6])(SCd2)	N[6](C[6]C[6]C)(C[6]N[6]S){1|Cd<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<4>,1|N<3>,1|S<3>}	C[6](N[6]C[6]Cd)(N[6]C[6])(SCd2){1|C<3>,2|C<4>}	117.0773	0.580	3	117.0773	0.336	3	116.8808	0.379	4	117.3449	0.488	38	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:3:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:C-4:	C[6]-3:N[6]-2:N-3:	N[6](C[6]C[6]N)(C[6]N[6]C)	C[6](N[6]C[6]H)(N[6]C[6])(CH3)	C[6](C[6]C[6]C)(N[6]C[6])(NHH)	N[6](C[6]C[6]N)(C[6]N[6]C){1|C<2>,1|C<4>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(N[6]C[6])(NHH){1|H<1>,1|N<3>,2|C<4>}	116.7580	0.000	1	116.7580	0.000	1	118.0097	1.182	3	117.3449	0.488	38	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:3:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:C-4:	C[6]-3:N[6]-2:N-3:	N[6](C[6]C[6]N)(C[6]N[6]C)	C[6](N[6]C[6]H)(N[6]C[6])(CH3)	C[6](C[6]C[6]Cl)(N[6]C[6])(NHH)	N[6](C[6]C[6]N)(C[6]N[6]C){1|Cl<1>,1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]Cl)(N[6]C[6])(NHH){1|N<3>,2|C<4>}	118.6355	0.117	2	118.6355	0.014	2	118.0097	1.182	3	117.3449	0.488	38	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-4:	C[6]-3:N[6]-2:C-4:	N[6](C[6]C[6]C)2	C[6](C[6]N[6]C)(N[6]C[6])(CH3)	C[6](C[6]N[6]C)(N[6]C[6])(CH3)	N[6](C[6]C[6]C)2{1|N<3>,2|C<4>}	C[6](C[6]N[6]C)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]C)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|H<1>}	120.5865	0.430	4	119.8373	0.976	7	118.7354	1.803	24	118.6803	1.636	27	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-4:	C[6]-3:N[6]-2:C-4:	N[6](C[6]C[6]C)2	C[6](C[6]N[6]C)(N[6]C[6])(CH3)	C[6](C[6]N[6]C)(N[6]C[6])(CH3)	N[6](C[6]C[6]C)2{1|N<3>,2|C<4>}	C[6](C[6]N[6]C)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]N[6]C)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|O<1>}	118.7370	0.037	2	119.8373	0.976	7	118.7354	1.803	24	118.6803	1.636	27	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-4:	C[6]-3:N[6]-2:C-4:	N[6](C[6]C[6]C)2	C[6](C[6]N[6]C)(N[6]C[6])(CH3)	C[6](C[6]N[6]C)(N[6]C[6])(CH3)	N[6](C[6]C[6]C)2{1|N<3>,2|C<4>}	C[6](C[6]N[6]C)(N[6]C[6])(CH3){1|C<3>,2|C<4>}	C[6](C[6]N[6]C)(N[6]C[6])(CH3){1|C<3>,2|C<4>}	119.0410	0.000	1	119.8373	0.976	7	118.7354	1.803	24	118.6803	1.636	27	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-4:	C[6]-3:N[6]-2:C-4:	N[6](C[6]C[6]C)2	C[6](C[6]N[6]C)(N[6]C[6])(CH3)	C[6](C[6]N[6]H)(N[6]C[6])(CH3)	N[6](C[6]C[6]C)2{1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[6]C)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|H<1>}	119.5393	0.380	6	119.5393	0.144	6	118.7354	1.803	24	118.6803	1.636	27	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-4:	C[6]-3:N[6]-2:C-4:	N[6](C[6]C[6]C)2	C[6](C[6]N[6]C)(N[6]C[6])(CHHN)	C[6](C[6]N[6]C)(N[6]C[6])(CHHN)	N[6](C[6]C[6]C)2{1|N<3>,2|C<4>}	C[6](C[6]N[6]C)(N[6]C[6])(CHHN){1|Cd<5>,1|C<3>,1|C<4>}	C[6](C[6]N[6]C)(N[6]C[6])(CHHN){1|Cd<5>,1|C<3>,1|C<4>}	118.8960	0.000	1	118.8960	0.000	1	118.7354	1.803	24	118.6803	1.636	27	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-4:	C[6]-3:N[6]-2:C-4:	N[6](C[6]C[6]C)2	C[6](C[6]N[6]H)(N[6]C[6])(CH3)	C[6](C[6]N[6]H)(N[6]C[6])(CH3)	N[6](C[6]C[6]C)2{1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|W<6>}	C[6](C[6]N[6]H)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|W<6>}	116.1520	0.400	2	117.4657	0.707	10	118.7354	1.803	24	118.6803	1.636	27	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-4:	C[6]-3:N[6]-2:C-4:	N[6](C[6]C[6]C)2	C[6](C[6]N[6]H)(N[6]C[6])(CH3)	C[6](C[6]N[6]H)(N[6]C[6])(CH3)	N[6](C[6]C[6]C)2{1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(CH3){1|Co<6>,1|C<3>,1|C<4>}	C[6](C[6]N[6]H)(N[6]C[6])(CH3){1|Co<6>,1|C<3>,1|C<4>}	118.2480	0.216	2	117.4657	0.707	10	118.7354	1.803	24	118.6803	1.636	27	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-4:	C[6]-3:N[6]-2:C-4:	N[6](C[6]C[6]C)2	C[6](C[6]N[6]H)(N[6]C[6])(CH3)	C[6](C[6]N[6]H)(N[6]C[6])(CH3)	N[6](C[6]C[6]C)2{1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(CH3){1|Cu<5>,1|C<3>,1|C<4>}	C[6](C[6]N[6]H)(N[6]C[6])(CH3){1|Cu<5>,1|C<3>,1|C<4>}	117.5500	0.000	1	117.4657	0.707	10	118.7354	1.803	24	118.6803	1.636	27	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-4:	C[6]-3:N[6]-2:C-4:	N[6](C[6]C[6]C)2	C[6](C[6]N[6]H)(N[6]C[6])(CH3)	C[6](C[6]N[6]H)(N[6]C[6])(CH3)	N[6](C[6]C[6]C)2{1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(CH3){1|Mn<6>,1|C<3>,1|C<4>}	C[6](C[6]N[6]H)(N[6]C[6])(CH3){1|Mn<6>,1|C<3>,1|C<4>}	117.9790	0.000	1	117.4657	0.707	10	118.7354	1.803	24	118.6803	1.636	27	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-4:	C[6]-3:N[6]-2:C-4:	N[6](C[6]C[6]C)2	C[6](C[6]N[6]H)(N[6]C[6])(CH3)	C[6](C[6]N[6]H)(N[6]C[6])(CH3)	N[6](C[6]C[6]C)2{1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(CH3){1|Ni<6>,1|C<3>,1|C<4>}	C[6](C[6]N[6]H)(N[6]C[6])(CH3){1|Ni<6>,1|C<3>,1|C<4>}	117.1905	0.023	2	117.4657	0.707	10	118.7354	1.803	24	118.6803	1.636	27	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-4:	C[6]-3:N[6]-2:C-4:	N[6](C[6]C[6]C)2	C[6](C[6]N[6]H)(N[6]C[6])(CH3)	C[6](C[6]N[6]H)(N[6]C[6])(CH3)	N[6](C[6]C[6]C)2{1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(CH3){1|Zn<4>,1|C<3>,1|C<4>}	C[6](C[6]N[6]H)(N[6]C[6])(CH3){1|Zn<4>,1|C<3>,1|C<4>}	117.9735	0.738	2	117.4657	0.707	10	118.7354	1.803	24	118.6803	1.636	27	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:4:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:C-4:	C[6]-3:N[6]-2:C-4:	N[6](C[6]C[6]C)(C[6]N[6]C)	C[6](N[6]C[6]H)(N[6]C[6])(CH3)	C[6](C[6]C[6]Cl)(N[6]C[6])(CH3)	N[6](C[6]C[6]C)(C[6]N[6]C){1|Cl<1>,1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]Cl)(N[6]C[6])(CH3){1|C<4>,2|N<3>}	117.9920	0.194	2	117.9920	0.038	2	118.2397	0.203	3	118.6803	1.636	27	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:4:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:C-4:	C[6]-3:N[6]-2:C-4:	N[6](C[6]C[6]C)(C[6]N[6]C)	C[6](N[6]C[6]Pd)(N[6]C[6])(CH3)	C[6](C[6]C[6]I)(N[6]C[6])(CH3)	N[6](C[6]C[6]C)(C[6]N[6]C){1|Pd<4>,1|C<3>,1|I<1>}	C[6](N[6]C[6]Pd)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[6]I)(N[6]C[6])(CH3){1|C<4>,1|N<2>,1|N<3>}	118.7350	0.000	1	118.7350	0.000	1	118.2397	0.203	3	118.6803	1.636	27	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	2:2:1:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:N[6]-2:	N[6]-2:S[6]-2:S-1:	N[6](C[6]C[6a]C[6])(C[6]S[6]S)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6])	C[6](N[6]C[6])(S[6]C[6])(S)	N[6](C[6]C[6a]C[6])(C[6]S[6]S){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]){1|S<1>,1|S<2>,2|H<1>,3|C<3>}	C[6](N[6]C[6])(S[6]C[6])(S){3|C<3>}	123.5980	0.000	1	123.5980	0.000	1	123.5980	0.000	1	123.5980	0.000	1	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	2:2:2:	C[6]-3:C[6]-3:	N[5]-3:N[6]-3:N[6]-2:	N[6]-2:N[6]-2:N-2:	N[6](C[6]N[5]N[6])(C[6]N[6]N)	C[6](N[5]C[5]N[5])(N[6]C[6]Ni)(N[6]C[6])	C[6](N[6]C[6])2(NC)	N[6](C[6]N[5]N[6])(C[6]N[6]N){1|Ni<6>,1|N<3>,2|C<3>}	C[6](N[5]C[5]N[5])(N[6]C[6]Ni)(N[6]C[6]){1|C<4>,1|N<3>,2|C<3>,2|N<2>}	C[6](N[6]C[6])2(NC){3|N<3>}	113.7205	0.175	2	113.7205	0.031	2	113.7205	0.031	2	113.7205	0.031	2	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	2:2:3:	C[6]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	O[6]-2:N[6]-2:C-3:	N[6](C[6]C[6,6a]C[6a])(C[6]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6](O[6]C[6,6a])(N[6]C[6])(CC[5a]N)	N[6](C[6]C[6,6a]C[6a])(C[6]O[6]C){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|O<2>,3|H<1>,5|C<3>}	C[6](O[6]C[6,6a])(N[6]C[6])(CC[5a]N){3|C<3>}	120.5410	0.000	1	120.5410	0.000	1	120.5508	0.411	5	114.9386	4.311	54	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	2:2:3:	C[6]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	O[6]-2:N[6]-2:C-3:	N[6](C[6]C[6,6a]C[6a])(C[6]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6](O[6]C[6,6a])(N[6]C[6])(CC[6a]N)	N[6](C[6]C[6,6a]C[6a])(C[6]O[6]C){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|O<2>,3|H<1>,5|C<3>}	C[6](O[6]C[6,6a])(N[6]C[6])(CC[6a]N){3|C<3>}	120.5533	0.741	4	120.5533	0.549	4	120.5508	0.411	5	114.9386	4.311	54	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	2:2:3:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:N[6]-2:	N[6]-2:N[6]-2:N-3:	N[6](C[6]C[6]N[6])(C[6]N[6]N)	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(N[6]C[6])	C[6](N[6]C[6])2(NHH)	N[6](C[6]C[6]N[6])(C[6]N[6]N){1|Cd<5>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(N[6]C[6]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6](N[6]C[6])2(NHH){1|N<3>,2|C<3>}	114.3720	0.351	2	114.3720	0.123	2	114.1688	0.194	29	114.9386	4.311	54	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	2:2:3:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:N[6]-2:	N[6]-2:N[6]-2:N-3:	N[6](C[6]C[6]N[6])(C[6]N[6]N)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(N[6]C[6])	C[6](N[6]C[6])2(NHH)	N[6](C[6]C[6]N[6])(C[6]N[6]N){1|Co<6>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(N[6]C[6]){1|H<1>,1|N<2>,2|C<3>,2|N<3>}	C[6](N[6]C[6])2(NHH){1|C<3>,2|N<3>}	114.4730	0.239	2	114.4730	0.057	2	114.1688	0.194	29	114.9386	4.311	54	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	2:2:3:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:N[6]-2:	N[6]-2:N[6]-2:N-3:	N[6](C[6]C[6]N[6])(C[6]N[6]N)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(N[6]C[6])	C[6](N[6]C[6])2(NHH)	N[6](C[6]C[6]N[6])(C[6]N[6]N){1|Cu<5>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(N[6]C[6]){1|C<3>,1|H<1>,2|N<2>,2|N<3>}	C[6](N[6]C[6])2(NHH){1|C<3>,2|N<3>}	114.2345	0.093	2	114.1082	0.135	11	114.1688	0.194	29	114.9386	4.311	54	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	2:2:3:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:N[6]-2:	N[6]-2:N[6]-2:N-3:	N[6](C[6]C[6]N[6])(C[6]N[6]N)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(N[6]C[6])	C[6](N[6]C[6])2(NHH)	N[6](C[6]C[6]N[6])(C[6]N[6]N){1|Cu<5>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(N[6]C[6]){1|H<1>,1|N<2>,2|C<3>,2|N<3>}	C[6](N[6]C[6])2(NHH){1|C<3>,2|N<3>}	114.0801	0.404	9	114.1082	0.135	11	114.1688	0.194	29	114.9386	4.311	54	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	2:2:3:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:N[6]-2:	N[6]-2:N[6]-2:N-3:	N[6](C[6]C[6]N[6])(C[6]N[6]N)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(N[6]C[6])	C[6](N[6]C[6])2(NHH)	N[6](C[6]C[6]N[6])(C[6]N[6]N){1|Fe<6>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(N[6]C[6]){1|H<1>,1|N<2>,2|C<3>,2|N<3>}	C[6](N[6]C[6])2(NHH){1|C<3>,2|N<3>}	113.8820	0.137	3	113.8820	0.019	3	114.1688	0.194	29	114.9386	4.311	54	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	2:2:3:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:N[6]-2:	N[6]-2:N[6]-2:N-3:	N[6](C[6]C[6]N[6])(C[6]N[6]N)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(N[6]C[6])	C[6](N[6]C[6])2(NHH)	N[6](C[6]C[6]N[6])(C[6]N[6]N){1|Mn<6>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(N[6]C[6]){1|H<1>,1|N<2>,2|C<3>,2|N<3>}	C[6](N[6]C[6])2(NHH){1|C<3>,2|N<3>}	114.0850	0.000	1	114.0850	0.000	1	114.1688	0.194	29	114.9386	4.311	54	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	2:2:3:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:N[6]-2:	N[6]-2:N[6]-2:N-3:	N[6](C[6]C[6]N[6])(C[6]N[6]N)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(N[6]C[6])	C[6](N[6]C[6])2(NHH)	N[6](C[6]C[6]N[6])(C[6]N[6]N){1|Ni<6>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(N[6]C[6]){1|C<3>,1|H<1>,2|N<2>,2|N<3>}	C[6](N[6]C[6])2(NHH){1|C<3>,2|N<3>}	113.8115	0.161	2	113.9488	0.272	5	114.1688	0.194	29	114.9386	4.311	54	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	2:2:3:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:N[6]-2:	N[6]-2:N[6]-2:N-3:	N[6](C[6]C[6]N[6])(C[6]N[6]N)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(N[6]C[6])	C[6](N[6]C[6])2(NHH)	N[6](C[6]C[6]N[6])(C[6]N[6]N){1|Ni<6>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(N[6]C[6]){1|H<1>,1|N<2>,2|C<3>,2|N<3>}	C[6](N[6]C[6])2(NHH){1|C<3>,2|N<3>}	114.0403	0.707	3	113.9488	0.272	5	114.1688	0.194	29	114.9386	4.311	54	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	2:2:3:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:N[6]-2:	N[6]-2:N[6]-2:N-3:	N[6](C[6]C[6]N[6])(C[6]N[6]N)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(N[6]C[6])	C[6](N[6]C[6])2(NHH)	N[6](C[6]C[6]N[6])(C[6]N[6]N){1|Pd<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(N[6]C[6]){1|H<1>,1|N<2>,2|C<3>,2|N<3>}	C[6](N[6]C[6])2(NHH){1|C<3>,2|N<3>}	114.4660	0.000	1	114.4660	0.000	1	114.1688	0.194	29	114.9386	4.311	54	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	2:2:3:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:N[6]-2:	N[6]-2:N[6]-2:N-3:	N[6](C[6]C[6]N[6])(C[6]N[6]N)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(N[6]C[6])	C[6](N[6]C[6])2(NC[6a]H)	N[6](C[6]C[6]N[6])(C[6]N[6]N){1|Re<6>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(N[6]C[6]){1|H<1>,1|N<2>,1|N<3>,1|N<4>,2|C<3>}	C[6](N[6]C[6])2(NC[6a]H){1|C<3>,1|N<3>,1|N<4>}	114.3200	0.000	1	114.3200	0.000	1	114.1688	0.194	29	114.9386	4.311	54	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	2:2:3:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:N[6]-2:	N[6]-2:N[6]-2:N-3:	N[6](C[6]C[6]N[6])(C[6]N[6]N)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(N[6]C[6])	C[6](N[6]C[6])2(NCC)	N[6](C[6]C[6]N[6])(C[6]N[6]N){1|Ru<6>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(N[6]C[6]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6](N[6]C[6])2(NCC){1|N<3>,2|C<3>}	114.9885	0.606	2	114.9885	0.367	2	114.1688	0.194	29	114.9386	4.311	54	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	2:2:3:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:N[6]-2:	N[6]-2:N[6]-2:N-3:	N[6](C[6]C[6]N[6])(C[6]N[6]N)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(N[6]C[6])	C[6](N[6]C[6])2(NHH)	N[6](C[6]C[6]N[6])(C[6]N[6]N){1|Zn<6>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(N[6]C[6]){1|H<1>,1|N<2>,2|C<3>,2|N<3>}	C[6](N[6]C[6])2(NHH){1|C<3>,2|N<3>}	113.7760	0.000	1	113.7760	0.000	1	114.1688	0.194	29	114.9386	4.311	54	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	2:2:3:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:N[6]-2:	C[6]-2:N[6]-2:C-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]C)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6])	C[6](C[6]C[6])(N[6]C[6])(COO)	N[6](C[6]C[6a]C[6])(C[6]C[6]C){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6])(N[6]C[6])(COO){3|C<3>}	119.8650	0.000	1	119.8650	0.000	1	119.8650	0.000	1	114.9386	4.311	54	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	2:2:3:	C[6]-3:C[6]-3:	C[6a]-3:N[6]-3:N[6]-2:	N[6]-2:N[6]-2:N-3:	N[6](C[6]C[6a]N[6])(C[6]N[6]N)	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])	C[6](N[6]C[6])2(NHH)	N[6](C[6]C[6a]N[6])(C[6]N[6]N){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6]){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[6](N[6]C[6])2(NHH){1|C<3>,2|N<3>}	116.0805	0.207	4	116.0805	0.043	4	116.0805	0.043	4	114.9386	4.311	54	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	2:2:3:	C[6]-3:C[6]-3:	N[5]-3:N[6]-3:N[6]-2:	N[6]-2:N[6]-2:N-3:	N[6](C[6]N[5]N[6])(C[6]N[6]N)	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Pd)(N[6]C[6])	C[6](N[6]C[6])2(NCC)	N[6](C[6]N[5]N[6])(C[6]N[6]N){1|Pd<4>,3|C<3>}	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Pd)(N[6]C[6]){1|N<2>,2|C<3>,3|N<3>}	C[6](N[6]C[6])2(NCC){3|N<3>}	113.9260	0.144	2	113.9260	0.021	2	113.9231	0.116	15	114.9386	4.311	54	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	2:2:3:	C[6]-3:C[6]-3:	N[5]-3:N[6]-3:N[6]-2:	N[6]-2:N[6]-2:N-3:	N[6](C[6]N[5]N[6])(C[6]N[6]N)	C[6](N[5]C[5]N[5])(N[6]C[6]Co)(N[6]C[6])	C[6](N[6]C[6])2(NCC)	N[6](C[6]N[5]N[6])(C[6]N[6]N){1|Co<5>,1|N<3>,2|C<3>}	C[6](N[5]C[5]N[5])(N[6]C[6]Co)(N[6]C[6]){1|C<4>,1|N<2>,2|C<3>,2|N<3>}	C[6](N[6]C[6])2(NCC){3|N<3>}	114.0963	0.630	3	114.0963	0.397	3	113.9231	0.116	15	114.9386	4.311	54	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	2:2:3:	C[6]-3:C[6]-3:	N[5]-3:N[6]-3:N[6]-2:	N[6]-2:N[6]-2:N-3:	N[6](C[6]N[5]N[6])(C[6]N[6]N)	C[6](N[5]C[5]N[5])(N[6]C[6]Cu)(N[6]C[6])	C[6](N[6]C[6])2(NCC)	N[6](C[6]N[5]N[6])(C[6]N[6]N){1|Cu<5>,1|N<3>,2|C<3>}	C[6](N[5]C[5]N[5])(N[6]C[6]Cu)(N[6]C[6]){1|C<4>,1|N<2>,2|C<3>,2|N<3>}	C[6](N[6]C[6])2(NCC){3|N<3>}	113.8875	0.097	2	114.0382	0.030	6	113.9231	0.116	15	114.9386	4.311	54	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	2:2:3:	C[6]-3:C[6]-3:	N[5]-3:N[6]-3:N[6]-2:	N[6]-2:N[6]-2:N-3:	N[6](C[6]N[5]N[6])(C[6]N[6]N)	C[6](N[5]C[5]N[5])(N[6]C[6]Cu)(N[6]C[6])	C[6](N[6]C[6])2(NCC)	N[6](C[6]N[5]N[6])(C[6]N[6]N){1|Cu<6>,1|N<3>,2|C<3>}	C[6](N[5]C[5]N[5])(N[6]C[6]Cu)(N[6]C[6]){1|C<4>,1|N<2>,2|C<3>,2|N<3>}	C[6](N[6]C[6])2(NCC){3|N<3>}	114.1135	0.153	4	114.0382	0.030	6	113.9231	0.116	15	114.9386	4.311	54	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	2:2:3:	C[6]-3:C[6]-3:	N[5]-3:N[6]-3:N[6]-2:	N[6]-2:N[6]-2:N-3:	N[6](C[6]N[5]N[6])(C[6]N[6]N)	C[6](N[5]C[5]N[5])(N[6]C[6]Ni)(N[6]C[6])	C[6](N[6]C[6])2(NCC)	N[6](C[6]N[5]N[6])(C[6]N[6]N){1|Ni<6>,1|N<3>,2|C<3>}	C[6](N[5]C[5]N[5])(N[6]C[6]Ni)(N[6]C[6]){1|C<4>,1|N<2>,2|C<3>,2|N<3>}	C[6](N[6]C[6])2(NCC){3|N<3>}	113.4525	0.093	2	113.4525	0.009	2	113.9231	0.116	15	114.9386	4.311	54	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	2:2:3:	C[6]-3:C[6]-3:	N[5]-3:N[6]-3:N[6]-2:	N[6]-2:N[6]-2:N-3:	N[6](C[6]N[5]N[6])(C[6]N[6]N)	C[6](N[5]C[5]N[5])(N[6]C[6]V)(N[6]C[6])	C[6](N[6]C[6])2(NCC)	N[6](C[6]N[5]N[6])(C[6]N[6]N){1|N<3>,1|V<7>,2|C<3>}	C[6](N[5]C[5]N[5])(N[6]C[6]V)(N[6]C[6]){1|C<4>,1|N<2>,2|C<3>,2|N<3>}	C[6](N[6]C[6])2(NCC){3|N<3>}	113.7860	0.075	2	113.7860	0.006	2	113.9231	0.116	15	114.9386	4.311	54	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	C[5]-3:C[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[5]C[6])(C[6]C[6]H)	C[6](C[5]N[5]2)(C[6]N[6]H)(N[6]C[6])	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[5]C[6])(C[6]C[6]H){1|N<2>,2|H<1>,2|N<3>}	C[6](C[5]N[5]2)(C[6]N[6]H)(N[6]C[6]){1|Mn<6>,1|H<1>,2|C<3>,2|N<3>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Mn<6>,2|C<3>}	115.6720	0.000	1	115.6720	0.000	1	115.6720	0.000	1	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	C[5]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[5]N[6])(C[6]C[6]H)	C[6](C[5]C[5,6a]C[5])(N[6]C[6]H)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[5]N[6])(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[5]C[5,6a]C[5])(N[6]C[6]H)(N[6]C[6]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	117.0320	0.000	1	117.0320	0.000	1	117.0320	0.000	1	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	C[5a]-3:C[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[5a]C[6])(C[6]C[6]H)	C[6](C[5a]N[5a]O[5a])(C[6]N[6]H)(N[6]C[6])	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[5a]C[6])(C[6]C[6]H){1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[5a]N[5a]O[5a])(C[6]N[6]H)(N[6]C[6]){1|Co<6>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Co<6>,2|C<3>}	115.5860	0.000	1	115.5860	0.000	1	115.5860	0.000	1	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	C[5a]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[5a]N[6])(C[6]C[6]H)	C[6](C[5a]N[5a]2)(N[6]C[6]Fe)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[5a]N[6])(C[6]C[6]H){1|Fe<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Fe)(N[6]C[6]){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	115.3785	0.261	4	115.3785	0.068	4	115.1461	0.302	8	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	C[5a]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[5a]N[6])(C[6]C[6]H)	C[6](C[5a]N[5a]2)(N[6]C[6]Mn)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[5a]N[6])(C[6]C[6]H){1|Mn<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Mn)(N[6]C[6]){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	115.3120	0.000	1	115.3120	0.000	1	115.1461	0.302	8	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	C[5a]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[5a]N[6])(C[6]C[6]H)	C[6](C[5a]N[5a]2)(N[6]C[6]Ni)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[5a]N[6])(C[6]C[6]H){1|Ni<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Ni)(N[6]C[6]){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	114.7810	0.795	3	114.7810	0.633	3	115.1461	0.302	8	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]N[6])2(N[6]C[6])	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]2)(C[6]C[6]H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6]C[6]N[6])2(N[6]C[6]){2|Ag<5>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Ag<5>,2|C<3>}	117.1680	0.000	1	117.1393	0.028	3	117.1393	0.028	3	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]N[6])2(N[6]C[6])	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]2)(C[6]C[6]H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6]C[6]N[6])2(N[6]C[6]){2|Cu<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Cu<4>,2|C<3>}	117.1250	0.232	2	117.1393	0.028	3	117.1393	0.028	3	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:N[6]-2:	N[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]2)(C[6]N[6]H)	C[6](C[6]N[5,6]C[6])(C[6]C[6]Br)(N[6]C[6])	C[6](N[6]C[6]Zn)(N[6]C[6])(H)	N[6](C[6]C[6]2)(C[6]N[6]H){1|Br<1>,1|Zn<4>,1|N<3>,2|C<3>}	C[6](C[6]N[5,6]C[6])(C[6]C[6]Br)(N[6]C[6]){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6](N[6]C[6]Zn)(N[6]C[6])(H){1|H<1>,2|C<3>}	117.5440	0.000	1	117.5440	0.000	1	117.5440	0.000	1	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6])	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]){1|Ir<6>,3|H<1>,5|C<3>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Ir<6>,2|C<3>}	117.9310	0.000	1	117.9310	0.000	1	117.8180	0.010	3	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6])	C[6](C[6]N[6]S)(N[6]C[6])(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H){1|N<3>,1|S<1>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6]N[6]S)(N[6]C[6])(H){1|C<4>,2|C<3>}	117.7615	0.008	2	117.7615	0.000	2	117.8180	0.010	3	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]N[6])(C[6]C[6]H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(N[6]C[6]){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>}	114.6970	1.187	2	114.6970	1.408	2	116.0457	1.634	6	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(N[6]C[6])	C[6](C[6]C[6]Cl)(N[6]C[6])(H)	N[6](C[6]C[6]N[6])(C[6]C[6]H){1|Cl<1>,1|Ru<6>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(N[6]C[6]){3|C<3>,3|H<1>}	C[6](C[6]C[6]Cl)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	117.2900	0.017	2	117.2900	0.000	2	116.0457	1.634	6	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]N[6]2)(N[6]C[6]H)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]N[6])(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]N[6]2)(N[6]C[6]H)(N[6]C[6]){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	116.1500	0.089	2	116.1500	0.008	2	116.0457	1.634	6	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:N[6]-2:	N[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]N[6])(C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]C[6]2)(N[6]C[6])	C[6](N[6]C[6]Pd)(N[6]C[6])(H)	N[6](C[6]C[6]N[6])(C[6]N[6]H){1|Pd<4>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]H)(N[6]C[6]2)(N[6]C[6]){1|N<3>,3|C<4>,5|H<1>}	C[6](N[6]C[6]Pd)(N[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>}	116.2240	0.000	1	116.2240	0.000	1	116.2240	0.000	1	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H){1|C<2>,1|C<3>,1|N<2>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6])(H){2|C<3>}	116.2790	0.000	1	116.2790	0.000	1	117.4077	0.962	10	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6])	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]){1|Ag<5>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Ag<5>,2|C<3>}	115.4570	0.000	1	117.5733	1.018	8	117.4077	0.962	10	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6])	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]){1|Cu<5>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Cu<5>,2|C<3>}	117.8710	0.000	1	117.5733	1.018	8	117.4077	0.962	10	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6])	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]){1|Mn<6>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Mn<6>,2|C<3>}	117.3260	0.000	1	117.5733	1.018	8	117.4077	0.962	10	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6])	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]){1|Pd<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Pd<4>,2|C<3>}	117.2790	0.000	1	117.5733	1.018	8	117.4077	0.962	10	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6])	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]){1|Pt<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Pt<4>,2|C<3>}	118.0443	0.653	3	117.5733	1.018	8	117.4077	0.962	10	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6])	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]){1|Pt<6>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Pt<6>,2|C<3>}	118.5200	0.000	1	117.5733	1.018	8	117.4077	0.962	10	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)	C[6](C[6a]C[6a]N[6a])(C[6]N[6]H)(N[6]C[6])	C[6](C[6]C[6]N[6])(N[6]C[6])(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]N[6]H)(N[6]C[6]){1|Ir<6>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6])(H){1|Ir<6>,1|N<3>,3|C<3>}	117.2120	0.000	1	117.2120	0.000	1	117.4077	0.962	10	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:N[6]-2:	N[6]-3:N[6]-2:H-1:	N[6](C[6]C[6a]C[6])(C[6]N[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6])	C[6](N[6]C[6]Ir)(N[6]C[6])(H)	N[6](C[6]C[6a]C[6])(C[6]N[6]H){1|Ir<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]){1|N<3>,3|C<3>,3|H<1>}	C[6](N[6]C[6]Ir)(N[6]C[6])(H){3|C<3>}	116.9015	0.439	2	116.9015	0.193	2	116.5993	0.370	3	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:N[6]-2:	N[6]-3:N[6]-2:H-1:	N[6](C[6]C[6a]C[6])(C[6]N[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6])	C[6](N[6]C[6]Mn)(N[6]C[6])(H)	N[6](C[6]C[6a]C[6])(C[6]N[6]H){1|Mn<8>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]){1|Mn<8>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6]Mn)(N[6]C[6])(H){1|C<4>,2|C<3>}	115.9950	0.000	1	115.9950	0.000	1	116.5993	0.370	3	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:N[6]-2:	N[6]-3:N[6]-2:S-1:	N[6](C[6]C[6a]C[6])(C[6]N[6]S)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6])	C[6](N[6]C[6]C)(N[6]C[6])(S)	N[6](C[6]C[6a]C[6])(C[6]N[6]S){1|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]){1|N<3>,1|S<1>,2|C<3>,3|H<1>}	C[6](N[6]C[6]C)(N[6]C[6])(S){1|H<1>,2|C<3>}	121.5445	0.224	2	121.5445	0.050	2	121.5445	0.050	2	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6a]N[6])(C[6]C[6]H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(N[6]C[6])	C[6](C[6]C[6]F)(N[6]C[6])(H)	N[6](C[6]C[6a]N[6])(C[6]C[6]H){1|Ir<6>,1|F<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(N[6]C[6]){1|C<3>,2|N<2>,3|H<1>}	C[6](C[6]C[6]F)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	116.9970	0.494	2	116.9970	0.244	2	116.5839	0.329	21	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6a]N[6])(C[6]C[6]H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6a]N[6])(C[6]C[6]H){1|Ir<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(N[6]C[6]){1|F<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	116.4708	0.699	4	116.3897	0.275	12	116.5839	0.329	21	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6a]N[6])(C[6]C[6]H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6a]N[6])(C[6]C[6]H){1|Ir<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(N[6]C[6]){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	116.3491	0.466	8	116.3897	0.275	12	116.5839	0.329	21	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6a]N[6])(C[6]C[6]H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6a]N[6])(C[6]C[6]H){1|Pt<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(N[6]C[6]){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	116.0570	0.000	1	116.3453	0.161	3	116.5839	0.329	21	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6a]N[6])(C[6]C[6]H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6a]N[6])(C[6]C[6]H){1|Pt<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(N[6]C[6]){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	116.4895	0.443	2	116.3453	0.161	3	116.5839	0.329	21	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6a]N[6])(C[6]C[6]H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6a]N[6])(C[6]C[6]H){1|Ru<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(N[6]C[6]){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	117.8070	0.000	1	117.8070	0.000	1	116.5839	0.329	21	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6a]N[6])(C[6]C[6]H)	C[6](C[6a]N[6a]2)(N[6]C[6]H)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6a]N[6])(C[6]C[6]H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6a]N[6a]2)(N[6]C[6]H)(N[6]C[6]){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	116.9160	0.317	3	116.9160	0.100	3	116.5839	0.329	21	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-2:S-1:	N[6](C[6]C[6a]N[6])(C[6]C[6]S)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6])	C[6](C[6]C[6]C)(N[6]C[6])(S)	N[6](C[6]C[6a]N[6])(C[6]C[6]S){1|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]){1|C<4>,1|S<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6])(S){1|C<3>,1|C<4>,1|N<3>}	120.0325	0.070	2	120.0325	0.005	2	120.0325	0.005	2	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	N[5]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]N[5]N[6])(C[6]C[6]H)	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Ir)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]N[5]N[6])(C[6]C[6]H){1|Ir<8>,1|C<4>,1|H<1>,2|C<3>}	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Ir)(N[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,2|N<3>}	117.1140	0.000	1	117.1140	0.000	1	114.8218	1.314	14	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	N[5]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]N[5]N[6])(C[6]C[6]H)	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Mn)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]N[5]N[6])(C[6]C[6]H){1|Mn<6>,1|H<1>,3|C<3>}	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Mn)(N[6]C[6]){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,2|N<3>}	115.0040	0.000	1	115.0040	0.000	1	114.8218	1.314	14	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	N[5]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]N[5]N[6])(C[6]C[6]H)	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Ni)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]N[5]N[6])(C[6]C[6]H){1|Ni<6>,1|H<1>,3|C<3>}	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Ni)(N[6]C[6]){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,2|N<3>}	114.0990	0.362	2	114.0990	0.131	2	114.8218	1.314	14	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	N[5]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]N[5]N[6])(C[6]C[6]H)	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Re)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]N[5]N[6])(C[6]C[6]H){1|Re<6>,1|H<1>,3|C<3>}	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Re)(N[6]C[6]){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,2|N<3>}	115.2710	0.000	1	115.2710	0.000	1	114.8218	1.314	14	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	N[5]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]N[5]N[6])(C[6]C[6]H)	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Rh)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]N[5]N[6])(C[6]C[6]H){1|Rh<8>,1|C<4>,1|H<1>,2|C<3>}	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Rh)(N[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,2|N<3>}	116.6610	0.000	1	116.6610	0.000	1	114.8218	1.314	14	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	N[5]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]N[5]N[6])(C[6]C[6]H)	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Ru)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]N[5]N[6])(C[6]C[6]H){1|Ru<9>,1|H<1>,3|C<3>}	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Ru)(N[6]C[6]){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,2|N<3>}	114.9260	0.000	1	114.9260	0.000	1	114.8218	1.314	14	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	N[5]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]N[5]N[6])(C[6]C[6]H)	C[6](N[5]C[5]N[5])(N[6]C[6]Pd)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]N[5]N[6])(C[6]C[6]H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[5]C[5]N[5])(N[6]C[6]Pd)(N[6]C[6]){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,2|N<3>}	114.0620	0.000	1	114.0620	0.000	1	114.8218	1.314	14	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	N[5]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]N[5]N[6])(C[6]C[6]H)	C[6](N[5]C[5]N[5])(N[6]C[6]Rh)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]N[5]N[6])(C[6]C[6]H){1|Rh<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[5]C[5]N[5])(N[6]C[6]Rh)(N[6]C[6]){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,2|N<3>}	114.4965	1.524	2	114.4965	2.322	2	114.8218	1.314	14	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	N[5]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]N[5]N[6])(C[6]C[6]H)	C[6](N[5]C[5]N[5])(N[6]C[6]Ru)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]N[5]N[6])(C[6]C[6]H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[5]C[5]N[5])(N[6]C[6]Ru)(N[6]C[6]){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,2|N<3>}	114.3190	0.984	4	114.3190	0.968	4	114.8218	1.314	14	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	N[5a]-3:C[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]N[5a]C[6])(C[6]C[6]H)	C[6](N[5a]C[5a,6a]2)(C[6]N[6]H)(N[6]C[6])	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]N[5a]C[6])(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[5a]C[5a,6a]2)(C[6]N[6]H)(N[6]C[6]){1|Cu<5>,1|H<1>,5|C<3>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Cu<5>,1|C<3>,1|N<3>}	116.8320	0.000	1	116.8320	0.000	1	116.8320	0.000	1	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	N[5a]-3:C[6]-3:N[6]-2:	N[6]-3:N[6]-2:H-1:	N[6](C[6]N[5a]C[6])(C[6]N[6]H)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6])	C[6](N[6]C[6]Fe)(N[6]C[6])(H)	N[6](C[6]N[5a]C[6])(C[6]N[6]H){1|Fe<6>,1|H<1>,1|N<2>,2|C<3>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]){2|C<3>,2|H<1>,2|N<3>}	C[6](N[6]C[6]Fe)(N[6]C[6])(H){1|C<3>,2|N<3>}	115.2957	0.225	4	115.2957	0.051	4	115.7212	0.943	5	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	N[5a]-3:C[6]-3:N[6]-2:	N[6]-3:N[6]-2:H-1:	N[6](C[6]N[5a]C[6])(C[6]N[6]H)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6])	C[6](N[6]C[6]Pd)(N[6]C[6])(H)	N[6](C[6]N[5a]C[6])(C[6]N[6]H){1|Pd<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]){2|C<3>,2|H<1>,2|N<3>}	C[6](N[6]C[6]Pd)(N[6]C[6])(H){1|C<3>,2|N<3>}	117.4230	0.000	1	117.4230	0.000	1	115.7212	0.943	5	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	N[5a]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]N[5a]N[6])(C[6]C[6]H)	C[6](N[5a]C[5a,6a]2)(N[6]C[6]Pd)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]N[5a]N[6])(C[6]C[6]H){1|Pd<4>,1|H<1>,3|C<3>}	C[6](N[5a]C[5a,6a]2)(N[6]C[6]Pd)(N[6]C[6]){2|H<1>,5|C<3>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,2|N<3>}	117.5250	0.813	2	117.5250	0.661	2	116.1786	2.019	5	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	N[5a]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]N[5a]N[6])(C[6]C[6]H)	C[6](N[5a]C[5a,6a]C[5a])(N[6]C[6]Mn)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]N[5a]N[6])(C[6]C[6]H){1|Mn<6>,1|H<1>,3|C<3>}	C[6](N[5a]C[5a,6a]C[5a])(N[6]C[6]Mn)(N[6]C[6]){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,2|N<3>}	115.3020	0.000	1	115.3020	0.000	1	116.1786	2.019	5	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	N[5a]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]N[5a]N[6])(C[6]C[6]H)	C[6](N[5a]C[5a,6a]C[5a])(N[6]C[6]Rh)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]N[5a]N[6])(C[6]C[6]H){1|Rh<8>,1|H<1>,3|C<3>}	C[6](N[5a]C[5a,6a]C[5a])(N[6]C[6]Rh)(N[6]C[6]){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,2|N<3>}	115.2705	1.172	2	115.2705	1.373	2	116.1786	2.019	5	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:C[5]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[5]N[6])(C[6]C[6]H)	C[6](N[6]C[6]Cu)(C[5]N[5]2)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[5]N[6])(C[6]C[6]H){1|Cu<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Cu)(C[5]N[5]2)(N[6]C[6]){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	116.0650	0.000	1	115.6875	0.285	2	115.5178	0.266	9	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:C[5]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[5]N[6])(C[6]C[6]H)	C[6](N[6]C[6]Cu)(C[5]N[5]2)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[5]N[6])(C[6]C[6]H){1|Cu<4>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Cu)(C[5]N[5]2)(N[6]C[6]){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	115.3100	0.000	1	115.6875	0.285	2	115.5178	0.266	9	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:C[5]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[5]N[6])(C[6]C[6]H)	C[6](N[6]C[6]Fe)(C[5]N[5]2)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[5]N[6])(C[6]C[6]H){1|Fe<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Fe)(C[5]N[5]2)(N[6]C[6]){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	115.7370	0.812	3	115.7370	0.660	3	115.5178	0.266	9	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:C[5]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[5]N[6])(C[6]C[6]H)	C[6](N[6]C[6]Pd)(C[5]N[5]2)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[5]N[6])(C[6]C[6]H){1|Pd<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Pd)(C[5]N[5]2)(N[6]C[6]){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	115.3700	0.000	1	115.3700	0.000	1	115.5178	0.266	9	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:C[5]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[5]N[6])(C[6]C[6]H)	C[6](N[6]C[6]Zn)(C[5]N[5]2)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[5]N[6])(C[6]C[6]H){1|Zn<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Zn)(C[5]N[5]2)(N[6]C[6]){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	115.2347	0.172	3	115.2347	0.029	3	115.5178	0.266	9	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:C[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]N[6])(C[6]C[6]H)	C[6](N[6]C[6]Cd)(C[6]N[6]2)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]N[6])(C[6]C[6]H){1|Cd<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Cd)(C[6]N[6]2)(N[6]C[6]){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	116.2395	0.151	4	116.2395	0.023	4	116.0628	0.512	120	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:C[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]N[6])(C[6]C[6]H)	C[6](N[6]C[6]Cr)(C[6]N[6]2)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]N[6])(C[6]C[6]H){1|Cr<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Cr)(C[6]N[6]2)(N[6]C[6]){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	115.6870	0.000	1	115.6870	0.000	1	116.0628	0.512	120	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:C[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]N[6])(C[6]C[6]H)	C[6](N[6]C[6]Cu)(C[6]N[6]2)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]N[6])(C[6]C[6]H){1|Cu<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Cu)(C[6]N[6]2)(N[6]C[6]){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	116.0735	0.115	2	116.0735	0.013	2	116.0628	0.512	120	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:C[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]N[6])(C[6]C[6]H)	C[6](N[6]C[6]Eu)(C[6]N[6]2)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]N[6])(C[6]C[6]H){1|Eu<9>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Eu)(C[6]N[6]2)(N[6]C[6]){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	115.6070	0.586	4	115.6070	0.344	4	116.0628	0.512	120	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:C[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]N[6])(C[6]C[6]H)	C[6](N[6]C[6]Fe)(C[6]N[6]2)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]N[6])(C[6]C[6]H){1|Fe<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Fe)(C[6]N[6]2)(N[6]C[6]){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	115.8994	0.380	14	115.8994	0.144	14	116.0628	0.512	120	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:C[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]N[6])(C[6]C[6]H)	C[6](N[6]C[6]Mn)(C[6]N[6]2)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]N[6])(C[6]C[6]H){1|Mn<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Mn)(C[6]N[6]2)(N[6]C[6]){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	115.9902	0.734	28	115.9902	0.538	28	116.0628	0.512	120	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:C[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]N[6])(C[6]C[6]H)	C[6](N[6]C[6]Ni)(C[6]N[6]2)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]N[6])(C[6]C[6]H){1|Ni<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Ni)(C[6]N[6]2)(N[6]C[6]){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	115.7193	0.243	3	115.8603	0.045	7	116.0628	0.512	120	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:C[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]N[6])(C[6]C[6]H)	C[6](N[6]C[6]Ni)(C[6]N[6]2)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]N[6])(C[6]C[6]H){1|Ni<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Ni)(C[6]N[6]2)(N[6]C[6]){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	115.9660	0.128	4	115.8603	0.045	7	116.0628	0.512	120	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:C[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]N[6])(C[6]C[6]H)	C[6](N[6]C[6]Pd)(C[6]N[6]2)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]N[6])(C[6]C[6]H){1|Pd<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Pd)(C[6]N[6]2)(N[6]C[6]){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	116.1091	0.327	13	116.1436	0.101	15	116.0628	0.512	120	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:C[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]N[6])(C[6]C[6]H)	C[6](N[6]C[6]Pd)(C[6]N[6]2)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]N[6])(C[6]C[6]H){1|Pd<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Pd)(C[6]N[6]2)(N[6]C[6]){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	116.3680	0.143	2	116.1436	0.101	15	116.0628	0.512	120	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:C[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]N[6])(C[6]C[6]H)	C[6](N[6]C[6]Pt)(C[6]N[6]2)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]N[6])(C[6]C[6]H){1|Pt<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Pt)(C[6]N[6]2)(N[6]C[6]){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	116.4966	0.977	19	116.3861	0.997	22	116.0628	0.512	120	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:C[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]N[6])(C[6]C[6]H)	C[6](N[6]C[6]Pt)(C[6]N[6]2)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]N[6])(C[6]C[6]H){1|Pt<4>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Pt)(C[6]N[6]2)(N[6]C[6]){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	116.8630	0.000	1	116.3861	0.997	22	116.0628	0.512	120	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:C[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]N[6])(C[6]C[6]H)	C[6](N[6]C[6]Pt)(C[6]N[6]2)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]N[6])(C[6]C[6]H){1|Pt<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Pt)(C[6]N[6]2)(N[6]C[6]){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	115.0985	0.060	2	116.3861	0.997	22	116.0628	0.512	120	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:C[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]N[6])(C[6]C[6]H)	C[6](N[6]C[6]Re)(C[6]N[6]2)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]N[6])(C[6]C[6]H){1|Re<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Re)(C[6]N[6]2)(N[6]C[6]){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	116.1032	0.682	18	116.1032	0.465	18	116.0628	0.512	120	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:C[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]N[6])(C[6]C[6]H)	C[6](N[6]C[6]Ru)(C[6]N[6]2)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]N[6])(C[6]C[6]H){1|Ru<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Ru)(C[6]N[6]2)(N[6]C[6]){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	116.5460	0.948	3	116.5460	0.898	3	116.0628	0.512	120	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:C[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]N[6])(C[6]C[6]H)	C[6](N[6]C[6]Zn)(C[6]N[6]2)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]N[6])(C[6]C[6]H){1|Zn<5>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Zn)(C[6]N[6]2)(N[6]C[6]){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	114.4150	0.755	2	114.4150	0.570	2	116.0628	0.512	120	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:N-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]N[6]N)	C[6](N[6]C[6]Ni)(NC[6a]Ni)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]N[6]N){1|Ni<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(NC[6a]Ni)(N[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,2|N<3>}	117.3275	0.032	2	117.3275	0.001	2	117.3275	0.001	2	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:N[5]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]N[5]N[6])(C[6]C[6]H)	C[6](N[6]C[6]Cu)(N[5]C[5]2)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]N[5]N[6])(C[6]C[6]H){1|Cu<6>,1|H<1>,3|C<3>}	C[6](N[6]C[6]Cu)(N[5]C[5]2)(N[6]C[6]){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,2|N<3>}	116.1830	0.000	1	116.1830	0.000	1	114.9981	0.528	27	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:N[5]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]N[5]N[6])(C[6]C[6]H)	C[6](N[6]C[6]Ir)(N[5]C[5]2)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]N[5]N[6])(C[6]C[6]H){1|Ir<8>,1|H<1>,3|C<3>}	C[6](N[6]C[6]Ir)(N[5]C[5]2)(N[6]C[6]){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,2|N<3>}	114.5400	0.197	2	114.5400	0.039	2	114.9981	0.528	27	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:N[5]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]N[5]N[6])(C[6]C[6]H)	C[6](N[6]C[6]Pd)(N[5]C[5]2)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]N[5]N[6])(C[6]C[6]H){1|Pd<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6]Pd)(N[5]C[5]2)(N[6]C[6]){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,2|N<3>}	114.6091	0.323	15	114.6091	0.104	15	114.9981	0.528	27	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:N[5]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]N[5]N[6])(C[6]C[6]H)	C[6](N[6]C[6]Re)(N[5]C[5]2)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]N[5]N[6])(C[6]C[6]H){1|Re<6>,1|H<1>,3|C<3>}	C[6](N[6]C[6]Re)(N[5]C[5]2)(N[6]C[6]){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,2|N<3>}	115.7250	0.323	3	115.7250	0.104	3	114.9981	0.528	27	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:N[5]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]N[5]N[6])(C[6]C[6]H)	C[6](N[6]C[6]Rh)(N[5]C[5]2)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]N[5]N[6])(C[6]C[6]H){1|Rh<8>,1|H<1>,3|C<3>}	C[6](N[6]C[6]Rh)(N[5]C[5]2)(N[6]C[6]){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,2|N<3>}	114.9610	1.710	2	114.9610	2.923	2	114.9981	0.528	27	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:N[5]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]N[5]N[6])(C[6]C[6]H)	C[6](N[6]C[6]Ru)(N[5]C[5]2)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]N[5]N[6])(C[6]C[6]H){1|Ru<6>,1|H<1>,3|C<3>}	C[6](N[6]C[6]Ru)(N[5]C[5]2)(N[6]C[6]){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,2|N<3>}	115.8630	0.380	4	115.8630	0.145	4	114.9981	0.528	27	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]N[6]2)	C[6](N[6]C[6]2)(N[6]C[6]H)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]N[6]2){1|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6]2)(N[6]C[6]H)(N[6]C[6]){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,2|N<3>}	116.9415	0.310	2	116.9415	0.096	2	116.9415	0.096	2	116.0652	1.345	248	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:N[6]-2:	N[6]-3:N[6]-2:S-2:	N[6](C[6]C[6a]C[6])(C[6]N[6]S)	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6])	C[6](N[6]N[6]Sn)(N[6]C[6])(SSn)	N[6](C[6]C[6a]C[6])(C[6]N[6]S){1|Sn<5>,1|N<2>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]){1|N<3>,1|S<2>,2|H<1>,4|C<3>}	C[6](N[6]N[6]Sn)(N[6]C[6])(SSn){2|C<3>}	116.7910	0.000	1	116.7910	0.000	1	116.7910	0.000	1	115.0453	0.613	95	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-2:N[6]-2:	N[6](C[6]C[6]N[6])2	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(N[6]C[6])	C[6](C[6]C[6]N[6])(N[6]C[6])2	N[6](C[6]C[6]N[6])2{1|Ni<6>,2|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(N[6]C[6]){1|H<1>,1|N<2>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6])2{1|N<3>,2|H<1>,4|C<3>}	113.9525	0.252	2	113.9525	0.064	2	113.9525	0.064	2	115.0453	0.613	95	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:N[6]-2:	C[6a]-3:N[6]-2:N[6]-2:	N[6](C[6]C[6a]N[6])(C[6]C[6]N[6])	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(N[6]C[6])	C[6](C[6a]C[6a]N[6a])(N[6]C[6])2	N[6](C[6]C[6a]N[6])(C[6]C[6]N[6]){1|Cd<5>,1|N<2>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(N[6]C[6]){1|H<1>,1|N<2>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6])2{1|H<1>,1|N<3>,4|C<3>}	115.2000	0.477	2	115.2000	0.227	2	114.8904	0.408	79	115.0453	0.613	95	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:N[6]-2:	C[6a]-3:N[6]-2:N[6]-2:	N[6](C[6]C[6a]N[6])(C[6]C[6]N[6])	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(N[6]C[6])	C[6](C[6a]C[6a]N[6a])(N[6]C[6])2	N[6](C[6]C[6a]N[6])(C[6]C[6]N[6]){1|Co<6>,1|N<2>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(N[6]C[6]){1|H<1>,1|N<2>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6])2{1|H<1>,1|N<3>,4|C<3>}	114.6913	0.447	6	114.6913	0.200	6	114.8904	0.408	79	115.0453	0.613	95	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:N[6]-2:	C[6a]-3:N[6]-2:N[6]-2:	N[6](C[6]C[6a]N[6])(C[6]C[6]N[6])	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(N[6]C[6])	C[6](C[6a]C[6a]N[6a])(N[6]C[6])2	N[6](C[6]C[6a]N[6])(C[6]C[6]N[6]){1|Cu<4>,1|N<2>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(N[6]C[6]){1|H<1>,1|N<2>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6])2{1|H<1>,1|N<3>,4|C<3>}	114.8210	0.000	1	114.8210	0.000	1	114.8904	0.408	79	115.0453	0.613	95	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:N[6]-2:	C[6a]-3:N[6]-2:N[6]-2:	N[6](C[6]C[6a]N[6])(C[6]C[6]N[6])	C[6](C[6]C[6]N[6])(N[6]C[6]Eu)(N[6]C[6])	C[6](C[6a]C[6a]N[6a])(N[6]C[6])2	N[6](C[6]C[6a]N[6])(C[6]C[6]N[6]){1|Eu<13>,1|N<2>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Eu)(N[6]C[6]){1|H<1>,1|N<2>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6])2{1|H<1>,1|N<3>,4|C<3>}	114.7160	0.404	2	114.9745	0.217	4	114.8904	0.408	79	115.0453	0.613	95	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:N[6]-2:	C[6a]-3:N[6]-2:N[6]-2:	N[6](C[6]C[6a]N[6])(C[6]C[6]N[6])	C[6](C[6]C[6]N[6])(N[6]C[6]Eu)(N[6]C[6])	C[6](C[6a]C[6a]N[6a])(N[6]C[6])2	N[6](C[6]C[6a]N[6])(C[6]C[6]N[6]){1|Eu<8>,1|N<2>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Eu)(N[6]C[6]){1|H<1>,1|N<2>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6])2{1|H<1>,1|N<3>,4|C<3>}	115.2330	0.470	2	114.9745	0.217	4	114.8904	0.408	79	115.0453	0.613	95	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:N[6]-2:	C[6a]-3:N[6]-2:N[6]-2:	N[6](C[6]C[6a]N[6])(C[6]C[6]N[6])	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(N[6]C[6])	C[6](C[6a]C[6a]2)(N[6]C[6])2	N[6](C[6]C[6a]N[6])(C[6]C[6]N[6]){1|Fe<6>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(N[6]C[6]){1|H<1>,1|N<2>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6])2{1|N<3>,2|H<1>,4|C<3>}	115.2362	0.112	4	115.2362	0.013	4	114.8904	0.408	79	115.0453	0.613	95	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:N[6]-2:	C[6a]-3:N[6]-2:N[6]-2:	N[6](C[6]C[6a]N[6])(C[6]C[6]N[6])	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(N[6]C[6])	C[6](C[6a]C[6a]N[6a])(N[6]C[6])2	N[6](C[6]C[6a]N[6])(C[6]C[6]N[6]){1|Fe<6>,1|N<2>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(N[6]C[6]){1|H<1>,1|N<2>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6])2{1|H<1>,1|N<3>,4|C<3>}	114.6240	0.385	2	114.6240	0.148	2	114.8904	0.408	79	115.0453	0.613	95	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:N[6]-2:	C[6a]-3:N[6]-2:N[6]-2:	N[6](C[6]C[6a]N[6])(C[6]C[6]N[6])	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(N[6]C[6])	C[6](C[6a]C[6a]2)(N[6]C[6])2	N[6](C[6]C[6a]N[6])(C[6]C[6]N[6]){1|Ir<6>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(N[6]C[6]){1|H<1>,1|N<2>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6])2{1|N<3>,2|H<1>,4|C<3>}	115.9920	0.007	2	115.9920	0.000	2	114.8904	0.408	79	115.0453	0.613	95	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:N[6]-2:	C[6a]-3:N[6]-2:N[6]-2:	N[6](C[6]C[6a]N[6])(C[6]C[6]N[6])	C[6](C[6]C[6]N[6])(N[6]C[6]Li)(N[6]C[6])	C[6](C[6a]C[6a]N[6a])(N[6]C[6])2	N[6](C[6]C[6a]N[6])(C[6]C[6]N[6]){1|Li<5>,1|N<2>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Li)(N[6]C[6]){1|H<1>,1|N<2>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6])2{1|H<1>,1|N<3>,4|C<3>}	114.6780	0.912	2	114.6780	0.832	2	114.8904	0.408	79	115.0453	0.613	95	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:N[6]-2:	C[6a]-3:N[6]-2:N[6]-2:	N[6](C[6]C[6a]N[6])(C[6]C[6]N[6])	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(N[6]C[6])	C[6](C[6a]C[6a]N[6a])(N[6]C[6])2	N[6](C[6]C[6a]N[6])(C[6]C[6]N[6]){1|Mn<5>,1|N<2>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(N[6]C[6]){1|H<1>,1|N<2>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6])2{1|H<1>,1|N<3>,4|C<3>}	115.0113	0.811	6	114.7618	0.367	18	114.8904	0.408	79	115.0453	0.613	95	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:N[6]-2:	C[6a]-3:N[6]-2:N[6]-2:	N[6](C[6]C[6a]N[6])(C[6]C[6]N[6])	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(N[6]C[6])	C[6](C[6a]C[6a]N[6a])(N[6]C[6])2	N[6](C[6]C[6a]N[6])(C[6]C[6]N[6]){1|Mn<6>,1|N<2>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(N[6]C[6]){1|H<1>,1|N<2>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6])2{1|H<1>,1|N<3>,4|C<3>}	114.6035	0.553	8	114.7618	0.367	18	114.8904	0.408	79	115.0453	0.613	95	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:N[6]-2:	C[6a]-3:N[6]-2:N[6]-2:	N[6](C[6]C[6a]N[6])(C[6]C[6]N[6])	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(N[6]C[6])	C[6](C[6a]C[6a]N[6a])(N[6]C[6])2	N[6](C[6]C[6a]N[6])(C[6]C[6]N[6]){1|Mn<8>,1|N<2>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(N[6]C[6]){1|H<1>,1|N<2>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6])2{1|H<1>,1|N<3>,4|C<3>}	114.7040	0.268	4	114.7618	0.367	18	114.8904	0.408	79	115.0453	0.613	95	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:N[6]-2:	C[6a]-3:N[6]-2:N[6]-2:	N[6](C[6]C[6a]N[6])(C[6]C[6]N[6])	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(N[6]C[6])	C[6](C[6a]C[6a]N[6a])(N[6]C[6])2	N[6](C[6]C[6a]N[6])(C[6]C[6]N[6]){1|Ni<6>,1|N<2>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(N[6]C[6]){1|H<1>,1|N<2>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6])2{1|H<1>,1|N<3>,4|C<3>}	114.5382	0.478	22	114.5382	0.228	22	114.8904	0.408	79	115.0453	0.613	95	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:N[6]-2:	C[6a]-3:N[6]-2:N[6]-2:	N[6](C[6]C[6a]N[6])(C[6]C[6]N[6])	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(N[6]C[6])	C[6](C[6a]C[6a]N[6a])(N[6]C[6])2	N[6](C[6]C[6a]N[6])(C[6]C[6]N[6]){1|Re<6>,1|N<2>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(N[6]C[6]){1|H<1>,1|N<2>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6])2{1|H<1>,1|N<3>,4|C<3>}	116.3245	1.609	2	116.3245	2.588	2	114.8904	0.408	79	115.0453	0.613	95	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:N[6]-2:	C[6a]-3:N[6]-2:N[6]-2:	N[6](C[6]C[6a]N[6])(C[6]C[6]N[6])	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(N[6]C[6])	C[6](C[6a]C[6a]2)(N[6]C[6])2	N[6](C[6]C[6a]N[6])(C[6]C[6]N[6]){1|Ru<6>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(N[6]C[6]){1|H<1>,1|N<2>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6])2{1|N<3>,2|H<1>,4|C<3>}	115.2955	0.297	10	115.2955	0.088	10	114.8904	0.408	79	115.0453	0.613	95	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:N[6]-2:	C[6a]-3:N[6]-2:N[6]-2:	N[6](C[6]C[6a]N[6])(C[6]C[6]N[6])	C[6](C[6]C[6]N[6])(N[6]C[6]Sm)(N[6]C[6])	C[6](C[6a]C[6a]N[6a])(N[6]C[6])2	N[6](C[6]C[6a]N[6])(C[6]C[6]N[6]){1|Sm<13>,1|N<2>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Sm)(N[6]C[6]){1|H<1>,1|N<2>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6])2{1|H<1>,1|N<3>,4|C<3>}	115.6235	0.896	2	115.6235	0.803	2	114.8904	0.408	79	115.0453	0.613	95	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:N[6]-2:	C[6a]-3:N[6]-2:N[6]-2:	N[6](C[6]C[6a]N[6])(C[6]C[6]N[6])	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(N[6]C[6])	C[6](C[6a]C[6a]N[6a])(N[6]C[6])2	N[6](C[6]C[6a]N[6])(C[6]C[6]N[6]){1|Zn<6>,1|N<2>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(N[6]C[6]){1|H<1>,1|N<2>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6])2{1|H<1>,1|N<3>,4|C<3>}	114.5680	0.205	2	114.5680	0.042	2	114.8904	0.408	79	115.0453	0.613	95	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:2:	C[6]-3:C[6]-3:	C[6a]-3:N[6]-3:N[6]-2:	C[6a]-3:N[6]-2:N[6]-2:	N[6](C[6]C[6a]N[6])2	C[6](C[6a]C[6a]2)(N[6]C[6]Au)(N[6]C[6])	C[6](C[6a]C[6a]2)(N[6]C[6])2	N[6](C[6]C[6a]N[6])2{1|Au<4>,5|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Au)(N[6]C[6]){1|H<1>,1|N<2>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6])2{1|N<3>,2|H<1>,4|C<3>}	115.5385	0.206	2	115.5385	0.042	2	116.1246	0.675	9	115.0453	0.613	95	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:2:	C[6]-3:C[6]-3:	C[6a]-3:N[6]-3:N[6]-2:	C[6a]-3:N[6]-2:N[6]-2:	N[6](C[6]C[6a]N[6])2	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(N[6]C[6])	C[6](C[6a]C[6a]2)(N[6]C[6])2	N[6](C[6]C[6a]N[6])2{1|Ir<6>,5|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(N[6]C[6]){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6])2{1|N<3>,2|H<1>,4|C<3>}	117.1415	0.111	2	117.1415	0.012	2	116.1246	0.675	9	115.0453	0.613	95	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:2:	C[6]-3:C[6]-3:	C[6a]-3:N[6]-3:N[6]-2:	C[6a]-3:N[6]-2:N[6]-2:	N[6](C[6]C[6a]N[6])2	C[6](C[6a]C[6a]2)(N[6]C[6]Os)(N[6]C[6])	C[6](C[6a]C[6a]2)(N[6]C[6])2	N[6](C[6]C[6a]N[6])2{1|Os<7>,5|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Os)(N[6]C[6]){1|H<1>,1|N<2>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6])2{1|N<3>,2|H<1>,4|C<3>}	115.4730	0.284	2	115.4730	0.081	2	116.1246	0.675	9	115.0453	0.613	95	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:2:	C[6]-3:C[6]-3:	C[6a]-3:N[6]-3:N[6]-2:	C[6a]-3:N[6]-2:N[6]-2:	N[6](C[6]C[6a]N[6])2	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Cu)(N[6]C[6])	C[6](C[6a]C[6a]N[6a])(N[6]C[6])2	N[6](C[6]C[6a]N[6])2{1|Cu<4>,2|N<2>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Cu)(N[6]C[6]){1|H<1>,1|N<2>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6])2{1|H<1>,1|N<3>,4|C<3>}	115.8120	0.000	1	115.8120	0.000	1	116.1246	0.675	9	115.0453	0.613	95	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:2:	C[6]-3:C[6]-3:	C[6a]-3:N[6]-3:N[6]-2:	C[6a]-3:N[6]-2:N[6]-2:	N[6](C[6]C[6a]N[6])2	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Re)(N[6]C[6])	C[6](C[6a]C[6a]N[6a])(N[6]C[6])2	N[6](C[6]C[6a]N[6])2{1|Re<6>,2|N<2>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Re)(N[6]C[6]){1|H<1>,1|N<2>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6])2{1|H<1>,1|N<3>,4|C<3>}	116.5015	1.132	2	116.5015	1.282	2	116.1246	0.675	9	115.0453	0.613	95	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:2:	C[6]-3:C[6]-3:	N[5a]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-2:O-2:	N[6](C[6]N[5a]N[6])(C[6]C[6]O)	C[6](N[5a]C[5a]N[5a])(N[6]C[6]H)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(OH)	N[6](C[6]N[5a]N[6])(C[6]C[6]O){1|N<3>,2|C<3>,2|H<1>}	C[6](N[5a]C[5a]N[5a])(N[6]C[6]H)(N[6]C[6]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6])(OH){1|C<4>,2|N<3>}	115.5245	0.032	2	115.5245	0.001	2	115.5245	0.001	2	115.0453	0.613	95	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:2:	C[6]-3:C[6]-3:	N[6]-3:N[6]-3:N[6]-2:	N[6]-3:N[6]-2:N[6]-2:	N[6](C[6]N[6]2)2	C[6](N[6]C[6]2)(N[6]C[6]H)(N[6]C[6])	C[6](N[6]C[6]2)(N[6]C[6])2	N[6](C[6]N[6]2)2{1|C<3>,1|H<1>,4|C<4>}	C[6](N[6]C[6]2)(N[6]C[6]H)(N[6]C[6]){1|N<2>,2|C<4>,2|N<3>,4|H<1>}	C[6](N[6]C[6]2)(N[6]C[6])2{2|C<4>,3|N<3>,4|H<1>}	116.0470	0.171	2	116.0470	0.029	2	116.0470	0.029	2	115.0453	0.613	95	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:3:	C[6]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-3:N[6]-2:C-3:	N[6](C[6]C[6,6a]C[6a])(C[6]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6](N[6]C[6,6a]S)(N[6]C[6])(CCH)	N[6](C[6]C[6,6a]C[6a])(C[6]N[6]C){1|S<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){2|Cl<1>,1|H<1>,1|N<3>,5|C<3>}	C[6](N[6]C[6,6a]S)(N[6]C[6])(CCH){3|C<3>}	117.5260	0.000	1	117.5260	0.000	1	117.5260	0.000	1	117.3653	3.897	13	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:3:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-2:C-3:	N[6](C[6]C[6]N[6])(C[6]C[6]C)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(COO)	N[6](C[6]C[6]N[6])(C[6]C[6]C){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(N[6]C[6]){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)(N[6]C[6])(COO){1|C<3>,1|H<1>,1|N<3>}	116.6225	0.518	2	116.6225	0.269	2	116.6225	0.269	2	117.3653	3.897	13	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:3:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:N[6]-2:	N[6]-3:N[6]-2:N-3:	N[6](C[6]C[6]N[6])(C[6]N[6]N)	C[6](C[6]C[6]H)(N[6]C[6]2)(N[6]C[6])	C[6](N[6]C[6]O)(N[6]C[6])(NHH)	N[6](C[6]C[6]N[6])(C[6]N[6]N){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]H)(N[6]C[6]2)(N[6]C[6]){2|C<4>,3|N<3>,4|H<1>}	C[6](N[6]C[6]O)(N[6]C[6])(NHH){1|C<3>,2|N<3>}	118.6320	0.000	1	118.6320	0.000	1	118.7225	0.016	2	117.3653	3.897	13	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:3:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:N[6]-2:	N[6]-3:N[6]-2:N-3:	N[6](C[6]C[6]N[6])(C[6]N[6]N)	C[6](C[6]C[6]N)(N[6]C[6]2)(N[6]C[6])	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	N[6](C[6]C[6]N[6])(C[6]N[6]N){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[6]N)(N[6]C[6]2)(N[6]C[6]){2|C<4>,3|N<3>,4|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,2|N<3>}	118.8130	0.000	1	118.8130	0.000	1	118.7225	0.016	2	117.3653	3.897	13	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:3:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:N[6]-2:	C[6]-3:N[6]-2:C-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]C)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6])	C[6](C[6]N[6]C)(N[6]C[6])(COO)	N[6](C[6]C[6a]C[6])(C[6]C[6]C){1|N<2>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]){1|Fe<6>,1|H<1>,1|N<3>,5|C<3>}	C[6](C[6]N[6]C)(N[6]C[6])(COO){1|Fe<6>,2|C<3>}	119.3130	0.000	1	119.4920	0.064	2	119.4920	0.064	2	117.3653	3.897	13	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:3:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:N[6]-2:	C[6]-3:N[6]-2:C-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]C)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6])	C[6](C[6]N[6]C)(N[6]C[6])(COO)	N[6](C[6]C[6a]C[6])(C[6]C[6]C){1|N<2>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]){1|Mn<6>,1|H<1>,1|N<3>,5|C<3>}	C[6](C[6]N[6]C)(N[6]C[6])(COO){1|Mn<6>,2|C<3>}	119.6710	0.000	1	119.4920	0.064	2	119.4920	0.064	2	117.3653	3.897	13	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:3:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:N[6]-2:	N[6]-3:N[6]-2:C-3:	N[6](C[6]C[6a]C[6])(C[6]N[6]C)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6])	C[6](N[6]C[6]Zn)(N[6]C[6])(CCC)	N[6](C[6]C[6a]C[6])(C[6]N[6]C){1|Zn<5>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]){1|H<1>,1|N<3>,4|C<3>}	C[6](N[6]C[6]Zn)(N[6]C[6])(CCC){3|C<3>}	120.5900	0.000	1	120.5900	0.000	1	120.5900	0.000	1	117.3653	3.897	13	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:3:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:N[6]-2:	N[6]-3:N[6]-2:N-3:	N[6](C[6]C[6a]C[6])(C[6]N[6]N)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6])	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	N[6](C[6]C[6a]C[6])(C[6]N[6]N){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]){1|N<2>,2|C<3>,2|N<3>,3|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|H<1>,3|C<3>}	114.5730	0.000	1	116.1905	5.233	2	116.1905	5.233	2	117.3653	3.897	13	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:3:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:N[6]-2:	N[6]-3:N[6]-2:N-3:	N[6](C[6]C[6a]C[6])(C[6]N[6]N)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6])	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	N[6](C[6]C[6a]C[6])(C[6]N[6]N){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]){2|H<1>,2|N<3>,3|C<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){3|C<3>}	117.8080	0.000	1	116.1905	5.233	2	116.1905	5.233	2	117.3653	3.897	13	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:3:	C[6]-3:C[6]-3:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-2:C-3:	N[6](C[6]C[6a]N[6])(C[6]C[6]C)	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])	C[6](C[6]C[6]C)(N[6]C[6])(COO)	N[6](C[6]C[6a]N[6])(C[6]C[6]C){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6]){1|Cl<1>,2|H<1>,5|C<3>}	C[6](C[6]C[6]C)(N[6]C[6])(COO){1|H<1>,1|N<3>,2|C<3>}	115.1620	0.014	2	115.1927	0.003	3	115.1927	0.003	3	117.3653	3.897	13	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:3:	C[6]-3:C[6]-3:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-2:C-3:	N[6](C[6]C[6a]N[6])(C[6]C[6]C)	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])	C[6](C[6]C[6]C)(N[6]C[6])(COO)	N[6](C[6]C[6a]N[6])(C[6]C[6]C){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6]){1|O<2>,2|H<1>,5|C<3>}	C[6](C[6]C[6]C)(N[6]C[6])(COO){1|H<1>,1|N<3>,2|C<3>}	115.2540	0.000	1	115.1927	0.003	3	115.1927	0.003	3	117.3653	3.897	13	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:N[6]-2:	C[6]-3:N[6]-2:C-4:	N[6](C[6]C[6a]C[6])(C[6]C[6]C)	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6])	C[6](C[6]N[6]H)(N[6]C[6])(CH3)	N[6](C[6]C[6a]C[6])(C[6]C[6]C){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]){1|Ir<6>,1|C<4>,2|H<1>,5|C<3>}	C[6](C[6]N[6]H)(N[6]C[6])(CH3){1|Ir<6>,2|C<3>}	118.3880	0.042	2	118.3880	0.002	2	118.3880	0.002	2	116.9273	0.776	18	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-2:C-4:	N[6](C[6]C[6]N[6])(C[6]C[6]C)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	N[6](C[6]C[6]N[6])(C[6]C[6]C){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(N[6]C[6]){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<3>,1|H<1>,1|N<3>}	116.5135	1.160	2	116.5135	1.346	2	116.6372	0.622	12	116.9273	0.776	18	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-2:C-4:	N[6](C[6]C[6]N[6])(C[6]C[6]C)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(CF3)	N[6](C[6]C[6]N[6])(C[6]C[6]C){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(N[6]C[6]){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6])(CF3){1|C<3>,1|C<4>,1|N<3>}	116.0510	0.000	1	116.0510	0.000	1	116.6372	0.622	12	116.9273	0.776	18	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-2:C-4:	N[6](C[6]C[6]N[6])(C[6]C[6]C)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	N[6](C[6]C[6]N[6])(C[6]C[6]C){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(N[6]C[6]){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<3>,1|H<1>,1|N<3>}	117.5570	0.229	2	117.5570	0.052	2	116.6372	0.622	12	116.9273	0.776	18	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-2:C-4:	N[6](C[6]C[6]N[6])(C[6]C[6]C)	C[6](C[6]C[6]N[6])(N[6]N[6]Eu)(N[6]C[6])	C[6](C[6]N[6]C)(N[6]C[6])(CH3)	N[6](C[6]C[6]N[6])(C[6]C[6]C){1|Eu<13>,1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]N[6]Eu)(N[6]C[6]){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]N[6]C)(N[6]C[6])(CH3){1|C<3>,1|N<3>}	116.0840	0.143	2	116.0840	0.020	2	116.6372	0.622	12	116.9273	0.776	18	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-2:C-4:	N[6](C[6]C[6]N[6])(C[6]C[6]C)	C[6](C[6]C[6]N[6])(N[6]N[6]Pd)(N[6]C[6])	C[6](C[6]N[6]C)(N[6]C[6])(CCCH)	N[6](C[6]C[6]N[6])(C[6]C[6]C){1|Pd<4>,1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]N[6]Pd)(N[6]C[6]){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]N[6]C)(N[6]C[6])(CCCH){1|C<3>,1|N<3>}	116.7662	0.915	4	116.7662	0.837	4	116.6372	0.622	12	116.9273	0.776	18	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-2:C-4:	N[6](C[6]C[6]N[6])(C[6]C[6]C)	C[6](C[6]C[6]N[6])(N[6]N[6]Pt)(N[6]C[6])	C[6](C[6]N[6]C)(N[6]C[6])(CH3)	N[6](C[6]C[6]N[6])(C[6]C[6]C){1|Pt<4>,1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]N[6]Pt)(N[6]C[6]){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]N[6]C)(N[6]C[6])(CH3){1|C<3>,1|N<3>}	116.2210	0.000	1	116.2210	0.000	1	116.6372	0.622	12	116.9273	0.776	18	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:4:	C[6]-3:C[6]-3:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-2:C-4:	N[6](C[6]C[6a]N[6])(C[6]C[6]C)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	N[6](C[6]C[6a]N[6])(C[6]C[6]C){1|Ir<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(N[6]C[6]){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|N<3>}	117.0750	0.884	2	117.0750	0.781	2	117.0750	0.781	2	116.9273	0.776	18	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:4:	C[6]-3:C[6]-3:	N[5a]-3:C[6]-3:N[6]-2:	N[6]-3:N[6]-2:C-4:	N[6](C[6]N[5a]C[6])(C[6]N[6]C)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6])	C[6](N[6]C[6]Fe)(N[6]C[6])(CH3)	N[6](C[6]N[5a]C[6])(C[6]N[6]C){1|Fe<6>,1|H<1>,1|N<2>,2|C<3>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[6](N[6]C[6]Fe)(N[6]C[6])(CH3){1|C<3>,2|N<3>}	117.0595	0.459	2	117.0595	0.211	2	117.0595	0.211	2	116.9273	0.776	18	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:	C[5a]-3:C[6]-3:N[6]-2:	C[5a]-3:C[6]-3:N[6]-2:	N[6](C[6]C[5a]C[6])2	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6])	C[6](C[5a]C[5a]N[5a])(C[6]C[6]O)(N[6]C[6])	N[6](C[6]C[5a]C[6])2{1|H<1>,1|O<1>,2|N<3>,3|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]O)(N[6]C[6]){1|C<4>,2|H<1>,4|C<3>}	119.1060	0.000	1	119.1060	0.000	1	119.1060	0.000	1	117.1591	7.822	55	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:	C[6,6a]-3:N[6]-3:N[6]-2:	C[5a]-3:N[6]-3:N[6]-2:	N[6](C[6]C[6,6a]N[6])(C[6]C[5a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(N[6]C[6])	C[6](C[5a]C[5a]S[5a])(N[6]C[6,6a]Ir)(N[6]C[6])	N[6](C[6]C[6,6a]N[6])(C[6]C[5a]N[6]){1|Ir<6>,1|S<2>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(N[6]C[6]){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[5a]C[5a]S[5a])(N[6]C[6,6a]Ir)(N[6]C[6]){1|N<3>,4|C<3>}	116.9280	0.208	2	116.9280	0.043	2	116.9280	0.043	2	117.1591	7.822	55	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:N[6]-2:	C[6]-3:N[6]-3:N[6]-2:	N[6](C[6]C[6a]C[6])(C[6]C[6]N[6])	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6])	C[6](C[6]C[6]N[6])(N[6]N[6]Cu)(N[6]C[6])	N[6](C[6]C[6a]C[6])(C[6]C[6]N[6]){1|Cu<4>,1|N<2>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]){1|N<3>,2|H<1>,5|C<3>}	C[6](C[6]C[6]N[6])(N[6]N[6]Cu)(N[6]C[6]){1|H<1>,4|C<3>}	116.6217	0.213	3	116.5255	0.067	4	116.8744	0.290	13	117.1591	7.822	55	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:N[6]-2:	C[6]-3:N[6]-3:N[6]-2:	N[6](C[6]C[6a]C[6])(C[6]C[6]N[6])	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6])	C[6](C[6]C[6]N[6])(N[6]N[6]Cu)(N[6]C[6])	N[6](C[6]C[6a]C[6])(C[6]C[6]N[6]){1|Cu<5>,1|N<2>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]){1|N<3>,2|H<1>,5|C<3>}	C[6](C[6]C[6]N[6])(N[6]N[6]Cu)(N[6]C[6]){1|H<1>,4|C<3>}	116.2370	0.000	1	116.5255	0.067	4	116.8744	0.290	13	117.1591	7.822	55	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:N[6]-2:	C[6]-3:N[6]-3:N[6]-2:	N[6](C[6]C[6a]C[6])(C[6]C[6]N[6])	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6])	C[6](C[6]C[6]N[6])(N[6]N[6]Mn)(N[6]C[6])	N[6](C[6]C[6a]C[6])(C[6]C[6]N[6]){1|Mn<6>,1|N<2>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]){1|N<3>,2|H<1>,5|C<3>}	C[6](C[6]C[6]N[6])(N[6]N[6]Mn)(N[6]C[6]){1|H<1>,4|C<3>}	117.3705	0.271	2	117.3705	0.073	2	116.8744	0.290	13	117.1591	7.822	55	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:N[6]-2:	C[6]-3:N[6]-3:N[6]-2:	N[6](C[6]C[6a]C[6])(C[6]C[6]N[6])	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6])	C[6](C[6]C[6]N[6])(N[6]N[6]Mo)(N[6]C[6])	N[6](C[6]C[6a]C[6])(C[6]C[6]N[6]){1|Mo<9>,1|N<2>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]){1|N<3>,2|H<1>,5|C<3>}	C[6](C[6]C[6]N[6])(N[6]N[6]Mo)(N[6]C[6]){1|H<1>,4|C<3>}	116.8030	0.000	1	116.8030	0.000	1	116.8744	0.290	13	117.1591	7.822	55	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:N[6]-2:	C[6]-3:N[6]-3:N[6]-2:	N[6](C[6]C[6a]C[6])(C[6]C[6]N[6])	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6])	C[6](C[6]C[6]N[6])(N[6]N[6]Ni)(N[6]C[6])	N[6](C[6]C[6a]C[6])(C[6]C[6]N[6]){1|Ni<6>,1|N<2>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]){1|N<3>,2|H<1>,5|C<3>}	C[6](C[6]C[6]N[6])(N[6]N[6]Ni)(N[6]C[6]){1|H<1>,4|C<3>}	116.8390	0.714	4	116.8390	0.509	4	116.8744	0.290	13	117.1591	7.822	55	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:N[6]-2:	C[6]-3:N[6]-3:N[6]-2:	N[6](C[6]C[6a]C[6])(C[6]C[6]N[6])	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6])	C[6](C[6]C[6]N[6])(N[6]N[6]Pt)(N[6]C[6])	N[6](C[6]C[6a]C[6])(C[6]C[6]N[6]){1|Pt<4>,1|N<2>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]){1|N<3>,2|H<1>,5|C<3>}	C[6](C[6]C[6]N[6])(N[6]N[6]Pt)(N[6]C[6]){1|H<1>,4|C<3>}	117.6820	0.000	1	117.6820	0.000	1	116.8744	0.290	13	117.1591	7.822	55	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:N[6]-2:	C[6]-3:N[6]-3:N[6]-2:	N[6](C[6]C[6a]C[6])(C[6]C[6]N[6])	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6])	C[6](C[6]C[6]N[6])(N[6]N[6]Ru)(N[6]C[6])	N[6](C[6]C[6a]C[6])(C[6]C[6]N[6]){1|Ru<6>,1|N<2>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]){1|N<3>,2|H<1>,5|C<3>}	C[6](C[6]C[6]N[6])(N[6]N[6]Ru)(N[6]C[6]){1|H<1>,1|N<2>,3|C<3>}	116.6830	0.000	1	116.6830	0.000	1	116.8744	0.290	13	117.1591	7.822	55	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-3:N[6]-2:	N[6](C[6]C[6]N[6])2	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(N[6]C[6])	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(N[6]C[6])	N[6](C[6]C[6]N[6])2{2|Co<6>,2|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(N[6]C[6]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(N[6]C[6]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	113.4555	0.311	6	113.5962	0.136	12	113.4533	0.199	15	117.1591	7.822	55	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-3:N[6]-2:	N[6](C[6]C[6]N[6])2	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(N[6]C[6])	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(N[6]C[6])	N[6](C[6]C[6]N[6])2{2|Co<6>,2|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(N[6]C[6]){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(N[6]C[6]){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	113.7370	0.394	6	113.5962	0.136	12	113.4533	0.199	15	117.1591	7.822	55	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-3:N[6]-2:	N[6](C[6]C[6]N[6])2	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(N[6]C[6])	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(N[6]C[6])	N[6](C[6]C[6]N[6])2{2|Re<6>,1|C<4>,2|C<3>,2|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(N[6]C[6]){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(N[6]C[6]){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	112.8813	0.169	3	112.8813	0.029	3	113.4533	0.199	15	117.1591	7.822	55	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:N[6]-2:	C[6]-3:N[6]-3:N[6]-2:	N[6](C[6]C[6a]C[6])(C[6]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]N[6]H)(N[6]C[6])	C[6](C[6]C[6]N[6])(N[6]N[6]Pt)(N[6]C[6])	N[6](C[6]C[6a]C[6])(C[6]C[6]N[6]){1|Pt<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]H)(N[6]C[6]){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]N[6]Pt)(N[6]C[6]){1|H<1>,4|C<3>}	116.7230	0.000	1	116.7230	0.000	1	116.7230	0.000	1	117.1591	7.822	55	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:N[6]-2:	C[6a]-3:C[6]-3:N[6]-2:	N[6](C[6]C[6a]C[6])2	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6])	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6])	N[6](C[6]C[6a]C[6])2{1|N<3>,2|O<2>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]){1|Ir<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]){1|Ir<4>,2|H<1>,4|C<3>}	120.1430	0.000	1	120.3270	0.025	3	120.5859	0.684	16	117.1591	7.822	55	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:N[6]-2:	C[6a]-3:C[6]-3:N[6]-2:	N[6](C[6]C[6a]C[6])2	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6])	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6])	N[6](C[6]C[6a]C[6])2{1|N<3>,2|O<2>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]){1|Rh<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]){1|Rh<4>,2|H<1>,4|C<3>}	120.4190	0.000	2	120.3270	0.025	3	120.5859	0.684	16	117.1591	7.822	55	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:N[6]-2:	C[6a]-3:C[6]-3:N[6]-2:	N[6](C[6]C[6a]C[6])2	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6])	N[6](C[6]C[6a]C[6])2{1|N<3>,2|N<2>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]){1|Co<6>,1|H<1>,1|N<3>,5|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]){1|Co<6>,1|H<1>,1|N<3>,5|C<3>}	120.6055	0.204	2	120.6456	0.830	13	120.5859	0.684	16	117.1591	7.822	55	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:N[6]-2:	C[6a]-3:C[6]-3:N[6]-2:	N[6](C[6]C[6a]C[6])2	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6])	N[6](C[6]C[6a]C[6])2{1|N<3>,2|N<2>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]){1|Cr<6>,1|H<1>,1|N<3>,5|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]){1|Cr<6>,1|H<1>,1|N<3>,5|C<3>}	122.1680	1.286	2	120.6456	0.830	13	120.5859	0.684	16	117.1591	7.822	55	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:N[6]-2:	C[6a]-3:C[6]-3:N[6]-2:	N[6](C[6]C[6a]C[6])2	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6])	N[6](C[6]C[6a]C[6])2{1|N<3>,2|N<2>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]){1|Fe<6>,1|H<1>,1|N<3>,5|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]){1|Fe<6>,1|H<1>,1|N<3>,5|C<3>}	120.3700	0.079	2	120.6456	0.830	13	120.5859	0.684	16	117.1591	7.822	55	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:N[6]-2:	C[6a]-3:C[6]-3:N[6]-2:	N[6](C[6]C[6a]C[6])2	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6])	N[6](C[6]C[6a]C[6])2{1|N<3>,2|N<2>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]){1|Mn<6>,1|H<1>,1|N<3>,5|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]){1|Mn<6>,1|H<1>,1|N<3>,5|C<3>}	120.1090	1.055	3	120.6456	0.830	13	120.5859	0.684	16	117.1591	7.822	55	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:N[6]-2:	C[6a]-3:C[6]-3:N[6]-2:	N[6](C[6]C[6a]C[6])2	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6])	N[6](C[6]C[6a]C[6])2{1|N<3>,2|N<2>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]){1|Ni<6>,1|H<1>,1|N<3>,5|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]){1|Ni<6>,1|H<1>,1|N<3>,5|C<3>}	120.4650	0.461	2	120.6456	0.830	13	120.5859	0.684	16	117.1591	7.822	55	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:N[6]-2:	C[6a]-3:C[6]-3:N[6]-2:	N[6](C[6]C[6a]C[6])2	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6])	N[6](C[6]C[6a]C[6])2{1|N<3>,2|N<2>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]){1|Zn<5>,1|H<1>,1|N<3>,5|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]){1|Zn<5>,1|H<1>,1|N<3>,5|C<3>}	120.4245	0.052	2	120.6456	0.830	13	120.5859	0.684	16	117.1591	7.822	55	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:N[6]-2:	C[6a]-3:N[6]-3:N[6]-2:	N[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6])	C[6](C[6a]C[6a]2)(N[6]C[6]Os)(N[6]C[6])	N[6](C[6]C[6a]C[6])(C[6]C[6a]N[6]){1|Os<7>,1|C<4>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Os)(N[6]C[6]){1|C<4>,1|H<1>,4|C<3>}	118.9550	0.000	1	118.9550	0.000	1	118.9550	0.000	1	117.1591	7.822	55	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:	C[6a]-3:N[6]-3:N[6]-2:	C[6a]-3:N[6]-3:N[6]-2:	N[6](C[6]C[6a]N[6])2	C[6](C[6a]C[6a]2)(N[6]C[6]Os)(N[6]C[6])	C[6](C[6a]C[6a]2)(N[6]C[6]Os)(N[6]C[6])	N[6](C[6]C[6a]N[6])2{2|Os<7>,5|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Os)(N[6]C[6]){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Os)(N[6]C[6]){1|H<1>,1|N<3>,4|C<3>}	116.4420	0.000	1	116.4420	0.000	1	116.4070	0.002	2	117.1591	7.822	55	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:	C[6a]-3:N[6]-3:N[6]-2:	C[6a]-3:N[6]-3:N[6]-2:	N[6](C[6]C[6a]N[6])2	C[6](C[6a]C[6a]N[6a])(N[6]B[6]H)(N[6]C[6])	C[6](C[6a]C[6a]N[6a])(N[6]B[6]H)(N[6]C[6])	N[6](C[6]C[6a]N[6])2{1|B<4>,2|C<3>,2|H<1>,2|N<2>}	C[6](C[6a]C[6a]N[6a])(N[6]B[6]H)(N[6]C[6]){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]B[6]H)(N[6]C[6]){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	116.3720	0.000	1	116.3720	0.000	1	116.4070	0.002	2	117.1591	7.822	55	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:	N[6]-3:C[6a]-3:N[6]-2:	C[6a]-3:N[6]-3:N[6]-2:	N[6](C[6]C[6a]N[6])2	C[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(N[6]C[6])	C[6](C[6a]C[6a]2)(N[6]B[6]H)(N[6]C[6])	N[6](C[6]C[6a]N[6])2{1|B<4>,1|H<1>,5|C<3>}	C[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(N[6]C[6]){1|N<3>,2|H<1>,7|C<3>}	C[6](C[6a]C[6a]2)(N[6]B[6]H)(N[6]C[6]){1|N<3>,2|H<1>,5|C<3>}	118.0120	0.000	1	118.0120	0.000	1	118.0120	0.000	1	117.1591	7.822	55	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:	N[6]-3:C[6a]-3:N[6]-2:	N[6]-3:C[6a]-3:N[6]-2:	N[6](C[6]C[6a]N[6])2	C[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(N[6]C[6])	C[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(N[6]C[6])	N[6](C[6]C[6a]N[6])2{1|B<4>,6|C<3>}	C[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(N[6]C[6]){1|N<3>,2|H<1>,7|C<3>}	C[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(N[6]C[6]){1|N<3>,2|H<1>,7|C<3>}	117.9153	0.041	3	117.9153	0.002	3	117.9153	0.002	3	117.1591	7.822	55	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	4:2:2:	C[6]-3:C[6]-3:	C[6,6a]-3:N[5]-3:N[6]-2:	C[6]-4:N[6]-2:N-2:	N[6](C[6]C[6,6a]N[5])(C[6]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(N[5]C[5]2)(N[6]C[6])	C[6](C[6]C[6,6a]CC)(N[6]C[6])(NH)	N[6](C[6]C[6,6a]N[5])(C[6]C[6]N){2|C<3>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5]C[5]2)(N[6]C[6]){1|N<2>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6a]CC)(N[6]C[6])(NH){1|N<3>,2|C<3>}	118.2770	0.000	1	118.2770	0.000	1	118.2770	0.000	1	118.2770	0.000	1	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:3:2:	4:3:2:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:N[6]-2:	C[6]-4:C[6a]-3:N[6]-2:	N[6](C[6]C[6a]C[6])2	C[6](C[6a]C[6a]2)(C[6]N[6]H)(N[6]C[6])	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6])	N[6](C[6]C[6a]C[6])2{1|N<3>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]H)(N[6]C[6]){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]){1|S<4>,2|H<1>,6|C<3>}	118.9740	0.000	1	118.9740	0.000	1	118.9740	0.000	1	118.9740	0.000	1	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:4:2:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C-4:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]H)(CC[6a]CH)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]C)(C[6]C[6]H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(CC[6a]CH)(N[6]C[6]){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|C<4>}	117.2190	0.000	1	117.2190	0.000	1	117.2190	0.000	1	115.7175	4.509	2	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:4:2:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:S-4:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]C[6]S)	C[6](C[6]N[6]H)(SC[6a]OO)(N[6]C[6])	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]C[6]S){1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(SC[6a]OO)(N[6]C[6]){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|C<3>,1|O<1>,1|S<4>}	114.2160	0.000	1	114.2160	0.000	1	114.2160	0.000	1	115.7175	4.509	2	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	3:4:2:	3:4:2:	C[6]-3:C[6]-3:	C-3:C[6]-4:N[6]-2:	C-3:C[6]-4:N[6]-2:	N[6](C[6]C[6]C)2	C[6](CC[5a]C[6a])(C[6]O[6]HH)(N[6]C[6])	C[6](CC[5a]C[6a])(C[6]O[6]HO)(N[6]C[6])	N[6](C[6]C[6]C)2{2|O<2>,3|H<1>}	C[6](CC[5a]C[6a])(C[6]O[6]HH)(N[6]C[6]){1|C<3>,1|C<4>}	C[6](CC[5a]C[6a])(C[6]O[6]HO)(N[6]C[6]){1|C<3>,1|C<4>}	116.5270	0.205	2	116.5270	0.042	2	116.5270	0.042	2	116.5270	0.042	2	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	4:2:1:	2:2:1:	C[6]-3:C[6]-3:	C[6,6]-4:N[6]-2:O-1:	O[6]-2:N[6]-2:O-1:	N[6](C[6]C[6,6]O)(C[6]O[6]O)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6])(O)	C[6](O[6]C[6,6])(N[6]C[6])(O)	N[6](C[6]C[6,6]O)(C[6]O[6]O){3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](O[6]C[6,6])(N[6]C[6])(O){1|H<1>,1|O<1>,2|C<4>}	126.0530	0.000	1	126.0530	0.000	1	126.0530	0.000	1	126.0530	0.000	1	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	4:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6,6]-4:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6,6]H)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6]Mo)(N[6]C[6])(H)	C[6](C[6]C[6,6]H)(N[6]C[6])(H)	N[6](C[6]C[6,6]H)(C[6]C[6]H){1|Mo<9>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]Mo)(N[6]C[6])(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(N[6]C[6])(H){1|Mo<9>,1|H<1>,2|C<4>}	118.5730	0.000	1	118.5730	0.000	1	118.5730	0.000	1	120.4674	1.458	5	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	4:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-4:N[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)2	C[6](C[6]C[6]HH)(N[6]C[6])(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<4>,2|H<1>}	120.7020	0.000	1	120.7020	0.000	1	120.7020	0.000	1	120.4674	1.458	5	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	4:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-4:N[6]-2:H-1:	C[6]-3:N[6]-2:O-1:	N[6](C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]N[6]HH)(N[6]C[6])(H)	C[6](C[6]N[6]O)(N[6]C[6])(O)	N[6](C[6]C[6]H)(C[6]C[6]O){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6])(O){1|H<1>,2|C<4>}	121.6680	0.000	1	121.6680	0.000	1	121.6680	0.000	1	120.4674	1.458	5	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	4:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-4:N[6]-2:O-1:	N[6]-3:N[6]-2:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)	C[6](C[6]C[6]CC)(N[6]C[6])(O)	C[6](N[6]C[6]H)(N[6]C[6])(O)	N[6](C[6]C[6]O)(C[6]N[6]O){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6])(O){1|N<3>,2|O<1>}	C[6](N[6]C[6]H)(N[6]C[6])(O){1|C<4>,2|O<1>}	120.1300	0.000	1	120.1300	0.000	1	120.6970	0.643	2	120.4674	1.458	5	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	4:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-4:N[6]-2:O-1:	N[6]-3:N[6]-2:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)	C[6](C[6]C[6]N[6]C)(N[6]C[6])(O)	C[6](N[6]C[6]H)(N[6]C[6])(O)	N[6](C[6]C[6]O)(C[6]N[6]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6]C)(N[6]C[6])(O){1|N<3>,2|C<4>,2|O<1>}	C[6](N[6]C[6]H)(N[6]C[6])(O){1|C<4>,2|O<1>}	121.2640	0.000	1	121.2640	0.000	1	120.6970	0.643	2	120.4674	1.458	5	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	4:2:1:	3:2:2:	C[6]-3:C[6]-3:	C[6]-4:N[6]-2:O-1:	N[6]-3:N[6]-2:S-2:	N[6](C[6]C[6]O)(C[6]N[6]S)	C[6](C[6]C[6]CC)(N[6]C[6])(O)	C[6](N[6]C[6]C)(N[6]C[6])(SC)	N[6](C[6]C[6]O)(C[6]N[6]S){1|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6])(O){1|N<3>,1|O<1>,1|S<2>}	C[6](N[6]C[6]C)(N[6]C[6])(SC){1|C<4>,2|O<1>}	118.8730	0.389	2	118.8730	0.151	2	118.8730	0.151	2	118.8730	0.151	2	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	4:2:1:	4:2:1:	C[6]-3:C[6]-3:	C[5,6,6]-4:N[6]-2:O-1:	C[6]-4:N[6]-2:O-1:	N[6](C[6]C[5,6,6]O)(C[6]C[6]O)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(N[6]C[6])(O)	C[6](C[6]C[6,6]C[6a]H)(N[6]C[6])(O)	N[6](C[6]C[5,6,6]O)(C[6]C[6]O){1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(N[6]C[6])(O){1|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6](C[6]C[6,6]C[6a]H)(N[6]C[6])(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	126.6900	0.000	1	126.6900	0.000	1	126.6900	0.000	1	126.6900	0.000	1	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	4:2:2:	3:2:3:	C[6]-3:C[6]-3:	C[5,6]-4:N[6]-2:N-2:	C[6,6a]-3:N[6]-2:N-3:	N[6](C[6]C[6,6a]N)(C[6]C[5,6]N)	C[6](C[5,6]C[6,6a]C[5]2)(N[6]C[6])(NC[6a])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NHH)	N[6](C[6]C[6,6a]N)(C[6]C[5,6]N){2|C<3>,2|C<4>}	C[6](C[5,6]C[6,6a]C[5]2)(N[6]C[6])(NC[6a]){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NHH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	117.9600	0.000	1	117.9600	0.000	1	117.9600	0.000	1	117.9600	0.000	1	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	4:2:2:	3:2:4:	C[6]-3:C[6]-3:	C[5,6]-4:N[6]-2:O-2:	C[6]-3:N[6]-2:C-4:	N[6](C[6]C[5,6]O)(C[6]C[6]C)	C[6](C[5,6]N[5,6]C[5]C)(N[6]C[6])(OC)	C[6](C[6]N[5,6]O)(N[6]C[6])(CCCH)	N[6](C[6]C[5,6]O)(C[6]C[6]C){1|N<3>,1|O<2>,2|C<4>}	C[6](C[5,6]N[5,6]C[5]C)(N[6]C[6])(OC){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]N[5,6]O)(N[6]C[6])(CCCH){1|C<3>,1|C<4>,1|O<2>}	118.2665	0.142	2	118.2665	0.020	2	118.2665	0.020	2	118.2665	0.020	2	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	4:2:3:	3:2:2:	C[6]-3:C[6]-3:	C[5,6]-4:N[6]-2:N-3:	C[6,6a]-3:N[6]-2:N-2:	N[6](C[6]C[6,6a]N)(C[6]C[5,6]N)	C[6](C[5,6]C[6,6a]C[5]2)(N[6]C[6])(NHH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NN)	N[6](C[6]C[6,6a]N)(C[6]C[5,6]N){2|C<3>,2|C<4>}	C[6](C[5,6]C[6,6a]C[5]2)(N[6]C[6])(NHH){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NN){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	120.5080	0.000	1	120.5080	0.000	1	120.5080	0.000	1	120.5080	0.000	1	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	4:2:3:	3:2:3:	C[6]-3:C[6]-3:	C[6]-4:N[6]-2:N-3:	C[6]-3:N[6]-2:N-3:	N[6](C[6]C[6]N)2	C[6](C[6]C[6]HH)(N[6]C[6])(NC[6a]C)	C[6](C[6]C[6]H)(N[6]C[6])(NC[6a]C)	N[6](C[6]C[6]N)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6])(NC[6a]C){1|C<4>,1|H<1>,1|N<3>}	119.3360	0.000	1	119.3360	0.000	1	119.3360	0.000	1	119.3360	0.000	1	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	4:2:3:	4:2:1:	C[6]-3:C[6]-3:	C[6,6]-4:N[6]-2:N-3:	C[3x6]-4:N[6]-2:O-1:	N[6](C[6]C[3x6]O)(C[6]C[6,6]N)	C[6](C[6,6]C[3x6]C[6,6]C)(N[6]C[6])(NHH)	C[6](C[3x6]C[3x6]C[6,6]C)(N[6]C[6])(O)	N[6](C[6]C[3x6]O)(C[6]C[6,6]N){1|C<3>,2|C<2>,2|C<4>}	C[6](C[6,6]C[3x6]C[6,6]C)(N[6]C[6])(NHH){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[3x6]C[3x6]C[6,6]C)(N[6]C[6])(O){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	120.4200	0.000	1	120.4200	0.000	1	120.4200	0.000	1	120.4200	0.000	1	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	4:2:3:	4:2:3:	C[6]-3:C[6]-3:	C[6,6]-4:N[6]-2:C-3:	C[6,6]-4:N[6]-2:C-3:	N[6](C[6]C[6,6]C)2	C[6](C[6,6]C[6,6]2H)(N[6]C[6])(CCN)	C[6](C[6,6]C[6,6]2H)(N[6]C[6])(CCN)	N[6](C[6]C[6,6]C)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2H)(N[6]C[6])(CCN){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2H)(N[6]C[6])(CCN){2|C<3>,2|H<1>,3|C<4>}	120.1860	0.000	1	120.1860	0.000	1	120.1860	0.000	1	120.1860	0.000	1	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	4:2:4:	3:2:1:	C[6]-3:C[6]-3:	C[6]-4:N[6]-2:C-4:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]HH)(N[6]C[6])(CHHN)	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6])(CHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,2|C<4>}	116.2210	0.000	1	116.2210	0.000	1	116.2210	0.000	1	116.2210	0.000	1	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	4:3:2:	3:2:1:	C[6]-3:C[6]-3:	C[3,6]-4:C[6a]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[3,6]C[6a])(C[6]C[6]H)	C[6](C[3,6]C[3,6]C[3]C)(C[6a]C[6a]2)(N[6]C[6])	C[6](C[6]C[3,6]H)(N[6]C[6])(H)	N[6](C[6]C[3,6]C[6a])(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[3,6]C[3,6]C[3]C)(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[3,6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,2|C<4>}	120.2910	0.000	1	120.2910	0.000	1	120.2910	0.000	1	120.2910	0.000	1	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	4:3:2:	3:2:3:	C[6]-3:C[6]-3:	C[3x6]-4:C[6]-3:N[6]-2:	N[6]-3:N[6]-2:C-3:	N[6](C[6]C[3x6]C[6])(C[6]N[6]C)	C[6](C[3x6]C[6,6]3)(C[6]C[6]H)(N[6]C[6])	C[6](N[6]C[6]Fe)(N[6]C[6])(CCN)	N[6](C[6]C[3x6]C[6])(C[6]N[6]C){1|Fe<8>,1|C<3>,1|H<1>,3|C<4>}	C[6](C[3x6]C[6,6]3)(C[6]C[6]H)(N[6]C[6]){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	C[6](N[6]C[6]Fe)(N[6]C[6])(CCN){1|C<4>,2|C<3>}	118.4480	0.000	1	118.4480	0.000	1	118.4480	0.000	1	118.4480	0.000	1	116.8760	5.099	1997	116.9235	5.151	2046
914	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:	4:3:2:	3:2:4:	C[6]-3:C[6]-3:	C[5]-4:N[6]-3:N[6]-2:	C[6]-3:N[6]-2:C-4:	N[6](C[6]C[5]N[6])(C[6]C[6]C)	C[6](C[5]C[5]2Fe)(N[6]C[6]Pd)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	N[6](C[6]C[5]N[6])(C[6]C[6]C){1|Fe<10>,1|Pd<4>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[5]C[5]2Fe)(N[6]C[6]Pd)(N[6]C[6]){1|C<3>,1|H<1>,4|C<4>}	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|N<3>,2|C<4>}	116.4188	0.537	5	116.4188	0.288	5	116.4188	0.288	5	116.4188	0.288	5	116.8760	5.099	1997	116.9235	5.151	2046
914	762	811	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6,6,6a]	4:3:	4:2:3:	3:3:2:3:	B[6,6,6a]-4:C[6,6]-3:	B[6,6,6a]-4:N[6,6]-2:C[6a]-3:	C[5a,6,6a]-3:N[5a,6,6a]-3:N[6,6]-2:C[6a]-3:	N[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]C[6a])	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(N[6,6]B[6,6,6a])(C[6a]C[6a]2)	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(N[6,6]C[6,6])(C[6a]C[6a]2)	N[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]C[6a]){2|N<3>,7|C<3>}	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(N[6,6]B[6,6,6a])(C[6a]C[6a]2){2|H<1>,2|N<3>,7|C<3>}	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(N[6,6]C[6,6])(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,3|H<1>,6|C<3>}	115.0730	0.000	1	115.0730	0.000	1	115.0730	0.000	1	115.0730	0.000	1	115.0730	0.000	1	115.0730	0.000	1
914	762	813	6:SP2_SP2_SP2	N[6]	C[6]	N[5a,6]	3:3:	2:2:1:	3:3:2:	N[5a,6]-3:C[6]-3:	N[6]-2:N[6]-2:H-1:	C[5a,6]-3:C[5a]-3:N[6]-2:	N[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]H)	C[6](N[6]N[5a,6])(N[6]N[6])(H)	N[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]N)(N[6]C[6])	N[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]H){1|N<3>,3|N<2>}	C[6](N[6]N[5a,6])(N[6]N[6])(H){2|C<3>}	N[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]N)(N[6]C[6]){1|N<2>,2|H<1>}	110.9280	0.000	1	110.9280	0.000	1	110.9280	0.000	1	110.9280	0.000	1	115.2282	2.795	40	115.2282	2.795	40
914	762	813	6:SP2_SP2_SP2	N[6]	C[6]	N[5a,6]	3:3:	2:2:2:	3:3:2:	N[5a,6]-3:C[6]-3:	N[6]-2:N[6]-2:N-2:	C[5a,6]-3:C[5a]-3:N[6]-2:	N[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]N)	C[6](N[6]N[5a,6])(N[6]N[6])(NN)	N[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]N)(N[6]C[6])	N[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]N){1|N<3>,3|N<2>}	C[6](N[6]N[5a,6])(N[6]N[6])(NN){2|C<3>}	N[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]N)(N[6]C[6]){1|H<1>,2|N<2>}	110.3310	0.000	1	110.3310	0.000	1	110.3310	0.000	1	110.3310	0.000	1	115.2282	2.795	40	115.2282	2.795	40
914	762	813	6:SP2_SP2_SP2	N[6]	C[6]	N[5a,6]	3:3:	2:3:3:	3:3:2:	N[5a,6]-3:C[6]-3:	N[6]-2:N[6]-3:N-3:	C[5a,6]-3:C[5a]-3:N[6]-2:	N[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]N)	C[6](N[6]N[5a,6])(N[6]N[6]O)(NHH)	N[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]N)(N[6]C[6])	N[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]N){1|N<3>,1|O<1>,3|N<2>}	C[6](N[6]N[5a,6])(N[6]N[6]O)(NHH){2|C<3>}	N[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]N)(N[6]C[6]){2|N<3>}	112.7200	0.000	1	112.7200	0.000	1	112.7200	0.000	1	112.7200	0.000	1	115.2282	2.795	40	115.2282	2.795	40
914	762	813	6:SP2_SP2_SP2	N[6]	C[6]	N[5a,6]	3:3:	2:3:4:	3:3:2:	N[5a,6]-3:C[6]-3:	N[6]-2:C[6]-3:C-4:	C[5a,6]-3:C[5a]-3:N[6]-2:	N[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]C)	C[6](N[6]N[5a,6])(C[6]S[6]N)(CH3)	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]C[6a]N[5a])(N[6]C[6])	N[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]C){1|C<3>,1|S<2>,3|N<2>}	C[6](N[6]N[5a,6])(C[6]S[6]N)(CH3){2|C<3>}	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]C[6a]N[5a])(N[6]C[6]){1|C<4>,3|C<3>}	117.1660	0.174	2	117.1660	0.030	2	117.1660	0.030	2	117.1660	0.030	2	115.2282	2.795	40	115.2282	2.795	40
914	762	813	6:SP2_SP2_SP2	N[6]	C[6]	N[5a,6]	3:3:	2:4:2:	3:3:2:	N[5a,6]-3:C[6]-3:	N[6]-2:C[6]-4:O-2:	C[5a,6]-3:C[5a]-3:N[6]-2:	N[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]O)	C[6](N[6]N[5a,6])(C[6]C[6]HH)(OC)	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(N[6]C[6])	N[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]O){2|C<4>,2|H<1>,2|N<2>}	C[6](N[6]N[5a,6])(C[6]C[6]HH)(OC){1|H<1>,3|C<3>}	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(N[6]C[6]){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	110.4470	0.000	1	110.4470	0.000	1	110.4470	0.000	1	110.4470	0.000	1	115.2282	2.795	40	115.2282	2.795	40
914	762	813	6:SP2_SP2_SP2	N[6]	C[6]	N[5a,6]	3:3:	3:2:3:	3:3:2:	N[5a,6]-3:C[6]-3:	C[5a]-3:N[6]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:N[6]-2:	N[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a]C[6])	C[6](C[5a]C[5a]S[5a])(N[6]N[5a,6])(C[6]S[6]C)	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]N[5a]C)(N[6]C[6])	N[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a]C[6]){1|C<4>,2|C<3>,2|N<2>,2|S<2>}	C[6](C[5a]C[5a]S[5a])(N[6]N[5a,6])(C[6]S[6]C){1|H<1>,4|C<3>}	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]N[5a]C)(N[6]C[6]){2|C<3>}	115.8200	0.000	1	115.8200	0.000	1	115.8200	0.000	1	116.7450	1.711	2	115.2282	2.795	40	115.2282	2.795	40
914	762	813	6:SP2_SP2_SP2	N[6]	C[6]	N[5a,6]	3:3:	3:2:3:	3:3:2:	N[5a,6]-3:C[6]-3:	C[6a]-3:N[6]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:N[6]-2:	N[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6])	C[6](C[6a]C[6a]2)(N[6]N[5a,6])(C[6]S[6]C)	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]C[6a]N[5a])(N[6]C[6])	N[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6]){1|S<2>,2|N<2>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]N[5a,6])(C[6]S[6]C){2|H<1>,4|C<3>}	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]C[6a]N[5a])(N[6]C[6]){4|C<3>}	117.6700	0.000	1	117.6700	0.000	1	117.6700	0.000	1	116.7450	1.711	2	115.2282	2.795	40	115.2282	2.795	40
914	762	813	6:SP2_SP2_SP2	N[6]	C[6]	N[5a,6]	3:3:	3:2:4:	3:3:2:	N[5a,6]-3:C[6]-3:	C[5a]-3:N[6]-2:C[6]-4:	C[5a,6]-3:C[5a]-3:N[6]-2:	N[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a]C[6])	C[6](C[5a]C[5a]N[5a])(N[6]N[5a,6])(C[6]S[6]HH)	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]N[5a]C)(N[6]C[6])	N[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a]C[6]){1|C<3>,1|C<4>,1|N<3>,1|S<2>,2|H<1>,2|N<2>}	C[6](C[5a]C[5a]N[5a])(N[6]N[5a,6])(C[6]S[6]HH){1|N<2>,1|O<1>,1|O<2>,3|C<3>}	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]N[5a]C)(N[6]C[6]){1|C<3>,1|C<4>}	114.4565	0.854	4	114.4565	0.729	4	114.4565	0.729	4	115.6364	0.516	30	115.2282	2.795	40	115.2282	2.795	40
914	762	813	6:SP2_SP2_SP2	N[6]	C[6]	N[5a,6]	3:3:	3:2:4:	3:3:2:	N[5a,6]-3:C[6]-3:	C[6a]-3:N[6]-2:C[6]-4:	C[5a,6]-3:C[5a]-3:N[6]-2:	N[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6])	C[6](C[6a]C[6a]2)(N[6]N[5a,6])(C[6]S[6]HH)	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]C[5a]N[5a])(N[6]C[6])	N[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6]){1|S<2>,2|H<1>,2|N<2>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]N[5a,6])(C[6]S[6]HH){2|H<1>,4|C<3>}	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]C[5a]N[5a])(N[6]C[6]){1|C<3>,1|C<4>,1|N<2>,1|S<2>}	115.6760	0.000	1	115.6230	0.020	3	115.8179	0.254	26	115.6364	0.516	30	115.2282	2.795	40	115.2282	2.795	40
914	762	813	6:SP2_SP2_SP2	N[6]	C[6]	N[5a,6]	3:3:	3:2:4:	3:3:2:	N[5a,6]-3:C[6]-3:	C[6a]-3:N[6]-2:C[6]-4:	C[5a,6]-3:C[5a]-3:N[6]-2:	N[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6])	C[6](C[6a]C[6a]2)(N[6]N[5a,6])(C[6]S[6]HH)	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]C[5a]N[5a])(N[6]C[6])	N[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6]){1|S<2>,2|H<1>,2|N<2>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]N[5a,6])(C[6]S[6]HH){2|H<1>,4|C<3>}	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]C[5a]N[5a])(N[6]C[6]){1|C<4>,1|O<2>,2|C<3>}	115.5965	0.189	2	115.6230	0.020	3	115.8179	0.254	26	115.6364	0.516	30	115.2282	2.795	40	115.2282	2.795	40
914	762	813	6:SP2_SP2_SP2	N[6]	C[6]	N[5a,6]	3:3:	3:2:4:	3:3:2:	N[5a,6]-3:C[6]-3:	C[6a]-3:N[6]-2:C[6]-4:	C[5a,6]-3:C[5a]-3:N[6]-2:	N[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6])	C[6](C[6a]C[6a]2)(N[6]N[5a,6])(C[6]S[6]HH)	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]C[6a]N[5a])(N[6]C[6])	N[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6]){1|S<2>,2|H<1>,2|N<2>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]N[5a,6])(C[6]S[6]HH){1|F<1>,1|H<1>,4|C<3>}	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]C[6a]N[5a])(N[6]C[6]){1|C<4>,3|C<3>}	115.8423	0.558	4	116.0376	0.213	9	115.8179	0.254	26	115.6364	0.516	30	115.2282	2.795	40	115.2282	2.795	40
914	762	813	6:SP2_SP2_SP2	N[6]	C[6]	N[5a,6]	3:3:	3:2:4:	3:3:2:	N[5a,6]-3:C[6]-3:	C[6a]-3:N[6]-2:C[6]-4:	C[5a,6]-3:C[5a]-3:N[6]-2:	N[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6])	C[6](C[6a]C[6a]2)(N[6]N[5a,6])(C[6]S[6]HH)	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]C[6a]N[5a])(N[6]C[6])	N[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6]){1|S<2>,2|H<1>,2|N<2>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]N[5a,6])(C[6]S[6]HH){2|H<1>,4|C<3>}	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]C[6a]N[5a])(N[6]C[6]){1|C<4>,3|C<3>}	116.1938	0.353	5	116.0376	0.213	9	115.8179	0.254	26	115.6364	0.516	30	115.2282	2.795	40	115.2282	2.795	40
914	762	813	6:SP2_SP2_SP2	N[6]	C[6]	N[5a,6]	3:3:	3:2:4:	3:3:2:	N[5a,6]-3:C[6]-3:	C[6a]-3:N[6]-2:C[6]-4:	C[5a,6]-3:C[5a]-3:N[6]-2:	N[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6])	C[6](C[6a]C[6a]2)(N[6]N[5a,6])(C[6]S[6]HH)	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]N[5a]C)(N[6]C[6])	N[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6]){1|C<4>,1|S<2>,2|C<3>,2|H<1>,2|N<2>}	C[6](C[6a]C[6a]2)(N[6]N[5a,6])(C[6]S[6]HH){1|Cl<1>,1|H<1>,4|C<3>}	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]N[5a]C)(N[6]C[6]){1|C<3>,1|C<4>}	115.2240	0.064	2	115.7184	0.301	14	115.8179	0.254	26	115.6364	0.516	30	115.2282	2.795	40	115.2282	2.795	40
914	762	813	6:SP2_SP2_SP2	N[6]	C[6]	N[5a,6]	3:3:	3:2:4:	3:3:2:	N[5a,6]-3:C[6]-3:	C[6a]-3:N[6]-2:C[6]-4:	C[5a,6]-3:C[5a]-3:N[6]-2:	N[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6])	C[6](C[6a]C[6a]2)(N[6]N[5a,6])(C[6]S[6]HH)	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]N[5a]C)(N[6]C[6])	N[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6]){1|C<4>,1|S<2>,2|C<3>,2|H<1>,2|N<2>}	C[6](C[6a]C[6a]2)(N[6]N[5a,6])(C[6]S[6]HH){1|F<1>,1|H<1>,4|C<3>}	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]N[5a]C)(N[6]C[6]){1|C<3>,1|C<4>}	115.4955	0.221	2	115.7184	0.301	14	115.8179	0.254	26	115.6364	0.516	30	115.2282	2.795	40	115.2282	2.795	40
914	762	813	6:SP2_SP2_SP2	N[6]	C[6]	N[5a,6]	3:3:	3:2:4:	3:3:2:	N[5a,6]-3:C[6]-3:	C[6a]-3:N[6]-2:C[6]-4:	C[5a,6]-3:C[5a]-3:N[6]-2:	N[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6])	C[6](C[6a]C[6a]2)(N[6]N[5a,6])(C[6]S[6]HH)	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]N[5a]C)(N[6]C[6])	N[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6]){1|C<4>,1|S<2>,2|C<3>,2|H<1>,2|N<2>}	C[6](C[6a]C[6a]2)(N[6]N[5a,6])(C[6]S[6]HH){2|H<1>,4|C<3>}	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]N[5a]C)(N[6]C[6]){1|C<3>,1|C<4>}	115.8619	0.583	10	115.7184	0.301	14	115.8179	0.254	26	115.6364	0.516	30	115.2282	2.795	40	115.2282	2.795	40
914	762	813	6:SP2_SP2_SP2	N[6]	C[6]	N[5a,6]	3:3:	4:2:1:	3:3:2:	N[5a,6]-3:C[6]-3:	C[3,6]-4:N[6]-2:Cl-1:	C[5a,6]-3:C[5a]-3:N[6]-2:	N[6](N[5a,6]C[5a,6]C[5a])(C[6]C[3,6]Cl)	C[6](C[3,6]C[3,6]C[3]H)(N[6]N[5a,6])(Cl)	N[5a,6](C[5a,6]C[3,6]N[5a])(C[5a]C[5a]Br)(N[6]C[6])	N[6](N[5a,6]C[5a,6]C[5a])(C[6]C[3,6]Cl){1|Br<1>,1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(N[6]N[5a,6])(Cl){2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[3,6]N[5a])(C[5a]C[5a]Br)(N[6]C[6]){1|Cl<1>,2|C<4>,2|H<1>}	113.8940	0.165	2	113.8940	0.027	2	113.8940	0.027	2	113.8940	0.027	2	115.2282	2.795	40	115.2282	2.795	40
914	762	818	6:SP2_SP2_SP2	N[6]	C[6,6]	C[5,6]	3:3:	3:2:3:	3:3:2:	C[5,6]-3:C[6,6]-3:	N[6,6]-3:N[6]-2:C[6]-3:	C[5,6a]-3:N[5,6]-3:N[6]-2:	N[6](C[5,6]C[5,6a]N[5,6])(C[6,6]N[6,6]C[6])	C[6,6](N[6,6]B[6]C[6])(N[6]C[5,6])(C[6]C[6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(N[6]C[6,6])	N[6](C[5,6]C[5,6a]N[5,6])(C[6,6]N[6,6]C[6]){1|B<4>,1|H<1>,5|C<3>}	C[6,6](N[6,6]B[6]C[6])(N[6]C[5,6])(C[6]C[6]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(N[6]C[6,6]){1|H<1>,1|N<3>,1|O<1>,2|F<1>,3|C<3>}	118.2210	0.161	5	118.2698	0.035	6	118.4249	0.108	9	118.4249	0.108	9	117.7258	2.508	11	114.9027	7.113	138
914	762	818	6:SP2_SP2_SP2	N[6]	C[6,6]	C[5,6]	3:3:	3:2:3:	3:3:2:	C[5,6]-3:C[6,6]-3:	N[6,6]-3:N[6]-2:C[6]-3:	C[5,6a]-3:N[5,6]-3:N[6]-2:	N[6](C[5,6]C[5,6a]N[5,6])(C[6,6]N[6,6]C[6])	C[6,6](N[6,6]B[6]C[6])(N[6]C[5,6])(C[6]C[6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(N[6]C[6,6])	N[6](C[5,6]C[5,6a]N[5,6])(C[6,6]N[6,6]C[6]){1|B<4>,1|H<1>,5|C<3>}	C[6,6](N[6,6]B[6]C[6])(N[6]C[5,6])(C[6]C[6]H){1|N<3>,2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(N[6]C[6,6]){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	118.5140	0.000	1	118.2698	0.035	6	118.4249	0.108	9	118.4249	0.108	9	117.7258	2.508	11	114.9027	7.113	138
914	762	818	6:SP2_SP2_SP2	N[6]	C[6,6]	C[5,6]	3:3:	3:2:3:	3:3:2:	C[5,6]-3:C[6,6]-3:	N[6,6]-3:N[6]-2:C[6]-3:	C[5,6a]-3:N[5,6]-3:N[6]-2:	N[6](C[5,6]C[5,6a]N[5,6])(C[6,6]N[6,6]C[6])	C[6,6](N[6,6]C[6,6a]B[6])(N[6]C[5,6])(C[6]C[6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(N[6]C[6,6])	N[6](C[5,6]C[5,6a]N[5,6])(C[6,6]N[6,6]C[6]){1|B<4>,1|H<1>,5|C<3>}	C[6,6](N[6,6]C[6,6a]B[6])(N[6]C[5,6])(C[6]C[6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(N[6]C[6,6]){1|H<1>,1|N<3>,1|O<1>,2|F<1>,3|C<3>}	118.7350	0.356	3	118.7350	0.126	3	118.4249	0.108	9	118.4249	0.108	9	117.7258	2.508	11	114.9027	7.113	138
914	762	818	6:SP2_SP2_SP2	N[6]	C[6,6]	C[5,6]	3:3:	3:3:2:	3:2:2:	C[6,6]-3:C[5,6]-3:	C[6,6a]-3:C[6,6]-3:N[6]-2:	N[5,6]-3:S[5]-2:N[6]-2:	N[6](C[6,6]C[6,6a]C[6,6])(C[5,6]N[5,6]S[5])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(N[6]C[5,6])	C[5,6](N[5,6]C[5,6a]C[6])(S[5]C[5,6a])(N[6]C[6,6])	N[6](C[6,6]C[6,6a]C[6,6])(C[5,6]N[5,6]S[5]){2|C<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(N[6]C[5,6]){1|C<4>,1|N<3>,1|S<2>,2|C<3>,5|H<1>}	C[5,6](N[5,6]C[5,6a]C[6])(S[5]C[5,6a])(N[6]C[6,6]){2|H<1>,4|C<3>}	114.5800	0.167	2	114.5800	0.028	2	114.5800	0.028	2	114.5800	0.028	2	117.7258	2.508	11	114.9027	7.113	138
914	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6,6]	3:3:	2:3:3:	4:4:2:	C[5,6,6]-3:C[6]-3:	N[6]-2:C[6]-3:C-3:	C[5,5,6]-4:C[5,6,6]-4:N[6]-2:	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]C)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCH)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6])	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]C){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCH){2|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6]){2|C<3>,3|C<4>,3|H<1>}	114.6050	0.000	1	114.6050	0.000	1	114.6050	0.000	1	114.6050	0.000	1	114.6050	0.000	1	114.9027	7.113	138
914	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:	2:2:1:	3:2:2:	C[5,6]-3:C[6]-3:	N[6]-2:C[6]-2:C-1:	N[5,6]-3:N[5]-2:N[6]-2:	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]C)	C[6](N[6]C[5,6])(C[6]C[6])(C)	C[5,6](N[5,6]C[6]N[5])(N[5]C[5])(N[6]C[6])	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]C){1|C<2>,1|C<3>,1|N<2>}	C[6](N[6]C[5,6])(C[6]C[6])(C){1|C<1>,1|N<2>,1|N<3>}	C[5,6](N[5,6]C[6]N[5])(N[5]C[5])(N[6]C[6]){1|C<2>,2|C<1>}	115.6450	0.000	1	117.3990	6.153	2	117.3990	6.153	2	119.2670	13.545	3	114.6587	6.833	126	114.9027	7.113	138
914	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:	2:2:1:	3:2:2:	C[5,6]-3:C[6]-3:	N[6]-2:C[6]-2:C-1:	N[5,6]-3:N[5]-2:N[6]-2:	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]C)	C[6](N[6]C[5,6])(C[6]C[6])(C)	C[5,6](N[5,6]C[6]N[5])(N[5]C[5])(N[6]C[6])	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]C){1|C<2>,1|C<3>,1|N<2>}	C[6](N[6]C[5,6])(C[6]C[6])(C){1|N<2>,1|N<3>,1|O<1>}	C[5,6](N[5,6]C[6]N[5])(N[5]C[5])(N[6]C[6]){1|C<1>,1|C<2>,1|O<1>}	119.1530	0.000	1	117.3990	6.153	2	117.3990	6.153	2	119.2670	13.545	3	114.6587	6.833	126	114.9027	7.113	138
914	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:	2:2:1:	3:2:2:	C[5,6]-3:C[6]-3:	N[6]-2:S[6]-2:S-1:	N[5,6]-3:N[5]-2:N[6]-2:	N[6](C[5,6]N[5,6]N[5])(C[6]S[6]S)	C[6](N[6]C[5,6])(S[6]C[6])(S)	C[5,6](N[5,6]C[5]C[6])(N[5]C[5])(N[6]C[6])	N[6](C[5,6]N[5,6]N[5])(C[6]S[6]S){1|C<3>,2|C<4>}	C[6](N[6]C[5,6])(S[6]C[6])(S){1|N<2>,1|N<3>,1|S<1>}	C[5,6](N[5,6]C[5]C[6])(N[5]C[5])(N[6]C[6]){1|S<2>,2|S<1>,4|H<1>}	123.0030	0.000	1	123.0030	0.000	1	123.0030	0.000	1	119.2670	13.545	3	114.6587	6.833	126	114.9027	7.113	138
914	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:	2:2:1:	3:3:2:	C[5,6]-3:C[6]-3:	N[6]-2:C[6]-2:O-1:	N[5,6]-3:N[5]-3:N[6]-2:	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]O)	C[6](N[6]C[5,6])(C[6]C[6])(O)	C[5,6](N[5,6]C[6]N[5])(N[5]C[5]Co)(N[6]C[6])	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]O){1|Co<6>,1|N<2>,2|C<2>}	C[6](N[6]C[5,6])(C[6]C[6])(O){2|N<3>}	C[5,6](N[5,6]C[6]N[5])(N[5]C[5]Co)(N[6]C[6]){1|C<2>,1|O<1>}	117.8320	0.129	2	117.8320	0.017	2	117.8320	0.017	2	119.6200	4.268	4	114.6587	6.833	126	114.9027	7.113	138
914	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:	2:2:1:	3:3:2:	C[5,6]-3:C[6]-3:	N[6]-2:S[6]-2:S-1:	N[5,6]-3:N[5]-3:N[6]-2:	N[6](C[5,6]N[5,6]N[5])(C[6]S[6]S)	C[6](N[6]C[5,6])(S[6]C[6])(S)	C[5,6](N[5,6]C[5]C[6])(N[5]C[5]H)(N[6]C[6])	N[6](C[5,6]N[5,6]N[5])(C[6]S[6]S){1|C<3>,1|H<1>,2|C<4>}	C[6](N[6]C[5,6])(S[6]C[6])(S){1|S<1>,2|N<3>}	C[5,6](N[5,6]C[5]C[6])(N[5]C[5]H)(N[6]C[6]){1|S<2>,2|S<1>,4|H<1>}	121.4080	0.000	2	121.4080	0.000	2	121.4080	0.000	2	119.6200	4.268	4	114.6587	6.833	126	114.9027	7.113	138
914	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:	2:2:2:	3:3:2:	C[5,6]-3:C[6]-3:	N[6]-2:N[6]-2:N-2:	C[5,6]-3:N[5]-3:N[6]-2:	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]N)	C[6](N[6]C[5,6])(N[6]C[6])(NH)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6])	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]N){1|C<4>,1|N<3>,2|C<3>}	C[6](N[6]C[5,6])(N[6]C[6])(NH){1|C<3>,1|N<3>,1|O<1>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6]){1|Ru<9>,1|H<1>,1|O<1>,2|N<2>}	112.5055	0.418	2	112.5055	0.175	2	112.5055	0.175	2	112.5055	0.175	2	114.6587	6.833	126	114.9027	7.113	138
914	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:	2:2:3:	3:2:2:	C[5,6]-3:C[6]-3:	N[6]-2:N[6]-2:N-3:	C[5,6]-3:N[5]-2:N[6]-2:	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]N)	C[6](N[6]C[5,6])(N[6]C[6])(NCH)	C[5,6](C[5,6]C[6]N[5])(N[5]Se[5])(N[6]C[6])	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]N){1|Se<2>,1|C<3>,1|N<2>}	C[6](N[6]C[5,6])(N[6]C[6])(NCH){1|C<3>,1|N<2>,1|O<1>}	C[5,6](C[5,6]C[6]N[5])(N[5]Se[5])(N[6]C[6]){1|N<2>,1|N<3>,1|O<1>}	115.9380	0.000	1	115.9380	0.000	1	115.9380	0.000	1	115.9380	0.000	1	114.6587	6.833	126	114.9027	7.113	138
914	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:	2:2:3:	3:3:2:	C[5,6]-3:C[6]-3:	N[6]-2:N[6]-2:N-3:	C[5,6]-3:N[5]-3:N[6]-2:	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]N)	C[6](N[6]C[5,6])(N[6]C[6])(NHH)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]2)(N[6]C[6])	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]N){1|C<4>,1|N<3>,2|C<3>}	C[6](N[6]C[5,6])(N[6]C[6])(NHH){1|C<3>,1|N<3>,1|O<1>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]2)(N[6]C[6]){1|Pt<4>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	112.9510	0.000	2	112.9510	0.000	2	112.0840	2.255	3	113.8185	13.537	4	114.6587	6.833	126	114.9027	7.113	138
914	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:	2:2:3:	3:3:2:	C[5,6]-3:C[6]-3:	N[6]-2:N[6]-2:N-3:	C[5,6]-3:N[5]-3:N[6]-2:	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]N)	C[6](N[6]C[5,6])(N[6]C[6])(NHH)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6])	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]N){1|C<4>,1|N<3>,2|C<3>}	C[6](N[6]C[5,6])(N[6]C[6])(NHH){1|C<3>,1|N<3>,1|O<1>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6]){1|Pt<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	110.3500	0.000	1	110.3500	0.000	1	112.0840	2.255	3	113.8185	13.537	4	114.6587	6.833	126	114.9027	7.113	138
914	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:	2:2:3:	3:3:2:	C[5,6]-3:C[6]-3:	N[6]-2:S[6]-2:N-3:	N[5,6]-3:N[5]-3:N[6]-2:	N[6](C[5,6]N[5,6]N[5])(C[6]S[6]N)	C[6](N[6]C[5,6])(S[6]C[6])(NC[6]H)	C[5,6](N[5,6]C[5,6a]C[6])(N[5]C[5,6a]C)(N[6]C[6])	N[6](C[5,6]N[5,6]N[5])(C[6]S[6]N){2|C<3>,2|C<4>}	C[6](N[6]C[5,6])(S[6]C[6])(NC[6]H){2|H<1>,2|N<3>}	C[5,6](N[5,6]C[5,6a]C[6])(N[5]C[5,6a]C)(N[6]C[6]){1|N<3>,1|S<2>,2|C<3>,2|H<1>}	119.0220	0.000	1	119.0220	0.000	1	119.0220	0.000	1	113.8185	13.537	4	114.6587	6.833	126	114.9027	7.113	138
914	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:	2:3:1:	3:2:2:	C[5,6]-3:C[6]-3:	N[6]-2:C[6]-3:H-1:	C[5,6]-3:N[6]-2:S[5]-2:	N[6](C[5,6]C[5,6]S[5])(C[6]C[6]H)	C[6](N[6]C[5,6])(C[6]N[6]H)(H)	C[5,6](C[5,6]N[6]S[5])(N[6]C[6])(S[5]C[5])	N[6](C[5,6]C[5,6]S[5])(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[6](N[6]C[5,6])(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|S<2>}	C[5,6](C[5,6]N[6]S[5])(N[6]C[6])(S[5]C[5]){1|Cu<4>,1|H<1>,2|C<3>}	112.4000	0.000	1	112.4000	0.000	1	112.4000	0.000	1	114.9355	12.858	2	114.6587	6.833	126	114.9027	7.113	138
914	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:	2:3:1:	3:2:2:	C[5,6]-3:C[6]-3:	N[6]-2:C[6]-3:H-1:	N[5,6]-3:N[6]-2:S[5]-2:	N[6](C[5,6]N[5,6]S[5])(C[6]C[6]H)	C[6](N[6]C[5,6])(C[6]S[6]C)(H)	C[5,6](N[5,6]C[5]S[6])(N[6]C[6])(S[5]C[5])	N[6](C[5,6]N[5,6]S[5])(C[6]C[6]H){1|S<4>,3|C<4>}	C[6](N[6]C[5,6])(C[6]S[6]C)(H){1|N<3>,1|S<2>,2|O<1>}	C[5,6](N[5,6]C[5]S[6])(N[6]C[6])(S[5]C[5]){1|C<3>,2|O<1>,5|H<1>}	117.4710	0.000	1	117.4710	0.000	1	117.4710	0.000	1	114.9355	12.858	2	114.6587	6.833	126	114.9027	7.113	138
914	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:	2:3:1:	3:3:2:	C[5,6]-3:C[6]-3:	N[6]-2:C[6]-3:H-1:	N[5,6]-3:C[5]-3:N[6]-2:	N[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)	C[6](N[6]C[5,6])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]H)(N[6]C[6])	N[6](C[5,6]N[5,6]C[5])(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[5,6])(C[6]C[6]H)(H){1|N<3>,2|C<3>}	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]H)(N[6]C[6]){1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	116.0310	0.000	1	116.0310	0.000	1	116.0310	0.000	1	112.9861	3.495	31	114.6587	6.833	126	114.9027	7.113	138
914	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:	2:3:1:	3:3:2:	C[5,6]-3:C[6]-3:	N[6]-2:C[6]-3:H-1:	N[5,6]-3:N[5]-3:N[6]-2:	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)	C[6](N[6]C[5,6])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(N[5]C[5]H)(N[6]C[6])	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[5,6])(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[5,6](N[5,6]C[5]C[6])(N[5]C[5]H)(N[6]C[6]){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	116.0330	0.000	1	116.0330	0.000	1	114.9284	0.287	12	112.9861	3.495	31	114.6587	6.833	126	114.9027	7.113	138
914	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:	2:3:1:	3:3:2:	C[5,6]-3:C[6]-3:	N[6]-2:C[6]-3:H-1:	N[5,6]-3:N[5]-3:N[6]-2:	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)	C[6](N[6]C[5,6])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[6]N[5])(N[5]C[5]Cd)(N[6]C[6])	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]H){1|Cd<6>,1|H<1>,1|N<2>,2|C<3>}	C[6](N[6]C[5,6])(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[5,6](N[5,6]C[6]N[5])(N[5]C[5]Cd)(N[6]C[6]){1|C<3>,3|H<1>}	115.1370	0.000	1	115.1370	0.000	1	114.9284	0.287	12	112.9861	3.495	31	114.6587	6.833	126	114.9027	7.113	138
914	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:	2:3:1:	3:3:2:	C[5,6]-3:C[6]-3:	N[6]-2:C[6]-3:H-1:	N[5,6]-3:N[5]-3:N[6]-2:	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)	C[6](N[6]C[5,6])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[6]N[5])(N[5]C[5]Co)(N[6]C[6])	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]H){1|Co<6>,1|H<1>,1|N<2>,2|C<3>}	C[6](N[6]C[5,6])(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[5,6](N[5,6]C[6]N[5])(N[5]C[5]Co)(N[6]C[6]){1|C<3>,3|H<1>}	115.3080	0.000	1	115.3080	0.000	1	114.9284	0.287	12	112.9861	3.495	31	114.6587	6.833	126	114.9027	7.113	138
914	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:	2:3:1:	3:3:2:	C[5,6]-3:C[6]-3:	N[6]-2:C[6]-3:H-1:	N[5,6]-3:N[5]-3:N[6]-2:	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)	C[6](N[6]C[5,6])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[6]N[5])(N[5]C[5]Cu)(N[6]C[6])	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]H){1|Cu<5>,1|H<1>,1|N<2>,2|C<3>}	C[6](N[6]C[5,6])(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[5,6](N[5,6]C[6]N[5])(N[5]C[5]Cu)(N[6]C[6]){1|C<3>,3|H<1>}	114.9580	0.581	2	114.9580	0.338	2	114.9284	0.287	12	112.9861	3.495	31	114.6587	6.833	126	114.9027	7.113	138
914	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:	2:3:1:	3:3:2:	C[5,6]-3:C[6]-3:	N[6]-2:C[6]-3:H-1:	N[5,6]-3:N[5]-3:N[6]-2:	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)	C[6](N[6]C[5,6])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[6]N[5])(N[5]C[5]Mn)(N[6]C[6])	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]H){1|Mn<6>,1|H<1>,1|N<2>,2|C<3>}	C[6](N[6]C[5,6])(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[5,6](N[5,6]C[6]N[5])(N[5]C[5]Mn)(N[6]C[6]){1|C<3>,3|H<1>}	115.0280	0.000	1	115.0280	0.000	1	114.9284	0.287	12	112.9861	3.495	31	114.6587	6.833	126	114.9027	7.113	138
914	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:	2:3:1:	3:3:2:	C[5,6]-3:C[6]-3:	N[6]-2:C[6]-3:H-1:	N[5,6]-3:N[5]-3:N[6]-2:	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)	C[6](N[6]C[5,6])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[6]N[5])(N[5]C[5]Zn)(N[6]C[6])	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]H){1|Zn<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](N[6]C[5,6])(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[5,6](N[5,6]C[6]N[5])(N[5]C[5]Zn)(N[6]C[6]){1|C<3>,3|H<1>}	114.7933	0.329	4	114.6198	0.165	6	114.9284	0.287	12	112.9861	3.495	31	114.6587	6.833	126	114.9027	7.113	138
914	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:	2:3:1:	3:3:2:	C[5,6]-3:C[6]-3:	N[6]-2:C[6]-3:H-1:	N[5,6]-3:N[5]-3:N[6]-2:	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)	C[6](N[6]C[5,6])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[6]N[5])(N[5]C[5]Zn)(N[6]C[6])	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]H){1|Zn<6>,1|H<1>,1|N<2>,2|C<3>}	C[6](N[6]C[5,6])(C[6]C[6]H)(H){3|N<3>}	C[5,6](N[5,6]C[6]N[5])(N[5]C[5]Zn)(N[6]C[6]){1|C<3>,1|N<3>,2|H<1>}	114.2730	0.372	2	114.6198	0.165	6	114.9284	0.287	12	112.9861	3.495	31	114.6587	6.833	126	114.9027	7.113	138
914	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:	2:3:1:	3:3:2:	C[5,6]-3:C[6]-3:	N[6]-2:N[6]-3:H-1:	C[5,6]-3:N[5]-3:N[6]-2:	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]H)	C[6](N[6]C[5,6])(N[6]C[6]H)(H)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6])	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[5,6])(N[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6]){1|Cd<4>,1|N<2>,1|N<3>,2|H<1>}	111.5365	0.909	4	111.2909	0.371	14	111.5221	0.505	18	112.9861	3.495	31	114.6587	6.833	126	114.9027	7.113	138
914	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:	2:3:1:	3:3:2:	C[5,6]-3:C[6]-3:	N[6]-2:N[6]-3:H-1:	C[5,6]-3:N[5]-3:N[6]-2:	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]H)	C[6](N[6]C[5,6])(N[6]C[6]H)(H)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6])	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[5,6])(N[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6]){1|Cd<6>,1|N<2>,1|N<3>,2|H<1>}	111.0178	0.357	4	111.2909	0.371	14	111.5221	0.505	18	112.9861	3.495	31	114.6587	6.833	126	114.9027	7.113	138
914	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:	2:3:1:	3:3:2:	C[5,6]-3:C[6]-3:	N[6]-2:N[6]-3:H-1:	C[5,6]-3:N[5]-3:N[6]-2:	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]H)	C[6](N[6]C[5,6])(N[6]C[6]H)(H)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6])	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[5,6])(N[6]C[6]H)(H){1|C<3>,1|N<3>,1|O<2>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6]){1|Pt<4>,1|N<3>,1|O<2>,2|H<1>}	111.0498	0.364	4	111.2909	0.371	14	111.5221	0.505	18	112.9861	3.495	31	114.6587	6.833	126	114.9027	7.113	138
914	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:	2:3:1:	3:3:2:	C[5,6]-3:C[6]-3:	N[6]-2:N[6]-3:H-1:	C[5,6]-3:N[5]-3:N[6]-2:	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]H)	C[6](N[6]C[5,6])(N[6]C[6]H)(H)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6])	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[5,6])(N[6]C[6]H)(H){1|C<3>,2|N<3>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6]){1|Cu<4>,2|H<1>,2|N<3>}	111.8280	0.461	2	111.2909	0.371	14	111.5221	0.505	18	112.9861	3.495	31	114.6587	6.833	126	114.9027	7.113	138
914	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:	2:3:1:	3:3:2:	C[5,6]-3:C[6]-3:	N[6]-2:N[6]-3:H-1:	C[5,6]-3:N[5]-3:N[6]-2:	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]H)	C[6](N[6]C[5,6])(N[6]C[6]H)(H)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]Co)(N[6]C[6])	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[5,6])(N[6]C[6]H)(H){1|C<3>,2|N<3>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]Co)(N[6]C[6]){2|N<3>,3|H<1>}	112.8700	0.000	1	112.8700	0.000	1	111.5221	0.505	18	112.9861	3.495	31	114.6587	6.833	126	114.9027	7.113	138
914	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:	2:3:1:	3:3:2:	C[5,6]-3:C[6]-3:	N[6]-2:N[6]-3:H-1:	C[5,6]-3:N[5]-3:N[6]-2:	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]H)	C[6](N[6]C[5,6])(N[6]C[6]H)(H)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]H)(N[6]C[6])	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]H){1|C<2>,1|C<3>,1|N<3>,2|H<1>}	C[6](N[6]C[5,6])(N[6]C[6]H)(H){1|C<3>,1|N<3>,1|S<2>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]H)(N[6]C[6]){1|Ru<9>,1|H<1>,1|N<3>,1|S<2>}	112.2000	0.000	1	112.1320	0.009	2	111.5221	0.505	18	112.9861	3.495	31	114.6587	6.833	126	114.9027	7.113	138
914	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:	2:3:1:	3:3:2:	C[5,6]-3:C[6]-3:	N[6]-2:N[6]-3:H-1:	C[5,6]-3:N[5]-3:N[6]-2:	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]H)	C[6](N[6]C[5,6])(N[6]C[6]H)(H)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]H)(N[6]C[6])	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[5,6])(N[6]C[6]H)(H){1|C<3>,1|N<3>,1|S<2>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]H)(N[6]C[6]){1|Fe<6>,1|N<3>,1|S<2>,2|H<1>}	112.0640	0.000	1	112.1320	0.009	2	111.5221	0.505	18	112.9861	3.495	31	114.6587	6.833	126	114.9027	7.113	138
914	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:	2:3:1:	3:3:2:	C[5,6]-3:C[6]-3:	N[6]-2:N[6]-3:H-1:	C[5,6]-3:N[5]-3:N[6]-2:	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]H)	C[6](N[6]C[5,6])(N[6]C[6]H)(H)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]Pt)(N[6]C[6])	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[5,6])(N[6]C[6]H)(H){1|C<3>,2|N<3>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]Pt)(N[6]C[6]){2|N<3>,3|H<1>}	112.1910	0.000	1	112.1910	0.000	1	111.5221	0.505	18	112.9861	3.495	31	114.6587	6.833	126	114.9027	7.113	138
914	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:	2:3:3:	3:3:2:	C[5,6]-3:C[6]-3:	N[6]-2:C[6]-3:C-3:	N[5,6]-3:N[5]-3:N[6]-2:	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]C)	C[6](N[6]C[5,6])(C[6]C[6]H)(COO)	C[5,6](N[5,6]C[5,6a]C[6])(N[5]C[5,6a]H)(N[6]C[6])	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]C){1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[5,6])(C[6]C[6]H)(COO){1|C<3>,1|H<1>,2|N<3>}	C[5,6](N[5,6]C[5,6a]C[6])(N[5]C[5,6a]H)(N[6]C[6]){1|H<1>,5|C<3>}	117.1710	0.000	1	117.1710	0.000	1	117.1710	0.000	1	113.3270	5.793	8	114.6587	6.833	126	114.9027	7.113	138
914	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:	2:3:3:	3:3:2:	C[5,6]-3:C[6]-3:	N[6]-2:N[6]-3:N-3:	C[5,6]-3:N[5]-3:N[6]-2:	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]N)	C[6](N[6]C[5,6])(N[6]C[6]H)(NHH)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]2)(N[6]C[6])	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]N){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[5,6])(N[6]C[6]H)(NHH){1|C<3>,1|N<3>,1|S<2>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]2)(N[6]C[6]){1|Co<6>,1|C<4>,1|O<2>,1|S<2>,2|H<1>,2|N<3>}	112.7560	2.174	6	112.7560	4.728	6	112.7779	3.943	7	113.3270	5.793	8	114.6587	6.833	126	114.9027	7.113	138
914	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:	2:3:3:	3:3:2:	C[5,6]-3:C[6]-3:	N[6]-2:N[6]-3:N-3:	C[5,6]-3:N[5]-3:N[6]-2:	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]N)	C[6](N[6]C[5,6])(N[6]C[6]H)(NHH)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6])	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]N){1|C<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[5,6])(N[6]C[6]H)(NHH){1|C<3>,1|N<3>,1|O<2>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6]){1|Cu<5>,1|H<1>,1|O<2>,2|N<3>}	112.9090	0.000	1	112.9090	0.000	1	112.7779	3.943	7	113.3270	5.793	8	114.6587	6.833	126	114.9027	7.113	138
914	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:	2:3:4:	3:2:2:	C[5,6]-3:C[6]-3:	N[6]-2:C[6]-3:C-4:	N[5,6]-3:N[6]-2:S[5]-2:	N[6](C[5,6]N[5,6]S[5])(C[6]C[6]C)	C[6](N[6]C[5,6])(C[6]C[6]C)(CH3)	C[5,6](N[5,6]C[5]C[6])(N[6]C[6])(S[5]C[5])	N[6](C[5,6]N[5,6]S[5])(C[6]C[6]C){1|C<4>,3|C<3>}	C[6](N[6]C[5,6])(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5,6](N[5,6]C[5]C[6])(N[6]C[6])(S[5]C[5]){1|C<2>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	115.7620	0.000	1	115.9510	0.057	3	115.9510	0.057	3	116.3070	0.108	12	114.6587	6.833	126	114.9027	7.113	138
914	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:	2:3:4:	3:2:2:	C[5,6]-3:C[6]-3:	N[6]-2:C[6]-3:C-4:	N[5,6]-3:N[6]-2:S[5]-2:	N[6](C[5,6]N[5,6]S[5])(C[6]C[6]C)	C[6](N[6]C[5,6])(C[6]C[6]C)(CH3)	C[5,6](N[5,6]C[5]C[6])(N[6]C[6])(S[5]C[5])	N[6](C[5,6]N[5,6]S[5])(C[6]C[6]C){1|C<4>,3|C<3>}	C[6](N[6]C[5,6])(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5,6](N[5,6]C[5]C[6])(N[6]C[6])(S[5]C[5]){1|H<1>,2|C<4>,3|C<3>}	116.2200	0.000	1	115.9510	0.057	3	115.9510	0.057	3	116.3070	0.108	12	114.6587	6.833	126	114.9027	7.113	138
914	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:	2:3:4:	3:2:2:	C[5,6]-3:C[6]-3:	N[6]-2:C[6]-3:C-4:	N[5,6]-3:N[6]-2:S[5]-2:	N[6](C[5,6]N[5,6]S[5])(C[6]C[6]C)	C[6](N[6]C[5,6])(C[6]C[6]C)(CH3)	C[5,6](N[5,6]C[5]C[6])(N[6]C[6])(S[5]C[5])	N[6](C[5,6]N[5,6]S[5])(C[6]C[6]C){1|C<4>,3|C<3>}	C[6](N[6]C[5,6])(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5,6](N[5,6]C[5]C[6])(N[6]C[6])(S[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	115.8710	0.000	1	115.9510	0.057	3	115.9510	0.057	3	116.3070	0.108	12	114.6587	6.833	126	114.9027	7.113	138
914	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:	2:3:4:	3:2:2:	C[5,6]-3:C[6]-3:	N[6]-2:C[6]-3:C-4:	N[5,6]-3:S[5]-2:N[6]-2:	N[6](C[5,6]N[5,6]S[5])(C[6]C[6]C)	C[6](N[6]C[5,6])(C[6]C[6]C)(CCHH)	C[5,6](N[5,6]C[5]C[6])(S[5]C[5,5])(N[6]C[6])	N[6](C[5,6]N[5,6]S[5])(C[6]C[6]C){1|C<3>,3|C<4>}	C[6](N[6]C[5,6])(C[6]C[6]C)(CCHH){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5,6](N[5,6]C[5]C[6])(S[5]C[5,5])(N[6]C[6]){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	116.4828	0.091	6	116.4828	0.008	6	116.4257	0.071	9	116.3070	0.108	12	114.6587	6.833	126	114.9027	7.113	138
914	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:	2:3:4:	3:2:2:	C[5,6]-3:C[6]-3:	N[6]-2:C[6]-3:C-4:	N[5,6]-3:S[5]-2:N[6]-2:	N[6](C[5,6]N[5,6]S[5])(C[6]C[6]C)	C[6](N[6]C[5,6])(C[6]C[6]C)(CH3)	C[5,6](N[5,6]C[5,6]C[6])(S[5]C[5,6])(N[6]C[6])	N[6](C[5,6]N[5,6]S[5])(C[6]C[6]C){1|C<4>,3|C<3>}	C[6](N[6]C[5,6])(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5,6](N[5,6]C[5,6]C[6])(S[5]C[5,6])(N[6]C[6]){1|C<4>,1|H<1>,4|C<3>}	116.1880	0.000	1	116.1880	0.000	1	116.4257	0.071	9	116.3070	0.108	12	114.6587	6.833	126	114.9027	7.113	138
914	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:	2:3:4:	3:2:2:	C[5,6]-3:C[6]-3:	N[6]-2:C[6]-3:C-4:	N[5,6]-3:S[5]-2:N[6]-2:	N[6](C[5,6]N[5,6]S[5])(C[6]C[6]C)	C[6](N[6]C[5,6])(C[6]C[6]C)(CH3)	C[5,6](N[5,6]C[5,6a]C[6])(S[5]C[5,6a])(N[6]C[6])	N[6](C[5,6]N[5,6]S[5])(C[6]C[6]C){1|C<4>,3|C<3>}	C[6](N[6]C[5,6])(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5,6](N[5,6]C[5,6a]C[6])(S[5]C[5,6a])(N[6]C[6]){1|C<4>,1|H<1>,4|C<3>}	115.9000	0.000	1	115.9000	0.000	1	116.4257	0.071	9	116.3070	0.108	12	114.6587	6.833	126	114.9027	7.113	138
914	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:	2:3:4:	3:2:2:	C[5,6]-3:C[6]-3:	N[6]-2:C[6]-3:C-4:	N[5,6]-3:S[5]-2:N[6]-2:	N[6](C[5,6]N[5,6]S[5])(C[6]C[6]C)	C[6](N[6]C[5,6])(C[6]C[6]C)(CH3)	C[5,6](N[5,6]C[5]C[6])(S[5]C[5,5])(N[6]C[6])	N[6](C[5,6]N[5,6]S[5])(C[6]C[6]C){2|C<3>,2|C<4>}	C[6](N[6]C[5,6])(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5,6](N[5,6]C[5]C[6])(S[5]C[5,5])(N[6]C[6]){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	116.8460	0.000	1	116.8460	0.000	1	116.4257	0.071	9	116.3070	0.108	12	114.6587	6.833	126	114.9027	7.113	138
914	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:	2:3:4:	3:3:2:	C[5,6]-3:C[6]-3:	N[6]-2:C[6]-3:C-4:	N[5,6]-3:N[5]-3:N[6]-2:	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]C)	C[6](N[6]C[5,6])(C[6]C[6]C)(CH3)	C[5,6](N[5,6]C[6]N[5])(N[5]C[5]Ru)(N[6]C[6])	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]C){1|Ru<9>,1|C<4>,1|N<2>,2|C<3>}	C[6](N[6]C[5,6])(C[6]C[6]C)(CH3){1|C<4>,2|N<3>}	C[5,6](N[5,6]C[6]N[5])(N[5]C[5]Ru)(N[6]C[6]){1|C<3>,1|H<1>,2|C<4>}	115.7390	0.000	1	115.7390	0.000	1	115.5754	0.190	18	115.5754	0.190	18	114.6587	6.833	126	114.9027	7.113	138
914	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:	2:3:4:	3:3:2:	C[5,6]-3:C[6]-3:	N[6]-2:C[6]-3:C-4:	N[5,6]-3:N[5]-3:N[6]-2:	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]C)	C[6](N[6]C[5,6])(C[6]C[6]H)(CCHH)	C[5,6](N[5,6]C[6]N[5])(N[5]C[5]Ru)(N[6]C[6])	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]C){1|Ru<9>,1|H<1>,1|N<2>,2|C<3>}	C[6](N[6]C[5,6])(C[6]C[6]H)(CCHH){1|C<4>,2|N<3>}	C[5,6](N[5,6]C[6]N[5])(N[5]C[5]Ru)(N[6]C[6]){1|C<3>,1|H<1>,2|C<4>}	116.2240	0.000	1	116.2240	0.000	1	115.5754	0.190	18	115.5754	0.190	18	114.6587	6.833	126	114.9027	7.113	138
914	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:	2:3:4:	3:3:2:	C[5,6]-3:C[6]-3:	N[6]-2:C[6]-3:C-4:	N[5,6]-3:N[5]-3:N[6]-2:	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]C)	C[6](N[6]C[5,6])(C[6]C[6]H)(CH3)	C[5,6](N[5,6]C[6]N[5])(N[5]C[5]Co)(N[6]C[6])	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]C){1|Co<6>,1|H<1>,1|N<2>,2|C<3>}	C[6](N[6]C[5,6])(C[6]C[6]H)(CH3){1|C<4>,2|N<3>}	C[5,6](N[5,6]C[6]N[5])(N[5]C[5]Co)(N[6]C[6]){1|C<3>,1|H<1>,2|C<4>}	115.7250	0.000	1	115.7250	0.000	1	115.5754	0.190	18	115.5754	0.190	18	114.6587	6.833	126	114.9027	7.113	138
914	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:	2:3:4:	3:3:2:	C[5,6]-3:C[6]-3:	N[6]-2:C[6]-3:C-4:	N[5,6]-3:N[5]-3:N[6]-2:	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]C)	C[6](N[6]C[5,6])(C[6]C[6]H)(CH3)	C[5,6](N[5,6]C[6]N[5])(N[5]C[5]Cu)(N[6]C[6])	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]C){1|Cu<5>,1|H<1>,1|N<2>,2|C<3>}	C[6](N[6]C[5,6])(C[6]C[6]H)(CH3){1|C<4>,2|N<3>}	C[5,6](N[5,6]C[6]N[5])(N[5]C[5]Cu)(N[6]C[6]){1|C<3>,1|H<1>,2|C<4>}	115.6270	0.114	5	115.6270	0.013	5	115.5754	0.190	18	115.5754	0.190	18	114.6587	6.833	126	114.9027	7.113	138
914	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:	2:3:4:	3:3:2:	C[5,6]-3:C[6]-3:	N[6]-2:C[6]-3:C-4:	N[5,6]-3:N[5]-3:N[6]-2:	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]C)	C[6](N[6]C[5,6])(C[6]C[6]H)(CH3)	C[5,6](N[5,6]C[6]N[5])(N[5]C[5]Fe)(N[6]C[6])	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]C){1|Fe<6>,1|H<1>,1|N<2>,2|C<3>}	C[6](N[6]C[5,6])(C[6]C[6]H)(CH3){1|C<4>,2|N<3>}	C[5,6](N[5,6]C[6]N[5])(N[5]C[5]Fe)(N[6]C[6]){1|C<3>,1|H<1>,2|C<4>}	115.7140	0.000	1	115.7140	0.000	1	115.5754	0.190	18	115.5754	0.190	18	114.6587	6.833	126	114.9027	7.113	138
914	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:	2:3:4:	3:3:2:	C[5,6]-3:C[6]-3:	N[6]-2:C[6]-3:C-4:	N[5,6]-3:N[5]-3:N[6]-2:	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]C)	C[6](N[6]C[5,6])(C[6]C[6]H)(CH3)	C[5,6](N[5,6]C[6]N[5])(N[5]C[5]Mn)(N[6]C[6])	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]C){1|Mn<6>,1|H<1>,1|N<2>,2|C<3>}	C[6](N[6]C[5,6])(C[6]C[6]H)(CH3){1|C<4>,2|N<3>}	C[5,6](N[5,6]C[6]N[5])(N[5]C[5]Mn)(N[6]C[6]){1|C<3>,1|H<1>,2|C<4>}	115.6820	0.000	1	115.6820	0.000	1	115.5754	0.190	18	115.5754	0.190	18	114.6587	6.833	126	114.9027	7.113	138
914	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:	2:3:4:	3:3:2:	C[5,6]-3:C[6]-3:	N[6]-2:C[6]-3:C-4:	N[5,6]-3:N[5]-3:N[6]-2:	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]C)	C[6](N[6]C[5,6])(C[6]C[6]H)(CH3)	C[5,6](N[5,6]C[6]N[5])(N[5]C[5]Ni)(N[6]C[6])	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]C){1|Ni<6>,1|H<1>,1|N<2>,2|C<3>}	C[6](N[6]C[5,6])(C[6]C[6]H)(CH3){1|C<4>,2|N<3>}	C[5,6](N[5,6]C[6]N[5])(N[5]C[5]Ni)(N[6]C[6]){1|C<3>,1|H<1>,2|C<4>}	115.7780	0.000	1	115.7780	0.000	1	115.5754	0.190	18	115.5754	0.190	18	114.6587	6.833	126	114.9027	7.113	138
914	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:	2:3:4:	3:3:2:	C[5,6]-3:C[6]-3:	N[6]-2:C[6]-3:C-4:	N[5,6]-3:N[5]-3:N[6]-2:	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]C)	C[6](N[6]C[5,6])(C[6]C[6]H)(CH3)	C[5,6](N[5,6]C[6]N[5])(N[5]C[5]Pt)(N[6]C[6])	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]C){1|Pt<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](N[6]C[5,6])(C[6]C[6]H)(CH3){1|C<4>,2|N<3>}	C[5,6](N[5,6]C[6]N[5])(N[5]C[5]Pt)(N[6]C[6]){1|C<3>,1|H<1>,2|C<4>}	115.2590	0.813	4	115.2590	0.662	4	115.5754	0.190	18	115.5754	0.190	18	114.6587	6.833	126	114.9027	7.113	138
914	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:	2:3:4:	3:3:2:	C[5,6]-3:C[6]-3:	N[6]-2:C[6]-3:C-4:	N[5,6]-3:N[5]-3:N[6]-2:	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]C)	C[6](N[6]C[5,6])(C[6]C[6]H)(CH3)	C[5,6](N[5,6]C[6]N[5])(N[5]C[5]Zn)(N[6]C[6])	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]C){1|Zn<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](N[6]C[5,6])(C[6]C[6]H)(CH3){1|C<4>,2|N<3>}	C[5,6](N[5,6]C[6]N[5])(N[5]C[5]Zn)(N[6]C[6]){1|C<3>,1|H<1>,2|C<4>}	115.2775	0.151	2	115.4417	0.092	3	115.5754	0.190	18	115.5754	0.190	18	114.6587	6.833	126	114.9027	7.113	138
914	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:	2:3:4:	3:3:2:	C[5,6]-3:C[6]-3:	N[6]-2:C[6]-3:C-4:	N[5,6]-3:N[5]-3:N[6]-2:	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]C)	C[6](N[6]C[5,6])(C[6]C[6]H)(CH3)	C[5,6](N[5,6]C[6]N[5])(N[5]C[5]Zn)(N[6]C[6])	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]C){1|Zn<6>,1|H<1>,1|N<2>,2|C<3>}	C[6](N[6]C[5,6])(C[6]C[6]H)(CH3){1|C<4>,2|N<3>}	C[5,6](N[5,6]C[6]N[5])(N[5]C[5]Zn)(N[6]C[6]){1|C<3>,1|H<1>,2|C<4>}	115.7700	0.000	1	115.4417	0.092	3	115.5754	0.190	18	115.5754	0.190	18	114.6587	6.833	126	114.9027	7.113	138
914	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:	3:2:1:	3:3:2:	C[5,6]-3:C[6]-3:	N[6]-3:N[6]-2:H-1:	C[5,6]-3:N[5]-3:N[6]-2:	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]H)	C[6](N[6]C[6]Co)(N[6]C[5,6])(H)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]Co)(N[6]C[6])	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]H){2|Co<6>,1|N<3>,2|C<3>}	C[6](N[6]C[6]Co)(N[6]C[5,6])(H){1|C<3>,2|N<3>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]Co)(N[6]C[6]){1|Co<6>,2|H<1>,2|N<3>}	110.2120	0.116	2	110.2120	0.013	2	110.6392	0.980	10	110.6392	0.980	10	114.6587	6.833	126	114.9027	7.113	138
914	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:	3:2:1:	3:3:2:	C[5,6]-3:C[6]-3:	N[6]-3:N[6]-2:H-1:	C[5,6]-3:N[5]-3:N[6]-2:	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]H)	C[6](N[6]C[6]Pd)(N[6]C[5,6])(H)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6])	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]H){1|Pd<4>,1|C<4>,1|N<3>,2|C<3>}	C[6](N[6]C[6]Pd)(N[6]C[5,6])(H){1|N<3>,2|C<3>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6]){1|Pd<4>,1|C<3>,1|N<3>,2|H<1>}	112.2650	0.000	1	112.2650	0.000	1	110.6392	0.980	10	110.6392	0.980	10	114.6587	6.833	126	114.9027	7.113	138
914	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:	3:2:1:	3:3:2:	C[5,6]-3:C[6]-3:	N[6]-3:N[6]-2:H-1:	C[5,6]-3:N[5]-3:N[6]-2:	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]H)	C[6](N[6]C[6]Pt)(N[6]C[5,6])(H)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6])	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]H){1|Pt<4>,1|C<4>,1|N<3>,2|C<3>}	C[6](N[6]C[6]Pt)(N[6]C[5,6])(H){1|C<3>,2|N<3>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6]){1|Pt<4>,2|H<1>,2|N<3>}	112.0260	0.000	1	110.5290	0.953	7	110.6392	0.980	10	110.6392	0.980	10	114.6587	6.833	126	114.9027	7.113	138
914	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:	3:2:1:	3:3:2:	C[5,6]-3:C[6]-3:	N[6]-3:N[6]-2:H-1:	C[5,6]-3:N[5]-3:N[6]-2:	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]H)	C[6](N[6]C[6]Pt)(N[6]C[5,6])(H)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6])	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]H){1|Pt<6>,1|C<4>,1|N<3>,2|C<3>}	C[6](N[6]C[6]Pt)(N[6]C[5,6])(H){1|C<3>,2|N<3>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6]){1|Pt<6>,2|H<1>,2|N<3>}	110.2795	0.788	6	110.5290	0.953	7	110.6392	0.980	10	110.6392	0.980	10	114.6587	6.833	126	114.9027	7.113	138
914	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:	3:2:2:	3:2:2:	C[5,6]-3:C[6]-3:	C[6a]-3:N[6]-2:O[6]-2:	N[5,6]-3:N[6]-2:S[5]-2:	N[6](C[5,6]N[5,6]S[5])(C[6]C[6a]O[6])	C[6](C[6a]C[6a]2)(N[6]C[5,6])(O[6]B[6])	C[5,6](N[5,6]B[6]C[5])(N[6]C[6])(S[5]C[5])	N[6](C[5,6]N[5,6]S[5])(C[6]C[6a]O[6]){1|B<4>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[5,6])(O[6]B[6]){1|N<3>,1|S<2>,2|C<3>,2|F<1>,2|H<1>}	C[5,6](N[5,6]B[6]C[5])(N[6]C[6])(S[5]C[5]){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|F<1>}	116.2660	0.000	1	116.4303	0.096	9	116.4303	0.096	9	116.4008	0.118	22	114.6587	6.833	126	114.9027	7.113	138
914	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:	3:2:2:	3:2:2:	C[5,6]-3:C[6]-3:	C[6a]-3:N[6]-2:O[6]-2:	N[5,6]-3:N[6]-2:S[5]-2:	N[6](C[5,6]N[5,6]S[5])(C[6]C[6a]O[6])	C[6](C[6a]C[6a]2)(N[6]C[5,6])(O[6]B[6])	C[5,6](N[5,6]B[6]C[5])(N[6]C[6])(S[5]C[5])	N[6](C[5,6]N[5,6]S[5])(C[6]C[6a]O[6]){1|B<4>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[5,6])(O[6]B[6]){1|N<3>,1|S<2>,2|C<3>,2|F<1>,2|H<1>}	C[5,6](N[5,6]B[6]C[5])(N[6]C[6])(S[5]C[5]){1|C<3>,1|H<1>,1|I<1>,1|O<2>,2|F<1>}	116.4470	0.000	1	116.4303	0.096	9	116.4303	0.096	9	116.4008	0.118	22	114.6587	6.833	126	114.9027	7.113	138
914	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:	3:2:2:	3:2:2:	C[5,6]-3:C[6]-3:	C[6a]-3:N[6]-2:O[6]-2:	N[5,6]-3:N[6]-2:S[5]-2:	N[6](C[5,6]N[5,6]S[5])(C[6]C[6a]O[6])	C[6](C[6a]C[6a]2)(N[6]C[5,6])(O[6]B[6])	C[5,6](N[5,6]B[6]C[5])(N[6]C[6])(S[5]C[5])	N[6](C[5,6]N[5,6]S[5])(C[6]C[6a]O[6]){1|B<4>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[5,6])(O[6]B[6]){1|N<3>,1|S<2>,2|C<3>,2|F<1>,2|H<1>}	C[5,6](N[5,6]B[6]C[5])(N[6]C[6])(S[5]C[5]){1|C<3>,1|H<1>,1|O<2>,1|S<4>,2|F<1>}	116.3810	0.000	1	116.4303	0.096	9	116.4303	0.096	9	116.4008	0.118	22	114.6587	6.833	126	114.9027	7.113	138
914	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:	3:2:2:	3:2:2:	C[5,6]-3:C[6]-3:	C[6a]-3:N[6]-2:O[6]-2:	N[5,6]-3:N[6]-2:S[5]-2:	N[6](C[5,6]N[5,6]S[5])(C[6]C[6a]O[6])	C[6](C[6a]C[6a]2)(N[6]C[5,6])(O[6]B[6])	C[5,6](N[5,6]B[6]C[5])(N[6]C[6])(S[5]C[5])	N[6](C[5,6]N[5,6]S[5])(C[6]C[6a]O[6]){1|B<4>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[5,6])(O[6]B[6]){1|N<3>,1|S<2>,2|C<3>,2|F<1>,2|H<1>}	C[5,6](N[5,6]B[6]C[5])(N[6]C[6])(S[5]C[5]){1|C<3>,1|O<2>,2|C<4>,2|F<1>}	116.1250	0.000	1	116.4303	0.096	9	116.4303	0.096	9	116.4008	0.118	22	114.6587	6.833	126	114.9027	7.113	138
914	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:	3:2:2:	3:2:2:	C[5,6]-3:C[6]-3:	C[6a]-3:N[6]-2:O[6]-2:	N[5,6]-3:N[6]-2:S[5]-2:	N[6](C[5,6]N[5,6]S[5])(C[6]C[6a]O[6])	C[6](C[6a]C[6a]2)(N[6]C[5,6])(O[6]B[6])	C[5,6](N[5,6]B[6]C[5])(N[6]C[6])(S[5]C[5])	N[6](C[5,6]N[5,6]S[5])(C[6]C[6a]O[6]){1|B<4>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[5,6])(O[6]B[6]){1|N<3>,1|S<2>,2|C<3>,2|F<1>,2|H<1>}	C[5,6](N[5,6]B[6]C[5])(N[6]C[6])(S[5]C[5]){1|C<3>,1|O<2>,2|F<1>,2|H<1>}	116.4910	0.000	1	116.4303	0.096	9	116.4303	0.096	9	116.4008	0.118	22	114.6587	6.833	126	114.9027	7.113	138
914	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:	3:2:2:	3:2:2:	C[5,6]-3:C[6]-3:	C[6a]-3:N[6]-2:O[6]-2:	N[5,6]-3:N[6]-2:S[5]-2:	N[6](C[5,6]N[5,6]S[5])(C[6]C[6a]O[6])	C[6](C[6a]C[6a]2)(N[6]C[5,6])(O[6]B[6])	C[5,6](N[5,6]B[6]C[5])(N[6]C[6])(S[5]C[5])	N[6](C[5,6]N[5,6]S[5])(C[6]C[6a]O[6]){1|B<4>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[5,6])(O[6]B[6]){1|N<3>,1|S<2>,2|C<3>,2|F<1>,2|H<1>}	C[5,6](N[5,6]B[6]C[5])(N[6]C[6])(S[5]C[5]){1|C<4>,1|O<2>,2|C<3>,2|F<1>}	116.7270	0.000	1	116.4303	0.096	9	116.4303	0.096	9	116.4008	0.118	22	114.6587	6.833	126	114.9027	7.113	138
914	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:	3:2:2:	3:2:2:	C[5,6]-3:C[6]-3:	C[6a]-3:N[6]-2:O[6]-2:	N[5,6]-3:N[6]-2:S[5]-2:	N[6](C[5,6]N[5,6]S[5])(C[6]C[6a]O[6])	C[6](C[6a]C[6a]2)(N[6]C[5,6])(O[6]B[6])	C[5,6](N[5,6]B[6]C[5])(N[6]C[6])(S[5]C[5])	N[6](C[5,6]N[5,6]S[5])(C[6]C[6a]O[6]){1|B<4>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[5,6])(O[6]B[6]){1|N<3>,1|S<2>,2|C<3>,2|F<1>,2|H<1>}	C[5,6](N[5,6]B[6]C[5])(N[6]C[6])(S[5]C[5]){1|H<1>,1|O<2>,2|C<3>,2|F<1>}	116.4787	0.521	3	116.4303	0.096	9	116.4303	0.096	9	116.4008	0.118	22	114.6587	6.833	126	114.9027	7.113	138
914	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:	3:2:2:	3:2:2:	C[5,6]-3:C[6]-3:	C[6a]-3:N[6]-2:O[6]-2:	N[5,6]-3:S[5]-2:N[6]-2:	N[6](C[5,6]N[5,6]S[5])(C[6]C[6a]O[6])	C[6](C[6a]C[6a]2)(N[6]C[5,6])(O[6]B[6])	C[5,6](N[5,6]C[5,6a]B[6])(S[5]C[5,6a])(N[6]C[6])	N[6](C[5,6]N[5,6]S[5])(C[6]C[6a]O[6]){1|B<4>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[5,6])(O[6]B[6]){1|N<3>,1|S<2>,2|C<3>,2|F<1>,2|H<1>}	C[5,6](N[5,6]C[5,6a]B[6])(S[5]C[5,6a])(N[6]C[6]){1|O<2>,2|F<1>,3|C<3>}	116.3804	0.376	13	116.3804	0.141	13	116.3804	0.141	13	116.4008	0.118	22	114.6587	6.833	126	114.9027	7.113	138
914	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:	3:2:2:	3:3:2:	C[5,6]-3:C[6]-3:	N[5a]-3:N[6]-2:N[6]-2:	N[5,6]-3:N[5]-3:N[6]-2:	N[6](C[5,6]N[5,6]N[5])(C[6]N[5a]N[6])	C[6](N[5a]C[5a]2)(N[6]C[5,6])(N[6]C[6,6])	C[5,6](N[5,6]C[6,6]C[5])(N[5]C[5]C)(N[6]C[6])	N[6](C[5,6]N[5,6]N[5])(C[6]N[5a]N[6]){2|C<3>,4|C<4>}	C[6](N[5a]C[5a]2)(N[6]C[5,6])(N[6]C[6,6]){1|N<2>,2|H<1>,2|N<3>,3|C<3>}	C[5,6](N[5,6]C[6,6]C[5])(N[5]C[5]C)(N[6]C[6]){1|N<2>,1|N<3>,2|C<3>,4|H<1>}	110.6650	0.000	1	110.6650	0.000	1	110.6650	0.000	1	113.9740	12.347	4	114.6587	6.833	126	114.9027	7.113	138
914	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:	3:2:2:	3:3:2:	C[5,6]-3:C[6]-3:	N[6]-3:N[6]-2:N-2:	N[5,6]-3:N[5]-3:N[6]-2:	N[6](C[5,6]N[5,6]N[5])(C[6]N[6]N)	C[6](N[6]C[6a]C[6])(N[6]C[5,6])(NC[6a])	C[5,6](N[5,6]C[5]C[6])(N[5]C[5]C)(N[6]C[6])	N[6](C[5,6]N[5,6]N[5])(C[6]N[6]N){2|C<4>,3|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[5,6])(NC[6a]){1|S<1>,2|C<3>,2|N<3>}	C[5,6](N[5,6]C[5]C[6])(N[5]C[5]C)(N[6]C[6]){1|N<2>,1|N<3>,1|S<1>,4|H<1>}	117.0110	0.000	2	117.0110	0.000	2	117.0110	0.000	2	113.9740	12.347	4	114.6587	6.833	126	114.9027	7.113	138
914	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:	3:2:2:	3:3:2:	C[5,6]-3:C[6]-3:	N[6]-3:N[6]-2:S-2:	C[5,6]-3:N[5]-3:N[6]-2:	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]S)	C[6](N[6]C[6]Sn)(N[6]C[5,6])(SSn)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]H)(N[6]C[6])	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]S){1|Sn<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6]Sn)(N[6]C[5,6])(SSn){1|C<3>,1|N<3>,1|S<2>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]H)(N[6]C[6]){1|Sn<5>,1|H<1>,1|N<3>,2|S<2>}	111.2090	0.000	1	111.2090	0.000	1	111.2090	0.000	1	113.9740	12.347	4	114.6587	6.833	126	114.9027	7.113	138
914	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:	3:2:3:	4:2:2:	C[5,6]-3:C[6]-3:	C[6a]-3:N[6]-2:C[6]-3:	C[5,6]-4:N[6]-2:O[5]-2:	N[6](C[5,6]C[5,6]O[5])(C[6]C[6a]C[6])	C[6](C[6a]C[6a]2)(N[6]C[5,6])(C[6]C[6]H)	C[5,6](C[5,6]C[6a]C[6]N[5])(N[6]C[6])(O[5]C[5])	N[6](C[5,6]C[5,6]O[5])(C[6]C[6a]C[6]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[5,6])(C[6]C[6]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6a]C[6]N[5])(N[6]C[6])(O[5]C[5]){1|C<4>,1|H<1>,5|C<3>}	113.1560	0.000	1	113.1560	0.000	1	113.1560	0.000	1	113.1560	0.000	1	114.6587	6.833	126	114.9027	7.113	138
914	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:	3:4:2:	4:3:2:	C[5,6]-3:C[6]-3:	C-3:C[6]-4:N[6]-2:	C[5,6]-4:C[5]-3:N[6]-2:	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)	C[6](CC[5a]C[6a])(C[6]O[6]HO)(N[6]C[5,6])	C[5,6](C[5,6]C[5,6a]O[6]H)(C[5]C[5,6a]C[5a])(N[6]C[6])	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]C){2|H<1>,2|O<2>,3|C<3>}	C[6](CC[5a]C[6a])(C[6]O[6]HO)(N[6]C[5,6]){1|C<3>,1|C<4>}	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>}	115.4040	0.000	1	115.4040	0.000	1	115.4040	0.000	1	115.4040	0.000	1	114.6587	6.833	126	114.9027	7.113	138
914	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:	4:2:1:	3:3:2:	C[5,6]-3:C[6]-3:	C[5,6,6]-4:N[6]-2:O-1:	N[5,6]-3:N[5]-3:N[6]-2:	N[6](C[5,6]N[5,6]N[5])(C[6]C[5,6,6]O)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(N[6]C[5,6])(O)	C[5,6](N[5,6]C[5,6,6]C[5])(N[5]C[6a]N[5])(N[6]C[6])	N[6](C[5,6]N[5,6]N[5])(C[6]C[5,6,6]O){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(N[6]C[5,6])(O){1|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[5,6](N[5,6]C[5,6,6]C[5])(N[5]C[6a]N[5])(N[6]C[6]){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	115.9073	0.205	3	115.9073	0.042	3	115.9073	0.042	3	115.9073	0.042	3	114.6587	6.833	126	114.9027	7.113	138